Counterfactual reasoning has emerged as a crucial technique for generalizing the reasoning capabilities of large language models (LLMs). By generating and analyzing counterfactual scenarios, researchers can assess the adaptability and reliability of model decision-making. Although prior work has shown that LLMs often struggle with counterfactual reasoning, it remains unclear which factors most significantly impede their performance across different tasks and modalities. In this paper, we propose a decompositional strategy that breaks down the counterfactual generation from causality construction to the reasoning over counterfactual interventions. To support decompositional analysis, we investigate 11 datasets spanning diverse tasks, including natural language understanding, mathematics, programming, and vision-language tasks. Through extensive evaluations, we characterize LLM behavior across each decompositional stage and identify how modality type and intermediate reasoning influence performance. By establishing a structured framework for analyzing counterfactual reasoning, this work contributes to the development of more reliable LLM-based reasoning systems and informs future elicitation strategies.

Learning causal structures from temporal data is fundamental to many practical tasks, such as physical laws discovery and root causes localization. Real-world systems often exhibit long-term carry-over effects, where the value of a variable at the current time can be influenced by distant past values of other variables. These effects, due to their large temporal span, are challenging to observe or model. Existing methods typically consider finite lag orders, which may lead to confounding from early historical data. Moreover, incorporating historical information often results in computational scalability issues. In this paper, we establish a theoretical framework for causal discovery in complex temporal scenarios where observational data exhibit long-term carry-over effect, and propose LEVER, a theoretically guaranteed novel causal discovery method for incomplete temporal data. Specifically, based on the \textit{Limited-history Causal Identifiability Theorem}, we refine the variable values at each time step with data at a few preceding steps to mitigate long-term historical influences. Furthermore, we establish a theoretical connection between QR decomposition and causal discovery, and design an efficient reinforcement learning process to determine the optimal variable ordering. Finally, we recover the causal structure from the R matrix. We evaluate LEVER on both synthetic and real-world datasets. In static cases, LEVER reduces SHD by 17.29\%-40.00\% and improves the F1-score by 5.30\%-8.79\% compared to the best baseline. In temporal cases, it achieves a 64\% reduction in SHD and a 45\% improvement in F1-score. Additionally, LEVER demonstrates significantly higher precision on real-world data compared to baseline methods.

Causal discovery with latent variables is a fundamental task. Yet most existing methods rely on strong structural assumptions, such as enforcing specific indicator patterns for latents or restricting how they can interact with others. We argue that a core obstacle to a general, structural-assumption-free approach is the lack of an equivalence characterization: without knowing what can be identified, one generally cannot design methods for how to identify it. In this work, we aim to close this gap for linear non-Gaussian models. We establish the graphical criterion for when two graphs with arbitrary latent structure and cycles are distributionally equivalent, that is, they induce the same observed distribution set. Key to our approach is a new tool, edge rank constraints, which fills a missing piece in the toolbox for latent-variable causal discovery in even broader settings. We further provide a procedure to traverse the whole equivalence class and develop an algorithm to recover models from data up to such equivalence. To our knowledge, this is the first equivalence characterization with latent variables in any parametric setting without structural assumptions, and hence the first structural-assumption-free discovery method. Code and an interactive demo are available at https://equiv.cc.

We investigate theoretical guarantees for the \emph{false-negative rate} (FNR)—the fraction of true causal edges whose orientation is not recovered, under single-variable random interventions and an $\epsilon$-interventional faithfulness assumption that accommodates latent confounding. For sparse Erdős--Rényi directed acyclic graphs, where the edge probability scales as $p_e = \Theta(1/d)$, we show that the FNR concentrates around its mean at rate $O\bigl(\tfrac{\log d}{\sqrt d}\bigr)$, implying that large deviations above the expected error become exponentially unlikely as dimensionality increases. This concentration ensures that derived upper bounds hold with high probability in large-scale settings. Extending the analysis to generalized Barabási--Albert graphs reveals an even stronger phenomenon: when the degree exponent satisfies $\gamma > 3$, the deviation width scales as $O\bigl(d^{\beta - \frac{1}{2}}\bigr)$ with $\beta = 1/(\gamma - 1) < \frac{1}{2}$, and hence vanishes in the limit. This demonstrates that heterogeneous, heavy-tailed degree structures commonly observed in empirical networks can intrinsically regularize causal discovery by reducing variability in orientation error. These finite-dimension results provide the first dimension-adaptive, faithfulness-robust guarantees for causal structure recovery, and challenge the intuition that high dimensionality and network heterogeneity necessarily hinder accurate discovery. Our simulation results corroborate these theoretical predictions, showing that the FNR indeed concentrates and often vanishes in practice as dimensionality grows.

A/B testing on platforms often faces challenges from network interference, where a unit's outcome depends not only on its own treatment but also on the treatments of its network neighbors. To address this, cluster-level randomization has become standard, enabling the use of network-aware estimators. These estimators typically trim the data to retain only a subset of informative units, achieving low bias under suitable conditions but often suffering from high variance. In this paper, we first demonstrate that the interior nodes—units whose neighbors all lie within the same cluster—constitute the vast majority of the post-trimming subpopulation. In light of this, we propose directly averaging over the interior nodes to construct the mean-in-interior (MII) estimator, which circumvents the delicate reweighting required by existing network-aware estimators and substantially reduces variance in classical settings. However, we show that interior nodes are often not representative of the full population, particularly in terms of network-dependent covariates, leading to notable bias. We then augment the MII estimator with a counterfactual predictor trained on the entire network, allowing us to adjust for covariate distribution shifts between the interior nodes and full population. By rearranging the expression, we reveal that our augmented MII estimator embodies an analytical form of the point estimator within prediction-powered inference framework~\citep{angelopoulos2023prediction,angelopoulos2023ppi++}. This insight motivates a semi-supervised lens, wherein interior nodes are treated as labeled data subject to selection bias. Extensive and challenging simulation studies demonstrate the outstanding performance of our augmented MII estimator across various settings.

The conditional average treatment effect (CATE) is widely used in personalized medicine to inform therapeutic decisions. However, state-of-the-art methods for CATE estimation (so-called meta-learners) often perform poorly in the presence of low overlap. In this work, we introduce a new approach to tackle this issue and improve the performance of existing meta-learners in the low-overlap regions. Specifically, we introduce Overlap-Adaptive Regularization (OAR) that regularizes target models proportionally to overlap weights so that, informally, the regularization is higher in regions with low overlap. To the best of our knowledge, our OAR is the first approach to leverage overlap weights in the regularization terms of the meta-learners. Our OAR approach is flexible and works with any existing CATE meta-learner: we demonstrate how OAR can be applied to both parametric and non-parametric second-stage models. Furthermore, we propose debiased versions of our OAR that preserve the Neyman-orthogonality of existing meta-learners and thus ensure more robust inference. Through a series of (semi-)synthetic experiments, we demonstrate that our OAR significantly improves CATE estimation in low-overlap settings in comparison to constant regularization.

Why do reinforcement learning (RL) policies fail or succeed? This is a challenging question due to the complex, high-dimensional nature of agent-environment interactions. We take a causal perspective on explaining the global behavior of RL policies by viewing the states, actions, and rewards as variables in a low-level causal model. We introduce random perturbations to policy actions during execution and observe their effects on the cumulative reward, learning a simplified high-level causal model that explains these relationships. To this end, we develop a nonlinear Causal Model Reduction framework that ensures approximate interventional consistency, i.e., the simplified high-level model responds to interventions in a way consistent with the original complex system. We prove that for a class of nonlinear causal models, there exists a unique solution that achieves exact interventional consistency, ensuring learned explanations reflect meaningful causal patterns. Experiments on both synthetic causal models and practical RL tasks—including pendulum control and robot table tennis—demonstrate that our approach can uncover important behavioral patterns, biases, and failure modes in trained RL policies.

Unmeasured confounding is a fundamental obstacle to causal inference from observational data. Latent-variable methods address this challenge by imputing unobserved confounders, yet many lack explicit model-based identification guarantees and are difficult to extend to richer causal structures. We propose Confounder Imputation with Stochastic Neural Networks (CI-StoNet), which parameterizes the conditional structure of a causal directed acyclic graph using a stochastic neural network and imputes latent confounders via adaptive stochastic-gradient Hamiltonian Monte Carlo. Under SUTVA and overlap, and assuming that the structural components of the data-generating process are well approximated by a capacity-controlled sparse deep neural network class, we establish model identification and consistent estimation of the mean potential outcome under a fixed intervention within this class. Although the latent confounder is identifiable only up to reparameterizations that preserve the joint treatment–outcome distribution, the causal estimand is invariant across this observationally equivalent class. We further characterize the effect of overlap on estimation accuracy. Empirical results on simulated and benchmark datasets demonstrate accurate performance, and the framework extends naturally to proxy-variable and multiple-cause settings with overlap diagnostics and bootstrap-based uncertainty quantification.

Off-Policy Evaluation (OPE) is an important practical problem in algorithmic ranking systems, where the goal is to estimate the expected performance of a new ranking policy using only offline logged data collected under a different, logging policy. Existing estimators, such as the ranking-wise and position-wise inverse propensity score (IPS) estimators, require the data collection policy to be sufficiently stochastic and suffer from severe bias when the logging policy is deterministic. In this paper, we propose novel estimators, Click-based Inverse Propensity Score (CIPS) and Click-based Doubly Robust (CDR), which exploit the intrinsic stochasticity of user click behavior to address this challenge. Unlike existing methods that rely on the stochasticity of the logging policy, our approach uses click probability as a new form of importance weighting, enabling low-bias OPE even under deterministic logging policies where existing methods incur substantial bias. We provide theoretical analyses of the bias and variance properties of the proposed estimators and show, through synthetic and real-world experiments, that our estimators achieve significantly lower bias compared to strong baselines, particularly in settings with completely deterministic logging policies.

Tensor-based incomplete multi-view clustering has attracted significant research attention due to its capability to exploit high-order correlations across different views for revealing underlying cluster structures from partially observed multi-view data. However, most existing approaches construct tensors from adjacency matrices, which necessitate post-processing operations (e.g., singular value decomposition, SVD) and thereby introduce additional computational overhead and potential errors. Some approaches instead employ latent embedding tensors to avoid post-processing, but they often fail to capture the geometric structure of the underlying graph. To address these limitations, we propose **C**onst**A**nt degree **M**trix-driv**E**n incomp**L**ete multi-view clustering via connectivity-structure and embedding tensor learning (**CAMEL**). Specifically, CAMEL jointly learns view-specific latent embeddings under structured constraints and organizes them into a tensor with an ${\ell_{\delta}}$ low-rank constraint, thereby enabling coordinated optimization of graph connectivity and high-order correlations. To further mitigate the $\mathcal{O}(n^2)$ or ever higher complexity complexity associated with conventional connectivity constraints, CAMEL approximates the variable Laplacian degree matrix with a constant-degree matrix, reducing the computational cost to $\mathcal{O}(1)$. Clustering assignments are subsequently derived via $k$-means on the concatenated embeddings, eliminating the need for post-processing operations on adjacency matrices such as SVD. Extensive experiments on nine benchmark datasets demonstrate the superior effectiveness and efficiency of CAMEL.

Next token prediction has been the standard training objective used in large language model pretraining. Representations are learned as a result of optimizing for token-level perplexity. We propose Continuous Concept Mixing (CoCoMix), a novel pretraining framework that combines discrete next token prediction with continuous concepts. Specifically, CoCoMix predicts ``continuous concepts'' learned from a pretrained sparse autoencoder and mixes them into the model's hidden state by interleaving with token hidden representations. Through experiments on multiple benchmarks, including language modeling and downstream reasoning tasks, we show that CoCoMix is more sample efficient and consistently outperforms standard next token prediction and knowledge distillation. We find that combining both concept learning and interleaving in an end-to-end framework is critical to performance gains. Furthermore, CoCoMix enhances interpretability and steerability by allowing direct inspection and modification of the predicted concept, offering a transparent way to guide the model’s internal reasoning process.

Physical reasoning is a remarkable human ability that enables rapid learning and generalization from limited experience. Current AI models, despite extensive training, still struggle to achieve similar generalization, especially in Out-of-distribution (OOD) settings. This limitation stems from their inability to abstract core physical principles from observations. A key challenge is developing representations that can efficiently learn and generalize physical dynamics from minimal data. Here we present Neural Force Field (NFF), a framework extending Neural Ordinary Differential Equation (NODE) to learn complex object interactions through force field representations, which can be efficiently integrated through an Ordinary Differential Equation ( ODE) solver to predict object trajectories. Unlike existing approaches that rely on discrete latent spaces, NFF captures fundamental physical concepts such as gravity, support, and collision in continuous explicit force fields. Experiments on three challenging physical reasoning tasks demonstrate that NFF, trained with only a few examples, achieves strong generalization to unseen scenarios. This physics-grounded representation enables efficient forward-backward planning and rapid adaptation through interactive refinement. Our work suggests that incorporating physics-inspired representations into learning systems can help bridge the gap between artificial and human physical reasoning capabilities.

High-dimensional data visualization (HDV) plays an important role in data science and engineering applications. Traditional HDV methods, such as Autoencoder and t-SNE, require hyper-parameter tuning and iterative optimization on every dataset and cannot effectively utilize the knowledge from historical low-dimension representation, which lowers the efficiency, convenience, and accuracy in real applications. In this paper, we present AutoDV, an end-to-end deep learning model, for high-dimensional data visualization. AutoDV is built upon a graph transformer network and an invariant loss function and is trained on a number of diverse datasets converted into multi-weight graphs. Given a new dataset, AutoDV outputs the 2D or 3D embeddings of all data points directly. AutoDV has the following merits: 1) There is no hyper-parameter selection during the data visualization stage; 2) The end-to-end model avoids re-training or iterative optimization when visualizing data; 3) The input dataset can have any number of features and can be from any domain. Our experiments show that AutoDV can successfully generalize to unseen datasets without retraining with 89.37\% precision of t-SNE and 91.05\% precision of UMAP on the unseen CIFAR10 datasets. Compared with existing parametric data visualization deep models, our method obtains a significant improvement with 86.65\% precision gain. AutoDV can perform even better than t-SNE and UMAP on gene and UCI tabular datasets. The project is available at https://github.com/DryDew/AutoDV.

Continual Learning (CL) with large-scale pre-trained models (PTMs) has recently gained wide attention, shifting the focus from training from scratch to continually adapting PTMs. This has given rise to a promising paradigm: parameter-efficient continual learning (PECL), where task interference is typically mitigated by assigning a task-specific module during training, such as low-rank adapters. However, weight regularization techniques, such as Elastic Weight Consolidation (EWC)-a key strategy in CL-remain underexplored in this new paradigm. In this paper, we revisit weight regularization in low-rank CL as a new perspective for mitigating task interference in PECL. Unlike existing low-rank CL methods, we mitigate task interference by regularizing a shared low-rank update through EWC, thereby keeping the storage requirement and inference costs constant regardless of the number of tasks. Our proposed method EWC-LoRA leverages a low-rank representation to estimate parameter importance over the full-dimensional space. This design offers a practical, computational- and memory-efficient solution for CL with PTMs, and provides insights that may inform the broader application of regularization techniques within PECL. Extensive experiments on various benchmarks demonstrate the effectiveness of EWC-LoRA, achieving a stability-plasticity trade-off superior to existing low-rank CL approaches. These results indicate that, even under low-rank parameterizations, weight regularization remains an effective mechanism for mitigating task interference. Code is available at: https://github.com/yaoyz96/low-rank-cl

Neural Radiance Fields (NeRFs) have emerged as a groundbreaking paradigm for representing 3D objects and scenes by encoding shape and appearance information into the weights of a neural network. Recent studies have demonstrated that these weights can be used as input for frameworks designed to address deep learning tasks; however, such frameworks require NeRFs to adhere to a specific, predefined architecture. In this paper, we introduce the first framework capable of processing NeRFs with diverse architectures and performing inference on architectures unseen at training time. We achieve this by training a Graph Meta-Network within an unsupervised representation learning framework, and show that a contrastive objective is conducive to obtaining an architecture-agnostic latent space. In experiments conducted across 13 NeRF architectures belonging to three families (MLPs, tri-planes, and, for the first time, hash tables), our approach demonstrates robust performance in classification, retrieval, and language tasks involving multiple architectures, even unseen at training time, while also matching or exceeding the results of existing frameworks limited to single architectures. Our code and data are available at this https URL.

Existing large language model (LLM)-based embeddings typically adopt an encoder-only paradigm, treating LLMs as static feature extractors and overlooking their core gener- ative strengths. We introduce GIRCSE (Generative Iterative Refinement for Contrastive Sentence Embeddings), a novel framework that leverages autoregressive generation to iter- atively refine semantic representations. By producing sequences of soft tokens optimized under a contrastive objective, GIRCSE captures latent concepts and implicit semantics that encoder-only methods often miss. To guide this process, we propose an Iterative Contrastive Refinement (ICR) objective that encourages each refinement step to yield bet- ter representations. Extensive experiments show that GIRCSE outperforms strong LLM- based embedding baselines on the MTEB embedding benchmark. Moreover, GIRCSE ex- hibits an emergent test-time scaling property: generating more tokens at inference steadily improves embedding quality. Our results establish generative iterative refinement as a new paradigm for representation learning.

Federated multi-task learning (FMTL) seeks to collaboratively train customized models for users with different tasks while preserving data privacy. Most existing approaches assume model congruity (i.e., the use of fully or partially homogeneous models) across users, which limits their applicability in realistic settings. To overcome this limitation, we aim to learn a shared representation space across tasks rather than shared model parameters. To this end, we propose Muscle loss, a novel contrastive learning objective that simultaneously aligns representations from all participating models. Unlike existing multi-view or multi-model contrastive methods, which typically align models pairwise, Muscle loss can effectively capture dependencies across tasks because its minimization is equivalent to the maximization of mutual information among all the models' representations. Building on this principle, we develop FedMuscle, a practical and communication-efficient FMTL algorithm that naturally handles both model and task heterogeneity. Experiments on diverse image and language tasks demonstrate that FedMuscle consistently outperforms state-of-the-art baselines, delivering substantial improvements and robust performance across heterogeneous settings.

Learning from structured multi-way data, represented as higher-order tensors, requires capturing complex interactions across tensor modes while remaining computationally efficient. We introduce Uncertainty-driven Kernel Tensor Learning (UKTL), a novel kernel framework for $M$-mode tensors that compares mode-wise subspaces derived from tensor unfoldings, enabling expressive and robust similarity measures. To handle large-scale tensor data, we propose a scalable Nystr\"{o}m kernel linearization with dynamically learned pivot tensors obtained via soft $k$-means clustering. A key innovation of UKTL is its uncertainty-aware subspace weighting, which adaptively down-weights unreliable mode components based on estimated confidence, improving robustness and interpretability in comparisons between input and pivot tensors. Our framework is fully end-to-end trainable and naturally incorporates both multi-way and multi-mode interactions through structured kernel compositions. Extensive evaluations on action recognition benchmarks (NTU-60, NTU-120, Kinetics-Skeleton) show that UKTL achieves state-of-the-art performance, superior generalization, and meaningful mode-wise insights. This work establishes a principled, scalable, and interpretable kernel learning paradigm for structured multi-way and multi-modal tensor sequences.

Vector embeddings have been tasked with an ever-increasing set of retrieval tasks over the years, with a nascent rise in using them for reasoning, instruction-following, coding, and more. These new benchmarks push embeddings to work for any query and any notion of relevance that could be given. While prior works have pointed out theoretical limitations of vector embeddings, there is a common assumption that these difficulties are exclusively due to unrealistic queries, and those that are not can be overcome with better training data and larger models. In this work, we demonstrate that we may encounter these theoretical limitations in realistic settings with extremely simple queries. We connect known results in learning theory, showing that the number of top-k subsets of documents capable of being returned as the result of some query is limited by the dimension of the embedding. We empirically show that this holds true even if we directly optimize on the test set with free parameterized embeddings. We then create a realistic dataset called LIMIT that stress tests models based on these theoretical results, and observe that even state-of-the-art models fail on this dataset despite the simple nature of the task. Our work shows the limits of embedding models under the existing single vector paradigm and calls for future research to develop methods that can resolve this fundamental limitation.

Using a nearly-frozen pretrained model, the continual representation learning paradigm reframes parameter updates as a similarity-matching problem to mitigate catastrophic forgetting. However, directly leveraging pretrained features for downstream tasks often suffers from multicollinearity in the similarity-matching stage, and more advanced methods can be computationally prohibitive for real-time, low-latency applications. Inspired by the fly olfactory circuit, we propose Fly-CL, a bio-inspired framework compatible with a wide range of pretrained backbones. Fly-CL substantially reduces training time while achieving performance comparable to or exceeding that of current state-of-the-art methods. We theoretically show how Fly-CL progressively resolves multicollinearity, enabling more effective similarity matching with low time complexity. Extensive simulation experiments across diverse network architectures and data regimes validate Fly-CL’s effectiveness in addressing this challenge through a biologically inspired design. Code is available at https://github.com/gfyddha/Fly-CL.

Dense retrievers play a vital role in accessing external and specialized knowledge to augment language models (LMs). Training dense retrievers typically requires annotated query-document pairs, which are costly to create and scarce in specialized domains (e.g., code) or in complex settings (e.g., requiring reasoning). These practical challenges have sparked growing interest in self-supervised retriever learning. Since LMs are trained to capture token-level dependencies through a self-supervised learning objective (i.e., next token prediction), we can analogously cast retrieval as learning dependencies among chunks of tokens. This analogy naturally leads to the question: How can we adapt self‑supervised learning objectives in the spirit of language modeling to train retrievers? To answer this question, we introduce Revela, a unified and scalable training framework for self-supervised retriever learning via language modeling. Revela models semantic dependencies among documents by conditioning next token prediction on local and cross-document context through an in-batch attention mechanism. This attention is weighted by retriever-computed similarity scores, enabling the retriever to be optimized as part of language modeling. We evaluate Revela on domain-specific (CoIR), reasoning-intensive (BRIGHT), and general-domain (BEIR) benchmarks across various retriever backbones. Without annotated or synthetic query-document pairs, Revela surpasses larger supervised models and proprietary APIs on both CoIR and BRIGHT. It achieves BEIR's unsupervised SoTA with ~1000x less training data and 10x less compute. Performance increases with batch size and model size, highlighting Revela's scalability and its promise for self‑supervised retriever learning.

Mainstream Test-Time Adaptation (TTA) methods for adapting vision-language models, e.g., CLIP, typically rely on Shannon Entropy (SE) at test time to measure prediction uncertainty and inconsistency. However, since CLIP has a built-in bias from pretraining on highly imbalanced web-crawled data, SE inevitably results in producing biased estimates of uncertainty entropy. To address this issue, we notably find and demonstrate that Tsallis Entropy (TE), a generalized form of SE, is naturally suited for characterizing biased distributions by introducing a non-extensive parameter q, with the performance of SE serving as a lower bound for TE. Building upon this, we generalize TE into Adaptive Debiasing Tsallis Entropy (ADTE) for TTA, customizing a class-specific parameter q^l derived by normalizing the estimated label bias from continuously incoming test instances, for each category. This adaptive approach allows ADTE, even without hyperparameter tuning required by TE, to accurately select high-confidence views and seamlessly integrate with label adjustment strategy to enhance adaptation. Besides, our investigation reveals that both TE and ADTE can serve as direct, advanced alternatives to SE in TTA, without any other modifications. Experimental results show that ADTE outperforms state-of-the-art methods on ImageNet and its five variants, and achieves the highest average performance on 10 cross-domain benchmarks, regardless of the model architecture or text prompts used. Our code is available at https://anonymous.4open.science/r/TTA-Entropy.

The development of autonomous agents for complex, long-horizon tasks is a central goal in AI. However, dominant training paradigms face a critical limitation: reinforcement learning (RL) methods that optimize solely for final task success often reinforce flawed or inefficient reasoning paths, a problem we term inefficient exploration. This leads to agents that are brittle and fail to generalize, as they learn to find solutions without learning how to reason coherently. To address this, we introduce RLVMR, a novel frame-work that integrates dense, process-level supervision into end-to-end RL by rewarding verifiable, meta-reasoning behaviors. RLVMR equips an agent to explicitly tag its cognitive steps—such as planning, exploration, and reflection—and provides program-matic, rule-based rewards for actions that contribute to effective problem-solving. These process-centric rewards are combined with the final outcome signal and optimized using a critic-free policy gradient method. On the challenging ALFWorld and ScienceWorld benchmarks, RLVMR achieves new state-of-the-art results, with our 7B model reaching an 83.6% success rate on the most difficult unseen task split. Our analysis confirms these gains stem from improved reasoning quality, including significant reductions in redundant actions and enhanced error recovery, leading to more robust, efficient, and interpretable agents.

Evaluating tabular generators remains a challenging problem, as the unique causal structural prior of heterogeneous tabular data does not lend itself to intuitive human inspection. Recent work has introduced structural fidelity as a tabular-specific evaluation dimension to assess whether synthetic data complies with the causal structures of real data. However, existing benchmarks often neglect the interplay between structural fidelity and conventional evaluation dimensions, thus failing to provide a holistic understanding of model performance. Moreover, they are typically limited to toy datasets, as quantifying existing structural fidelity metrics requires access to ground-truth causal structures, which are rarely available for real-world datasets. In this paper, we propose a novel evaluation framework that jointly considers structural fidelity and conventional evaluation dimensions. We introduce a new evaluation metric, global utility, which enables the assessment of structural fidelity even in the absence of ground-truth causal structures. In addition, we present TabStruct, a comprehensive evaluation benchmark offering large-scale quantitative analysis on 13 tabular generators from nine distinct categories, across 29 datasets. Our results demonstrate that global utility provides a task-independent, domain-agnostic lens for tabular generator performance. We release the TabStruct benchmark suite, including all datasets, evaluation pipelines, and raw results. Code is available at https://github.com/SilenceX12138/TabStruct.

Contrastive learning has achieved remarkable success in self-supervised representation learning, often guided by information-theoretic objectives such as mutual information maximization. Motivated by the limitations of static augmentations and rigid invariance constraints, we propose IE-CL (Incremental-Entropy Contrastive Learning), a framework that explicitly optimizes the entropy gain between augmented views while preserving semantic consistency. Our theoretical framework reframes the challenge by identifying the encoder as an information bottleneck and proposes a joint optimization of two components: a learnable transformation for entropy generation and an encoder regularizer for its preservation. Experiments on CIFAR-10/100, STL-10, and ImageNet demonstrate that IE-CL consistently improves performance under small-batch settings. Moreover, our core modules can be seamlessly integrated into existing frameworks. This work bridges theoretical principles and practice, offering a new perspective in contrastive learning.

Hyperbolic Neural Networks (HNNs) have shown remarkable success in representing hierarchical and tree-like structures, yet most existing work relies on the Poincaré ball and hyperboloid models. While these models admit closed-form Riemannian operators, their constrained nature potentially leads to numerical instabilities, especially near model boundaries. In this work, we explore the Proper Velocity (PV) space, an unconstrained representation of hyperbolic space rooted in Einstein’s special relativity, as a stable alternative. We first establish the complete Riemannian toolkit of the PV space. Building on this foundation, we introduce Proper Velocity Neural Networks (PVNNs) with core layers including Multinomial Logistic Regression (MLR), Fully Connected (FC), convolutional, activation, and batch normalization layers. Extensive experiments across four tasks, namely numerical stability, image classification, graph node classification, and genomic sequence learning, demonstrate the stability and effectiveness of PVNNs. The code is available at https://github.com/NickyoyoSu/PVNN.

Translating human-written mathematical theorems and proofs from natural language (NL) into formal languages (FLs) like Lean 4 has long been a significant challenge for AI. Most state-of-the-art methods either focus on theorem-only NL-to-FL auto-formalization or on FL proof synthesis from FL theorems. In practice, auto-formalization of both theorem and proof still requires human intervention, as seen in AlphaProof’s silver-medal performance at the 2024 IMO, where problem statements were manually translated before automated proof synthesis. We present ProofBridge, a unified framework for automatically translating entire NL theorems and proofs into Lean 4. At its core is a joint embedding model that aligns NL and FL (NL-FL) theorem+proof pairs in a shared semantic space, enabling cross-modal retrieval of semantically relevant FL examples to guide translation. ProofBridge integrates retrieval-augmented fine-tuning with iterative proof repair, leveraging Lean’s type checker and semantic equivalence feedback to ensure both syntactic correctness and semantic fidelity. Experiments show substantial improvements in proof auto-formalization over strong baselines (including GPT-5, Gemini-2.5, Kimina-Prover, DeepSeek-Prover), with our retrieval-augmented approach yielding significant gains in semantic correctness (SC, via proving bi-directional equivalence) and type correctness (TC, via type-checking theorem+proof) across pass@k metrics on miniF2F-Test-PF, a dataset we curated. In particular, ProofBridge improves cross-modal retrieval quality by up to 3.28x Recall@1 over all-MiniLM-L6-v2, and achieves +31.14% SC and +1.64% TC (pass@32) compared to the baseline Kimina-Prover-RL-1.7B.

The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods.

Many learning problems require predicting sets of objects when the number of objects is not known beforehand. Examples include object detection, molecular modeling, and scientific inference tasks such as astrophysical source detection. Existing methods often rely on padded representations or must explicitly infer the set size, which often poses challenges. We present a novel strategy for addressing this challenge by casting prediction of variable-sized sets as a continuous inference problem. Our approach, CORDS (Continuous Representations of Discrete Structures), provides an invertible mapping that transforms a set of spatial objects into continuous fields: a density field that encodes object locations and count, and a feature field that carries their attributes over the same support. Because the mapping is invertible, models operate entirely in field space while remaining exactly decodable to discrete sets. We evaluate CORDS across molecular generation and regression, object detection, simulation-based inference, and a mathematical task involving recovery of local maxima, demonstrating robust handling of unknown set sizes with competitive accuracy.

In multimodal learning, CLIP has been recognized as the \textit{de facto} method for learning a shared latent space across multiple modalities, placing similar representations close to each other and moving them away from dissimilar ones. Although CLIP-based losses effectively align modalities at the semantic level, the resulting latent spaces often remain only partially shared, revealing a structural mismatch known as the modality gap. While the necessity of addressing this phenomenon remains debated, particularly given its limited impact on instance-wise tasks (e.g., retrieval), we prove that its influence is more pronounced in group-level tasks (e.g., clustering). To support this claim, we introduce a novel method designed to consistently reduce this discrepancy in two-modal settings, with a straightforward extension to the general $n$-modal case. Through our extensive evaluation, we prove our novel insight: while reducing the gap provides only marginal or inconsistent improvements in traditional instance-wise tasks, it significantly enhances group-wise tasks. These findings may reshape our understanding of the modality gap, highlighting its key role in improving performance on tasks requiring semantic grouping.

This paper focuses on Geodesic Principal Component Analysis (GPCA) on a collection of probability distributions using the Otto-Wasserstein geometry. The goal is to identify geodesic curves in the space of probability measures that best capture the modes of variation of the underlying dataset. We first address the case of a collection of Gaussian distributions, and show how to lift the computations in the space of invertible linear maps. For the more general setting of absolutely continuous probability measures, we leverage a novel approach to parameterizing geodesics in Wasserstein space with neural networks. Finally, we compare to classical tangent PCA through various examples and provide illustrations on real-world datasets.

With the increasing accessibility and utilization of multilingual documents, Cross-Lingual Information Retrieval (CLIR) has emerged as an important research area. Conventionally, CLIR tasks have been conducted under settings where the language of documents differs from that of queries, and typically, the documents are composed in a single coherent language. In this paper, we highlight that in such a setting, the cross-lingual alignment capability may not be evaluated adequately. Specifically, we observe that, in a document pool where English documents coexist with another language, most multilingual retrievers tend to prioritize unrelated English documents over the related document written in the same language as the query. To rigorously analyze and quantify this phenomenon, we introduce various scenarios and metrics designed to evaluate the cross-lingual alignment performance of multilingual retrieval models. Furthermore, to improve cross-lingual performance under these challenging conditions, we propose a novel training strategy aimed at enhancing cross-lingual alignment. Using only a small dataset consisting of 2.8k samples, our method significantly improves the cross-lingual retrieval performance while simultaneously mitigating the English inclination problem. Extensive analyses demonstrate that the proposed method substantially enhances the cross-lingual alignment capabilities of most multilingual embedding models.

Multimodal dataset distillation aims to construct compact synthetic datasets that enable efficient compression and knowledge transfer from large-scale image-text data. However, existing approaches often fail to capture the complex, dynamically evolving knowledge embedded in the later training stages of teacher models. This limitation leads to degraded student performance and compromises the quality of the distilled data. To address critical challenges such as pronounced cross-stage performance gaps and unstable teacher trajectories, we propose Phased Teacher Model with Shortcut Trajectory (PTM-ST)—a novel phased distillation framework. PTM-ST leverages stage-aware teacher modeling and a shortcut-based trajectory construction strategy to accurately fit the teacher’s learning dynamics across distinct training phases. This enhances both the stability and expressiveness of the distillation process. Through theoretical analysis and comprehensive experiments, we show that PTM-ST significantly mitigates optimization oscillations and inter-phase knowledge gaps, while also reducing storage overhead. Our method consistently surpasses state-of-the-art baselines on Flickr30k and COCO, achieving up to 13.5\% absolute improvement and an average gain of 9.53\% on Flickr30k. Code: \url{https://github.com/Previsior/PTM-ST}.

Separable neural networks (SepNNs) are emerging neural architectures that significantly reduce computational costs by factorizing a multivariate function into linear combinations of univariate functions, benefiting downstream applications such as implicit neural representations (INRs) and physics-informed neural networks (PINNs). However, fundamental theoretical analysis for SepNN, including detailed representation capacity and spectral bias characterization \& alleviation, remains unexplored. This work makes three key contributions to theoretically understanding and improving SepNN. First, using Weierstrass-based approximation and universal approximation theory, we prove that SepNN can approximate any multivariate function with arbitrary precision, confirming its representation completeness. Second, we derive the neural tangent kernel (NTK) regimes for SepNN, showing that the NTK of infinite-width SepNN converges to a deterministic (or random) kernel under infinite (or fixed) decomposition rank, with corresponding convergence and spectral bias characterization. Third, we propose an efficient separable preconditioned gradient descent (SepPGD) for optimizing SepNN, which alleviates the spectral bias of SepNN by provably adjusting its NTK spectrum. The SepPGD enjoys an efficient $\mathcal{O}(nD)$ complexity for $n^D$ training samples, which is much more efficient than previous neural network PGD methods. Extensive experiments for kernel ridge regression, image and surface representation using INRs, and numerical PDEs using PINNs validate the efficiency of SepNN and the effectiveness of SepPGD for alleviating spectral bias.

High-resolution imagery is often hindered by limitations in sensor technology, atmospheric conditions, and costs. Such challenges occur in satellite remote sensing, but also with handheld cameras, such as our smartphones. Hence, super-resolution aims to enhance the image resolution algorithmically. Since single-image super-resolution requires to solve an inverse problem, such methods must exploit strong priors, e.g. learned from high-resolution training data, or be constrained by auxiliary data, e.g. by a high-resolution guide from another modality. While qualitatively pleasing, such approaches often lead to "hallucinated" structures that do not match reality. In contrast, multi-image super-resolution (MISR) aims to improve the (optical) resolution by constraining the super-resolution process with multiple views taken with sub-pixel shifts. Here, we propose SuperF, a test-time optimization approach for MISR that leverages coordinate-based neural networks, also called neural fields. Their ability to represent continuous signals with an implicit neural representation (INR) makes them an ideal fit for the MISR task. The key characteristic of our approach is to share an INR for multiple shifted low-resolution frames and to jointly optimize the frame alignment with the INR. Our approach advances related INR baselines, adopted from burst fusion for layer separation, by directly parameterizing the sub-pixel alignment as optimizable affine transformation parameters and by optimizing via a super-sampled coordinate grid that corresponds to the output resolution. Our experiments yield compelling results on simulated bursts of satellite imagery and ground-level images from handheld cameras, with upsampling factors of up to 8. A key advantage of SuperF is that this approach does not rely on any high-resolution training data.

Humans navigate daily life by combining two modes of behavior: deliberate planning in novel situations and fast, automatic responses in familiar ones. Modeling human decision-making therefore requires capturing how people switch between these modes. We present a framework for learning human habits with rule-guided active inference, extending the view of the brain as a prediction machine that minimizes mismatches between expectations and observations, and computationally modeling of human(-like) behavior and habits. In our approach, habits emerge as symbolic rules that serve as compact, interpretable shortcuts for action. To learn these rules alongside the human models, we design a biologically inspired wake--sleep algorithm. In the wake phase, the agent engages in active inference on real trajectories: reconstructing states, updating beliefs, and harvesting candidate rules that reliably reduce free energy. In the sleep phase, the agent performs generative replay with its world model, refining parameters and consolidating or pruning rules by minimizing joint free energy. This alternating rule–model consolidation lets the agent build a reusable habit library while preserving the flexibility to plan. Experiments on basketball player movements, car-following behavior, medical diagnosis, and visual game strategy demonstrate that our framework improves predictive accuracy and efficiency compared to logic-based, deep learning, LLM-based, model-based RL, and prior active inference baselines, while producing interpretable rules that mirror human-like habits.

Knowledge editing methods (KEs) are a cost-effective way to update the factual content of large language models (LLMs), but they pose a dual-use risk. While KEs are beneficial for updating outdated or incorrect information, they can be exploited maliciously to implant misinformation or bias. In order to defend against these types of malicious manipulation, we need robust techniques that can reliably detect, interpret, and mitigate malicious edits. To that end, we introduce the tasks of tracing and reversing edits. We propose a novel method to infer the edited object entity, solely based on the modified weights, without access to the editing prompt or any other semantically similar prompts, with up to 99\% accuracy. Further, we propose an effective and training-free method for reversing edits. Our method reverses up to 94\% of the edits, and helps regain the original model's output distribution without access to any information about the edit. This method can further be repurposed to distinguish between edited and unedited weights. Our findings highlight the feasibility of tracing and reversing edits based on the edited weights, opening a new research direction for safeguarding LLMs against adversarial manipulations.

Concept Bottleneck Models (CBMs) achieve interpretability by interposing a human-understandable concept layer between perception and label prediction. We first identify that the condition of \textit{many-to-many} mapping is necessary for robust CBMs, a prerequisite that has been largely overlooked in previous approaches. While several recent methods have attempted to establish this relationship, we observe that they suffer from the fundamental issue of \textit{representation collapse}, where visual patch features degenerate into a low-rank subspace during training, severely degrading the quality of learned concept activation vectors, thus hindering both model interpretability and downstream performance. To address these issues, we propose Implicit Vector Quantization (IVQ), a lightweight regularizer that maintains high-rank, diverse representations throughout training. Rather than imposing a hard bottleneck via direct quantization, IVQ learns a codebook prior that anchors semantic information in visual features, allowing it to act as a proxy objective. To further exploit these high-rank concept-aware features, we propose Magnet Attention, which dynamically aggregates patch-level features into visual concept prototypes, explicitly modeling the many-to-many vision–concept correspondence. Extensive experimental results show that our approach effectively prevents representational collapse and achieves state-of-the-art performance on diverse benchmarks. Our experiments further probe the low-rank phenomenon in representational collapse, finding that IVQ mitigates the information bottleneck and yields cross-modal representations with clearer, more interpretable consistency. Code is available at \url{https://github.com/Daryl-GSJ/IVQ-CBM}.

Graphon models have emerged as powerful tools for modeling complex network structures by capturing connection probabilities among nodes. A key challenge in their application lies in accurately characterizing the graphon function, particularly with respect to parameters that govern its smoothness, which significantly impact the estimation accuracy. In this article, we propose a novel graphon cross-validation method for selecting tuning parameters and estimation approaches. Our method is both theoretically sound and computationally efficient. We show that our proposed cross-validation score is asymptotically parallel to the estimation error. Through extensive simulations and real-world applications, we demonstrate that our method consistently delivers superior computational efficiency and accuracy.

Based on the prevalent intermediate fusion (IF) and late fusion (LF) frameworks, multimodal representation learning (MML) demonstrates its superiority over unimodal representation learning. To investigate the intrinsic factors underlying the empirical success of MML, research grounded in theoretical justifications from the perspective of generalization error has emerged. However, these provable MML studies derive the theoretical findings based on LF, while theoretical exploration based on IF remains scarce. This naturally gives rise to a question: **Can we design a comprehensive MML approach supported by the sufficient theoretical analysis across fusion types?** To this end, we revisit the IF and LF paradigms from a fine-grained dimensional perspective. The derived theoretical evidence sufficiently establishes the superiority of IF over LF under a specific constraint. Based on a general $K$-Lipschitz continuity assumption, we derive the generalization error upper bound of the IF-based methods, indicating that eliminating the distribution incoherence can improve the generalizability of IF-based MML methods. Building upon these theoretical insights, we establish a novel IF-based MML method, which introduces the informatic constraint and performs distribution cohering. Extensive experimental results on multiple widely adopted datasets verify the effectiveness of the proposed method.

Deep Research Agents (DRAs) can autonomously conduct complex investigations and generate comprehensive reports, demonstrating strong real-world potential. However, existing evaluations mostly rely on close-ended benchmarks, while open-ended deep research benchmarks remain scarce and typically neglect personalized scenarios. To bridge this gap, we introduce Personalized Deep Research Bench (PDR-Bench), the first benchmark for evaluating personalization in DRAs. It pairs 50 diverse research tasks across 10 domains with 25 authentic user profiles that combine structured persona attributes with dynamic real-world contexts, yielding 250 realistic user-task queries. To assess system performance, we propose the PQR Evaluation Framework, which jointly measures Personalization Alignment, Content Quality, and Factual Reliability. Our experiments on a range of systems highlight current capabilities and limitations in handling personalized deep research. This work establishes a rigorous foundation for developing and evaluating the next generation of truly personalized AI research assistants.

We introduce spatially informed variational autoencoders (SI-VAE) as self-supervised deep-learning models that use stochastic point processes to predict spatial organization patterns from images. Existing approaches to learning visual representations based on variational autoencoders (VAE) struggle to capture spatial correlations between objects or events, focusing instead on pixel intensities. We address this limitation by incorporating a point-process likelihood, derived from the Papangelou conditional intensity, as a self-supervision target. This results in a hybrid model that learns statistically interpretable representations of spatial localization patterns and enables zero-shot conditional simulation directly from images. Experiments with synthetic images show that SI-VAE improve the classification accuracy of attractive, repulsive, and uncorrelated point patterns from 48% (VAE) to over 80% in the worst case and 90% in the best case, while generalizing to unseen data. We apply SI-VAE to a real-world microscopy data set, demonstrating its use for studying the spatial organization of proteins in human cells and for using the representations in downstream statistical analysis.

Large Multimodal Models (LMMs) often rely on in-context learning (ICL) to perform new visual question answering (VQA) tasks with minimal supervision. However, ICL performance, especially in smaller LMMs, does not always improve monotonically when increasing the number of examples. We hypothesize that this happens because the LMM is overwhelmed by extraneous information in the image embeddings that is irrelevant to the downstream task. To address this, we propose a meta-learning approach that induces few-shot capabilities in LMMs through a fixed set of soft prompts distilled from task-relevant visual features, which are adapted at test time using a small number of examples. We facilitate this distillation through an attention-mapper module that can be easily integrated with any LMM architecture and is jointly learned with soft prompts. Evaluation on the VL-ICL Bench shows that our method successfully achieves task adaptation in low-data regimes with just a few gradient steps, outperforming ICL by 21.2%. Comparisons with parameter-efficient finetuning methods demonstrate that meta-learning further enhances this adaptation by 7.7% for various VQA tasks.

We study the neural program synthesis of $\textit{parameterized}$ function families through the lens of meta-learning with hypernetworks. Given a user intent $U$, a meta-learner $M_{\phi}$ produces a full weight set $\hat{\theta}=M_{\phi}(U)$ for a target neural network with fixed architecture $S$, and the instantiated network $m_{S,\hat{\theta}}(X)\to Y$ realizes the behavior intended for $U$. Classical hypernetworks typically $\textit{ignore the target network’s structure}$ and emit a flat list of weights; as a consequence, they fail to account for $\textit{neuron-permutation symmetry}$—many distinct parameterizations of $S$ implement the same function—so equivalent solutions are treated as different targets, fragmenting supervision and hurting out-of-distribution generalization. To address this, we propose $\textit{Meta-GNN}$, a hypernetwork that constructs a $\textit{neural graph}$ from the target architecture $S$ and applies $\textbf{structure-aware}$ message passing with parameter-tied encoders and decoders. This design reduces the search space during learning by collapsing equivalent classes of target networks, without loss of expressivity. Empirically, across modular arithmetic ($\textit{AddMod}$-$p$), array operations ($\textit{SumFirst}$-$n$), and inverse-rule tasks from 1D-ARC, $\textit{Meta-GNN}$ substantially improves learning and $\textbf{out-of-distribution generalization}$ compared to classic hypernetworks and direct $(U,X)\to Y$ baselines. Mechanistic analyses reveal $\textit{what is learned}$: on $\textit{AddMod}$-$p$ the synthesized Transformers recover the canonical clock representation and admit a compact closed-form map $U\mapsto\theta$. These results demonstrate that structure-aware Meta-GNNs enable reliable generalization to $\textit{unseen program parameterizations}$, providing a critical advance for the nascent field of neural program synthesis.

The human brain exhibits remarkable efficiency in processing sequential information, a capability deeply rooted in the temporal selectivity and stochastic competition of neuronal activation. Current continual learning in spiking neural networks (SNNs) faces a critical challenge: balancing task-specific selectivity with adaptive resource allocation and enhancing the robustness with perturbations to mitigate catastrophic forgetting. Considering the intrinsic temporal dynamics of spiking neurons instead of traditional K-winner-take-all (K-WTA) based on firing rate, we explore how to leave networks robust to temporal perturbations in SNNs on lifelong learning tasks. In this paper, we propose Randomized Temporal K-winner-take-all (RTK-WTA) SNNs for lifelong learning, a biologically grounded approach that integrates trace-dependent neuronal activation with probabilistic top-k selection. By dynamically prioritizing neurons based on their spatiotemporal relevance, RTK-WTA SNNs emulate the brain’s ability to modulate neural resources in spatial and temporal dimensions while introducing controlled randomness to prevent overlapping task representations. The proposed RTK-WTA SNNs enhance inter-class margins and robustness through expanded feature space utilization theoretically. The experimental results show that RTK-WTA surpasses deterministic K-WTA by 3.07–5.0\% accuracy on splitMNIST and splitCIFAR100 with elastic weight consolidation. Controlled stochasticity balances temporal coherence and adaptability, offering a scalable framework for lifelong learning in neuromorphic systems.

Fine-tuning large pre-trained models under resource constraints remains challenging due to the massive number of parameters involved. Existing parameter-efficient tuning methods, such as low-rank adaptation (LoRA) and its variants, rely heavily on matrix factorization and often struggle in extremely low-parameter regimes. In this work, we propose TRAC, a novel fine-tuning framework that leverages Tensor-Train decomposition with Across-layer Compression. Specifically, TRAC represents each adaptation module as a compact sequence of tensor-train cores and allows certain cores to be frozen or shared across layers, thereby exploiting the inherent similarity and redundancy among layer weight matrices. To retain layer-specific flexibility, lightweight controllers are introduced, enabling shared tensor cores to adaptively modulate representations. We evaluate TRAC on diverse architectures, including Qwen, LLaMA, GPT, BERT, and ViT, across benchmarks covering text classification, text generation, and image classification. Experimental results demonstrate that TRAC achieves performance comparable to or better than LoRA and its variants, while substantially reducing trainable parameters and storage requirements.

In language tasks requiring extensive human-model interaction, the inference cost of large language models (LLMs) can be substantial. To reduce expenses while preserving the quality of the responses, an LLM router selects among candidate models to balance between the expected response quality and the inference cost. A central challenge in router training is the accuracy and accessibility of reliable supervision. Gold-standard data, obtained from domain experts or benchmark labels, provide accurate quality evaluations of LLM responses but are costly and difficult to scale. In contrast, preference-based data, collected via crowdsourcing or LLM-as-a-judge systems, are cheaper and more scalable, yet often biased in reflecting the true quality of responses. We cast the problem of LLM router training with combined Gold-standard and preference-based data into a causal inference framework by viewing the response evaluation mechanism as the treatment assignment. This perspective further reveals that the bias in preference-based data corresponds to the well-known causal estimand: the conditional average treatment effect (CATE). Based on this new perspective, we develop an integrative causal router training framework that corrects preference-data bias, addresses imbalances between two data sources, and improves routing robustness and efficiency. Numerical experiments demonstrate that our approach delivers more accurate routing and improves the trade-off between cost and quality. Illustrative code to reproduce our main experiment is available at https://github.com/yichistat/Meta-router.

High-stakes, infrequent consumer decisions, such as housing selection, challenge conventional recommender systems due to sparse interaction, heterogeneous multi-criteria objectives, and high-dimensional features. This work presents an interactive preference elicitation framework utilizing preferential Bayesian optimization (PBO) to learn the unknown utility function of a user from pairwise comparisons that are integrated in real-time. To increase efficiency in a complex feature space, we learn the preference model in the latent space of an autoencoder (AE). Additionally, to mitigate a cold start, we obtain a personalized probabilistic prior through an automated user interview with a large language model (LLM). We evaluate the developed method on rental real estate datasets from two major European cities. The results show that executing PBO in the AE latent space improves final pairwise ranking accuracy by 12\%. For LLM-based preference prior generation, we find that direct, LLM-driven weight specification is outperformed by a static prior, while probabilistically weighted priors using LLMs achieve 25\% better pairwise accuracy.

Scaled post‑training now drives many of the largest capability gains in language models (LMs), yet its effect on pretrained knowledge remains poorly understood. Not all forgetting is equal: Forgetting one fact (e.g., a U.S. president or an API call) does not “average out” when recalling another. Hence, we propose a sample-wise paradigm to measure what is forgotten and when backward transfer occurs. Our metric counts 1→0 transitions (correct before post‑training, incorrect after) to quantify forgetting and 0→1 transitions to quantify backward transfer. Traditional task averages conflate these effects and obscure large changes. For multiple‑choice benchmarks, we add chance‑adjusted variants that subtract the expected contribution of random guessing from pre‑ and post‑training accuracies. We apply this framework across post‑training stages, model sizes, and data scales. Our large‑scale analysis across nearly 30 model pairs and 100 sub-benchmarks with up to 32,768 generated tokens per sample shows that: (1) Domain-continual pretraining induces moderate forgetting with low-to-moderate backward transfer; (2) RL/SFT post-training applied to base models and instruction tuning yields moderate-to-large backward transfer on math and logic with overall low-to-moderate forgetting; (3) Applying RL/SFT to instruction‑tuned models is sensitive on data scale: at small scales, both forgetting and backward transfer are small; at larger scales, effects are mixed and warrant further study with better controls; (4) Model merging does not reliably mitigate forgetting. Overall, our framework offers a practical yardstick for mapping how post‑training alters pretrained knowledge at scale -- enabling progress towards generally capable AI systems.

Knowledge Distillation (KD) has emerged as a powerful technique for model compression, enabling lightweight student networks to benefit from the performance of redundant teacher networks. However, the inherent capacity gap often limits the performance of student networks. Inspired by the expressiveness of pretrained teacher networks, a compelling research question arises: is there a type of network that can not only inherit the teacher’s structure but also maximize the inheritance of its knowledge? Furthermore, how does the performance of such an inheriting network compare to that of student networks, all benefiting from the same teacher network? To further explore this question, we propose InherNet, a neural network inheritance method that performs asymmetric low-rank decomposition on the teacher’s weights and reconstructs a lightweight yet expressive network without significant architectural disruption. By leveraging Singular Value Decomposition (SVD) for initialization to ensure the inheritance of principal knowledge, InherNet effectively balances depth, width, and compression efficiency. Experimental results across unimodal and multimodal tasks demonstrate that InherNet achieves higher performance compared to student networks of similar parameter sizes. Our findings reveal a promising direction for future research in efficient model compression beyond traditional distillation.

In continual learning, knowledge must be preserved and re-used between tasks, requiring a balance between maintaining good transfer to future tasks and minimizing forgetting of previously learned ones. As several practical algorithms have been devised to address the continual learning setting, the natural question of providing reliable risk certificates has also been raised. Although there are results for specific settings and algorithms on the behavior of memory stability, generally applicable upper bounds on learning plasticity are few and far between. In this work, we extend existing PAC-Bayes bounds for online learning and time-uniform offline learning to the continual learning setting. We derive general upper bounds on the cumulative generalization loss applicable for any task distribution and learning algorithm as well as oracle bounds for Gibbs posteriors and compare their effectiveness for several different task distributions. We demonstrate empirically that our approach yields non-vacuous bounds for several continual learning problems in vision, as well as tight oracle bounds on linear regression tasks. To the best of our knowledge, this is the first general upper bound on learning plasticity for continual learning.

Model merging has emerged as a promising approach for unifying independently fine-tuned models into an integrated framework, significantly enhancing computational efficiency in multi-task learning. Recently, several SVD-based techniques have been introduced to exploit low-rank structures for enhanced merging, but their reliance on heuristically designed rank selection often leads to inter-task interference and suboptimal performance. In this paper, we propose AdaRank, a model merging framework that replaces this heuristic selection by adaptively selecting the beneficial singular components of task vectors to merge multiple models. We first show empirically that (i) selecting only the top singular components of task vectors can cause critical interference with other tasks, and (ii) assigning fixed ranks does not align with the varying complexity of tasks and layers. AdaRank addresses both issues by adapting per-component masks, indicating the selection of the component, to the unlabeled test data with entropy minimization. Our experimental findings show that AdaRank consistently improves existing merging methods across diverse backbones from different modalities, largely narrowing the performance gap against individually fine-tuned models.

While traditional time-series classifiers assume full sequences at inference, practical constraints (latency and cost) often limit inputs to partial prefixes. The absence of class-discriminative patterns in partial data can significantly hinder a classifier’s ability to generalize. This work uses knowledge distillation (KD) to equip partial time series classifiers with the generalization ability of their full-sequence counterparts. In KD, high-capacity teacher transfers supervision to aid student learning on the target task. Matching with teacher features has shown promise in closing the generalization gap due to limited parameter capacity. However, when the generalization gap arises from training-data differences (full versus partial), the teacher’s full-context features can be an overwhelming target signal for the student’s short-context features. To provide progressive, diverse, and collective teacher supervision, we propose Generative Diffusion Prior Distillation (GDPD), a novel KD framework that treats short-context student features as degraded observations of the target full-context features. Inspired by the iterative restoration capability of diffusion models, we learn a diffusion-based generative prior over teacher features. Leveraging this prior, we posterior-sample target teacher representations that could best explain the missing long-range information in the student features and optimize the student features to be minimally degraded relative to these targets. GDPD provides each student feature with a distribution of task-relevant long-context knowledge, which benefits learning on the partial classification task. Extensive experiments across earliness settings, datasets, and architectures demonstrate GDPD’s effectiveness for full-to-partial distillation.

Machine learning (ML) models often struggle to maintain performance under distribution shifts, leading to inaccurate predictions on unseen future data. In this work, we investigate whether and under what conditions models can achieve such a generalization when relying solely on past data. We explore two primary approaches: convex combinations of past model parameters (parameter interpolation) and explicit extrapolation beyond the convex hull of past parameters (parameter extrapolation). We benchmark several methods within these categories on a diverse set of temporal tasks, including language modeling, news summarization, news tag prediction, academic paper categorization, satellite image-based land use classification over time, and historical yearbook photo gender prediction. Our empirical findings show that none of the evaluated methods consistently outperforms the simple baseline of using the latest available model parameters in all scenarios. In the absence of access to future data or robust assumptions about the underlying data-generating process, these results underscore the inherent difficulties of generalizing and extrapolating to future data and warrant caution when evaluating claims of such generalization.

Incremental Object Detection (IOD) enables AI systems to continuously learn new object classes over time while retaining knowledge of previously learned categories. This capability is essential for adapting to dynamic environments without forgetting prior information. Although existing IOD methods have made progress in mitigating catastrophic forgetting, they usually lack explicit and quantitative modeling of information conflicts during knowledge preservation, making task boundaries ambiguous. Such conflicts often stem from the fact that a single image can contain objects belonging to previous, present, and future tasks, where unlabeled past and future objects are often mistakenly treated as background. In this paper, we propose a novel approach grounded in Elastic Weight Consolidation (EWC) to alleviate conflict knowledge preservation caused by task interference. Specifically, we introduce the Interference Knowledge Isolated Elastic Weight Consolidation (IKI-EWC) framework for IOD, which leverages the mispredictions of the old detector on new task data to estimate task conflicts and suppresses them at the parameter level. By reformulating the Bayesian posterior of model parameters, we derive a mathematical relationship between previously learned knowledge and interference knowledge, enabling targeted elimination of conflicts during model weight updates. In addition, we also propose a prototype-based knowledge calibration (PKC) mechanism to further preserve old knowledge during the training of the objector's classification head. This method employs a learnable projection layer to compensate semantic drift in old class prototypes, and then jointly trains the classification head using both calibrated prototypes and current task features, thereby mitigating forgetting caused by classifier updates. Extensive experiments on PASCAL VOC and MS-COCO benchmarks demonstrate the effectiveness of the proposed method, outperforming state-of-the-art approaches in various settings.

Catastrophic forgetting, the tendency of neural networks to forget previously learned knowledge when learning new tasks, has been a major challenge in continual learning (CL). To tackle this challenge, CL methods have been proposed and shown to reduce forgetting. Furthermore, CL models deployed in mission-critical settings can benefit from uncertainty awareness by calibrating their predictions to reliably assess their confidences. However, existing uncertainty-aware continual learning methods suffer from high computational overhead and incompatibility with mainstream replay methods. To address this, we propose idempotent experience replay (IDER), a novel approach based on the idempotent property where repeated function applications yield the same output. Specifically, we first adapt the training loss to make model idempotent on current data streams. In addition, we introduce an idempotence distillation loss. We feed the output of the current model back into the old checkpoint and then minimize the distance between this reprocessed output and the original output of the current model. This yields a simple and effective new baseline for building reliable continual learners, which can be seamlessly integrated with other CL approaches. Extensive experiments on different CL benchmarks demonstrate that IDER consistently improves prediction reliability while simultaneously boosting accuracy and reducing forgetting. Our results suggest the potential of idempotence as a promising principle for deploying efficient and trustworthy continual learning systems in real-world applications. Our code is available at https://github.com/YutingLi0606/Idempotent-Continual-Learning.

Few-Shot Class Incremental Learning (FSCIL) is crucial for adapting to the complex open-world environments. Contemporary prospective learning-based space construction methods struggle to balance old and new knowledge, as prototype bias and rigid structures limit the expressive capacity of the embedding space. Different from these strategies, we rethink the optimization dilemma from the perspective of feature-structure dual consistency, and propose a Consistency-driven Calibration and Matching (ConCM) framework that systematically mitigates the knowledge conflict inherent in FSCIL. Specifically, inspired by hippocampal associative memory, we design a memory-aware prototype calibration that extracts generalized semantic attributes from base classes and reintegrates them into novel classes to enhance the conceptual center consistency of features. Further, to consolidate memory associations, we propose dynamic structure matching, which adaptively aligns the calibrated features to a session-specific optimal manifold space, ensuring cross-session structure consistency. This process requires no class-number priors and is theoretically guaranteed to achieve geometric optimality and maximum matching. On large-scale FSCIL benchmarks including mini-ImageNet, CIFAR100 and CUB200, ConCM achieves state-of-the-art performance, with harmonic accuracy gains of up to 3.41% in incremental sessions. Code is available at: https://github.com/wire-wqz/ConCM

Knowledge distillation has become a crucial technique to transfer the capacities of large language models (LLMs) to smaller, more efficient models for practical deployment. While recent work exploits rich information from intermediate states of the teacher model for more effective knowledge transfer, imperfect knowledge from the teacher can also mislead student learning, restricting the student’s generalization capacity. In this work, we propose a two-stage distillation framework that is effective for diverse knowledge distillation scenarios. In the first stage, we pretrain projectors to extract and compress teacher knowledge into a low-dimensional vector space via self-reconstruction. In the second stage, we perform distillation with a hybrid objective that combines learning from the compressed teacher representations with standard supervised fine-tuning on ground-truth data. Our key innovation is residual learning for LLM distillation, where the student learns to make predictions based on the differential between its representations and projected states from the teacher. This approach encourages the student to further improve its representations beyond potentially erroneous teacher knowledge. For Mixture-of-Experts (MoE) teacher models, we further fuse the experts’ outputs using a self-attention mechanism for better utilizing the teacher knowledge. Moreover, to support the cross-tokenizer distillation setting, where the teacher and student models have different vocabularies, we adopt a cross-model attention mechanism that eliminates the need for explicit token alignment rules. Experimental results show the superior performance of our proposed framework under both same- and cross-tokenizer settings, demonstrating the effectiveness in preserving teacher knowledge and improving student generalization capability.

Inference-time control of diffusion models aims to steer model outputs to satisfy new constraints without retraining. Previous approaches have mostly relied on heuristic guidance or have been coupled with Sequential Monte Carlo (SMC) for bias correction. In this paper, we propose a flexible alternative based on replica exchange, an algorithm designed initially for sampling problems. We refer to this method as CREPE (Controlling with REPlica Exchange). Unlike SMC, CREPE: (i) generates particles sequentially, (ii) maintains high diversity in the generated samples after a burn-in period, and (iii) enables online refinement or early termination. We demonstrate its versatility across various tasks, including temperature annealing, reward tilting, model composition and classifier-free guidance debiasing, with competitive performance compared to prior SMC methods.

Continual Learning (CL) seeks to build an agent that can continuously learn a sequence of tasks, where a key challenge, namely Catastrophic Forgetting, persists due to the potential knowledge interference among different tasks. On the other hand, deep neural networks (DNNs) are shown to converge to a terminal state termed Neural Collapse during training, where all class prototypes geometrically form a static simplex equiangular tight frame (ETF). These maximally and equally separated class prototypes make the ETF an ideal target for model learning in CL to mitigate knowledge interference. Thus inspired, several studies have emerged very recently to leverage a fixed global ETF in CL, which however suffers from key drawbacks, such as impracticability and limited performance. To address these challenges and fully unlock the potential of ETF in CL, we propose Progressive Neural Collapse (ProNC), a novel framework that completely removes the need of a fixed global ETF in CL. Specifically, ProNC progressively expands the ETF target in a principled way by adding new class prototypes as vertices for new tasks, ensuring maximal separability across all encountered classes with minimal shifts from the previous ETF. We next develop a new CL framework by plugging ProNC into commonly used CL algorithm designs, where distillation is further leveraged to balance between target shifting for old classes and target aligning for new classes. Extensive experiments show that our approach significantly outperforms related baselines while maintaining superior flexibility, simplicity, and efficiency. Our code is available at https://github.com/yourname/ProNC.

The common approach to communicate a large language model's (LLM) uncertainty is to add a percentage number or a hedging word to its response. But is this all we can do? Instead of generating a single answer and then hedging it, an LLM that is fully transparent to the user needs to be able to reflect on its internal belief distribution and output a summary of all options it deems possible, and how likely they are. To test whether LLMs possess this capability, we develop the SelfReflect metric, an information-theoretic distance between a given summary and a distribution over answers. In interventional and human studies, we find that SelfReflect indicates even slight deviations, yielding a fine measure of faithfulness between a summary string and an LLM's actual internal distribution over answers. With SelfReflect, we make a resounding negative observation: modern LLMs are, across the board, incapable of revealing what they are uncertain about, neither through reasoning, nor chains-of-thoughts, nor explicit finetuning. However, we do find that LLMs are able to generate faithful summaries of their uncertainties if we help them by sampling multiple outputs and feeding them back into the context. This simple approach shines a light at the universal way of communicating LLM uncertainties whose future development the SelfReflect score enables. To support the development of this universal form of LLM uncertainties, we publish the code that implements our metric for arbitrary LLMs under https://github.com/apple/ml-selfreflect .

Survival analysis plays a critical role in modeling time-to-event outcomes across various domains. Although recent advances have focused on improving predictive accuracy and concordance, fine-grained calibration remains comparatively underexplored. In this paper, we propose a survival modeling framework based on the Individually Calibrated Asymmetric Laplace Distribution (ICALD), which unifies parametric and nonparametric approaches based on the ALD. We begin by revisiting the probabilistic foundation of the widely used pinball loss in quantile regression and its reparameterization as the asymmetry form of the ALD. This reparameterization enables a principled shift to parametric modeling while preserving the flexibility of nonparametric methods. Furthermore, we show theoretically that ICALD, with the quantile regression loss is probably approximately individually calibrated. Then we design an extended ICALD framework that supports both pre-calibration and post-calibration strategies. Extensive experiments on 14 synthetic and 7 real-world datasets demonstrate that our method achieves competitive performance in terms of predictive accuracy, concordance, and calibration, while outperforming 12 existing baselines including recent pre-calibration and post-calibration methods.

Although large language models (LLMs) are becoming increasingly capable of solving challenging real-world tasks, accurately quantifying their uncertainty remains a critical open problem—one that limits their applicability in high-stakes domains. This challenge is further compounded by the closed-source, black-box nature of many state-of-the-art LLMs. Moreover, LLM-based systems can be highly sensitive to the prompts that bind them together, which often require significant manual tuning (i.e., prompt engineering). In this work, we address these challenges by viewing LLM-based systems through a Bayesian lens. We interpret prompts as textual parameters in a statistical model, allowing us to use a small training dataset to perform Bayesian inference over these prompts. This novel perspective enables principled uncertainty quantification over both the model’s textual parameters and its downstream predictions, while also incorporating prior beliefs about these parameters expressed in free-form text. To perform Bayesian inference— a difficult problem even for well-studied data modalities—we introduce Metropolis-Hastings through LLM Proposals (MHLP), a novel Markov chain Monte Carlo (MCMC) algorithm that combines prompt optimization techniques with standard MCMC methods. MHLP is a turnkey modification to existing LLM pipelines, including those that rely exclusively on closed-source models. Empirically, we demonstrate that our method yields improvements in both predictive accuracy and uncertainty quantification (UQ) on a range of LLM benchmarks and UQ tasks. More broadly, our work demonstrates a viable path for incorporating methods from the rich Bayesian literature into the era of LLMs, paving the way for more reliable and calibrated LLM-based systems.

Probabilistic programming offers a powerful framework for modeling uncertainty, yet statistical model discovery in this domain entails navigating an immense search space under strict domain‐specific constraints. When small language models are tasked with generating probabilistic programs, they frequently produce outputs that suffer from both syntactic, and semantic errors, such as flawed inference constructs. Motivated by probabilistic programmers’ domain expertise and debugging strategies, we introduce RefineStat, a language model–driven framework that enforces semantic constraints ensuring synthesized programs contain valid distributions, well‐formed parameters, and then applies diagnostic‐aware refinement by resampling prior or likelihood components whenever reliability checks fail. We evaluate RefineStat on multiple probabilistic-programming code-generation tasks using smaller language models (SLMs) and find that it produces programs that are both syntactically sound and statistically reliable, often matching or surpassing those from closed-source large language models (e.g., OpenAI o3).

Markov Chain Monte Carlo (MCMC) algorithms are essential tools in computational statistics for sampling from unnormalised probability distributions, but can be fragile when targeting high-dimensional, multimodal, or complex target distributions. Parallel Tempering (PT) enhances MCMC's sample efficiency through annealing and parallel computation, propagating samples from tractable reference distributions to intractable targets via state swapping across interpolating distributions. The effectiveness of PT is limited by the often minimal overlap between adjacent distributions in challenging problems, which requires increasing the computational resources to compensate. We introduce a framework that accelerates PT by leveraging neural samplers---including normalising flows, diffusion models, and controlled diffusions---to reduce the required overlap. Our approach utilises neural samplers in parallel, circumventing the computational burden of neural samplers while preserving the asymptotic consistency of classical PT. We demonstrate theoretically and empirically on a variety of multimodal sampling problems that our method improves sample quality, reduces the computational cost compared to classical PT, and enables efficient free energy/normalising constant estimation.

We propose a statistical benchmark for diffusion-posterior-sampling (DPS) algorithms in linear inverse problems. Our test signals are discretized Lévy processes whose posteriors admit efficient Gibbs methods. These Gibbs methods provide gold-standard posterior samples for direct, distribution-level comparisons with DPS algorithms. They can also sample the denoising posteriors in the reverse diffusion, which enables the arbitrary-precision Monte Carlo estimation of various objects that may be needed in the DPS algorithms, such as the expectation or the covariance of the denoising posteriors. In turn, this can be used to isolate algorithmic errors from the errors due to learned components. We instantiate the benchmark with the minimum-mean-squared-error optimality gap and posterior-coverage tests and evaluate popular algorithms on the inverse problems of denoising, deconvolution, imputation, and reconstruction from partial Fourier measurements. We release the benchmark code at https://github.com/zacmar/dps-benchmark and invite the community to contribute and report results.

Evaluating the quality of a clustering result without access to ground truth labels is fundamental for research in data mining. However, most cluster validation indices (CVIs) do not consider the noise assignments by density-based clustering methods like DBSCAN or HDBSCAN, even though the ability to correctly determine noise is paramount to successful clustering. In this paper, we propose DISCO, a Density-based Internal Score for Clusterings with nOise, the first CVI to explicitly assess the quality of noise assignments rather than merely counting them. DISCO is based on the Silhouette Coefficient, but adopts density-connectivity to evaluate clusters of arbitrary shapes, and proposes explicit noise evaluation: it rewards correctly assigned noise labels and penalizes noise labels where a cluster label would have been more appropriate. The pointwise definition of DISCO allows for the seamless integration of noise evaluation into the final clustering evaluation, while also enabling explainable evaluations of the clustered data. In contrast to most state-of-the-art methods, DISCO is well-defined and also covers edge cases that regularly appear as output from clustering algorithms, such as singleton clusters or a single cluster plus noise.

On-device inference offers privacy, offline use, and instant response, but consumer hardware restricts large language models (LLMs) to low throughput and capability. To overcome this challenge, we present prima.cpp, a distributed on-device inference system that runs 30-70B LLMs on consumer home clusters with mixed CPUs/GPUs, insufficient RAM/VRAM, slow disks, Wi-Fi links, and heterogeneous OSs. We introduce pipelined-ring parallelism (PRP) to overlap disk I/O with compute and communication, and address the prefetch-release conflict in mmap-based offloading. We further propose Halda, a heterogeneity-aware scheduler that co-optimizes per-device CPU/GPU workloads and device selection under RAM/VRAM constraints. On four consumer home devices, a 70B model reaches 674 ms/token TPOT with <6% memory pressure, and a 32B model with speculative decoding achieves 26 tokens/s. Compared with llama.cpp, exo, and dllama, our proposed prima.cpp achieves 5-17× lower TPOT, supports fine-grained model sizes from 8B to 70B, ensures broader cross-OS and quantization compatibility, and remains OOM-free, while also being Wi-Fi tolerant, privacy-preserving, and hardware-independent. The code is available at https://gitee.com/zonghang-li/prima.cpp.

Kolmogorov–Arnold Networks (KANs) are a recently introduced neural architecture that replace fixed nonlinearities with trainable activation functions, offering enhanced flexibility and interpretability. While KANs have been applied successfully across scientific and machine learning tasks, their initialization strategies remain largely unexplored. In this work, we study initialization schemes for spline-based KANs, proposing two theory-driven approaches inspired by LeCun and Glorot, as well as an empirical power-law family with tunable exponents. Our evaluation combines large-scale grid searches on function fitting and forward PDE benchmarks, an analysis of training dynamics through the lens of the Neural Tangent Kernel, and evaluations on a subset of the Feynman dataset. Our findings indicate that the Glorot-inspired initialization significantly outperforms the baseline in parameter-rich models, while power-law initialization achieves the strongest performance overall, both across tasks and for architectures of varying size. This work underscores initialization as a key factor in KAN performance and introduces practical strategies to improve it.

The rapid scaling of large language models(LLMs) has made inference efficiency a primary bottleneck in the practical deployment. To address this, semi-structured sparsity offers a promising solution by strategically retaining $N$ elements out of every $M$ weights, thereby enabling hardware-friendly acceleration and reduced memory. However, existing (N:M)-compatible approaches typically fall into two categories: rule-based layerwise greedy search, which suffers from considerable errors, and gradient-driven combinatorial learning, which incurs prohibitive training costs. To tackle these challenges, we propose a novel linear-space probabilistic framework named MaskPro, which aims to learn a prior categorical distribution for every $M$ consecutive weights and subsequently leverages this distribution to generate the (N:M)-sparsity throughout an $N$-way sampling without replacement. Furthermore, to mitigate the training instability induced by the high variance of policy gradients in the super large combinatorial space, we propose a novel update method by introducing a moving average tracker of loss residuals instead of vanilla loss. Finally, we conduct comprehensive theoretical analysis and extensive experiments to validate the superior performance of MaskPro, as well as its excellent scalability in memory efficiency and exceptional robustness to data samples.

We propose a method to solve $k$-HC$_2$—the $k$-Hyperplane Clustering problem that asks to find $k$ hyperplanes that minimize the sum of squared $2$-norm (Euclidean) distances between each point and its closest hyperplane—to global optimality via spatial branch-and-bound (SBB) techniques. Our method strengthens a mixed-integer quadratically constrained quadratic programming formulation for $k$-HC$_2$ with constraints that arise when formulating the problem in $p$-norms with $p \ge 2$. In particular, we show that, for every (suitably scaled) $p \in \mathbb{N} \cup \{\infty\}$, one obtains a variant of $k$-HC$_2$ whose optimal solutions yield lower bounds within a multiplicative approximation factor. We focus on the case of polyhedral norms where $p = 1, \infty$ (which are disjunctive-programming representable), and prove that strengthening the original formulation by including, on top of its $2$-norm constraints, the constraints of one of the polyhedral norms leads to an SBB method where nonzero lower bounds are obtained in a number of nodes that is linear in $n$ and $k$ (rather than exponential). Experimentally, our method leads to very large speedups, reducing median solve times by up to $41\times$ while increasing the total number of solved instances by up to $63\%$, drastically improving the problem's solvability to global optimality.

Considerable efforts have been devoted to machine learning (ML) for combinatorial optimization (CO) problems, especially on graphs. Compared to the active and well-established research for representation learning of text and vision, etc., it remains under-studied for the representation learning of CO problems, especially across different types. In this paper, we try to fill this gap (especially for NP-complete (NPC) problems, as they, in fact, can be reduced to one another). Our so-called ConRep4CO framework, performs contrastive learning by first transforming CO instances in various original forms into the form of Boolean satisfiability (SAT). This scheme is readily doable, especially for NPC problems, including those practical graph decision problems (GDPs) which are inherently related to their NP-hard optimization versions. Specifically, each positive pair of instances for contrasting consists of an instance in its original form and its corresponding transformed SAT form, while the negative samples are other instances not in correspondence. Extensive experiments on seven GDPs (most of which are NPC) show that ConRep4CO significantly improves the representation quality and generalizability to problem scale. Furthermore, we conduct extensive experiments on NP-hard optimization versions of the GDPs, including MVC, MIS, MC and MDS. The results show that introducing ConRep4CO can yield performance improvements of 61.27%, 32.20%, 36.46%, and 45.29% in objective value gaps compared to problem-specific baselines, highlighting the potential of ConRep4CO as a unified pre-training paradigm for CO problems.

While large reasoning models trained with critic-free reinforcement learning and verifiable rewards (RLVR) represent the state-of-the-art, their practical utility is hampered by ``overthinking'', a critical issue where models generate excessively long reasoning paths without any performance benefit. Existing solutions that penalize length often fail, inducing performance degradation due to a fundamental misalignment between trajectory-level rewards and token-level optimization. In this work, we introduce a novel framework, DECS, built on our theoretical discovery of two previously unaddressed flaws in current length rewards: (1) the erroneous penalization of essential exploratory tokens and (2) the inadvertent rewarding of partial redundancy. Our framework's innovations include (i) a first-of-its-kind decoupled token-level reward mechanism that surgically distinguishes and penalizes redundant tokens, and (ii) a novel curriculum batch scheduling strategy to master the efficiency-efficacy equilibrium. Experimental results show DECS can achieve a dramatic reduction in reasoning tokens by over 50\% across seven benchmarks while simultaneously maintaining or even improving performance. It demonstrates conclusively that substantial gains in reasoning efficiency can be achieved without compromising a model's underlying reasoning power. Code is available at \url{https://github.com/pixas/DECS}.

The multi-commodity flow (MCF) problem is a fundamental topic in network flow and combinatorial optimization, with broad applications in transportation, communication, and logistics, etc. Nowadays, the rapid expansion of allocation systems has posed challenges for existing optimization engines in balancing optimality and tractability. In this paper, we present Pram, the first ML-based method that leverages the reasoning power of multimodal language models (MLMs) for addressing the trade-off dilemma—a great need of service providers. As part of our proposal, Pram (i) quickly computes high-quality allocations by dividing the original problem into local subproblems, which are then resolved by an MLM-powered "agent", and (ii) ensures global consistency by harmonizing these subproblems via a multi-agent reinforcement learning algorithm. Theoretically, we show that Pram, which learns to perform gradient descent in context, provably converges to the optimum within the family of MCF problems. Empirically, on real-world datasets and public topologies, Pram achieves performance comparable to, and in some cases even surpassing, linear programming solvers (very close to the optimal solution), and substantially lower runtimes (one to two orders of magnitude faster). Moreover, Pram exhibits strong robustness (<10\% performance degradation under failures or bursts), demonstrating MLM's generalization ability to unforeseen events. Pram is objective-agnostic and seamlessly integrates with mainstream allocation systems, providing a practical and scalable solution for future networks.

Physics-Informed Neural Networks (PINNs) have emerged as a powerful tool for solving PDEs, yet training is difficult due to a multi-objective loss that couples PDE residuals, initial/boundary conditions, and auxiliary physics terms. Existing remedies often yield infeasible scaling factors or conflicting update directions, resulting in degraded performance. In this paper, we show that training PINNs requires jointly considering feasible scaling factors and a non-conflict direction. Through a geometric analysis of per-loss gradients, we define the $\textit{harmonized cone}$ as the intersection of their primal and dual cones, which characterizes directions that are simultaneously feasible and non-conflicting. Building on this, we propose $HARMONIC$ (HARMONIzed Cone gradient descent), a training procedure that computes updates within the harmonized cone by leveraging the Double Description method to aggregate extreme rays. Theoretically, we establish convergence guarantees in nonconvex settings and prove the existence of a nontrivial harmonized cone. Across standard PDE benchmarks, $HARMONIC$ generally outperforms state-of-the-art methods while ensuring feasible and non-conflict updates.

We propose FlexQP, an always-feasible convex quadratic programming (QP) solver based on an $\ell_1$ elastic relaxation of the QP constraints. If the original constraints are feasible, FlexQP provably recovers the optimal solution. If the constraints are infeasible, FlexQP identifies a solution that minimizes the constraint violation while keeping the number of violated constraints sparse. Such infeasibilities arise naturally in sequential quadratic programming (SQP) subproblems due to the linearization of the constraints. We prove the convergence of FlexQP under mild coercivity assumptions, making it robust to both feasible and infeasible QPs. We then apply deep unfolding to learn LSTM-based, dimension-agnostic feedback policies for the algorithm parameters, yielding an accelerated Deep FlexQP. To preserve the exactness guarantees of the relaxation, we propose a normalized training loss that incorporates the Lagrange multipliers. We additionally design a log-scaled loss for PAC-Bayes generalization bounds that yields substantially tighter performance certificates, which we use to construct an accelerated SQP solver with guaranteed QP subproblem performance. Deep FlexQP outperforms state-of-the-art learned QP solvers on a suite of benchmarks including portfolio optimization, classification, and regression problems, and scales to dense QPs with over 10k variables and constraints via fine-tuning. When deployed within SQP, our approach solves nonlinear trajectory optimization problems 4-16x faster than SQP with OSQP while substantially improving success rates. On predictive safety filter problems, Deep FlexQP reduces safety violations by over 70\% and increases task completion by 43\% compared to existing methods.

Multi-task Vehicle Routing Problems (VRPs) aim to minimize routing costs while satisfying diverse constraints. Existing solvers typically adopt a unified reinforcement learning (RL) framework to learn generalizable patterns across tasks. However, they often overlook the constraint and node dynamics during the decision process, making the model fail to accurately react to the current context. To address this limitation, we propose Chain-of-Context Learning (CCL), a novel framework that progressively captures the evolving context to guide fine-grained node adaptation. Specifically, CCL constructs step-wise contextual information via a Relevance-Guided Context Reformulation (RGCR) module, which adaptively prioritizes salient constraints. This context then guides node updates through a Trajectory-Shared Node Re-embedding (TSNR) module, which aggregates shared node features from all trajectories' contexts and uses them to update inputs for the next step. By modeling evolving preferences of the RL agent, CCL captures step-by-step dependencies in sequential decision-making. We evaluate CCL on 48 diverse VRP variants, including 16 in-distribution and 32 out-of-distribution (with unseen constraints) tasks. Experimental results show that CCL performs favorably against the state-of-the-art baselines, achieving the best performance on all in-distribution tasks and the majority of out-of-distribution tasks.

Understanding the implicit bias of optimization algorithms is key to explaining and improving the generalization of deep models. The hyperbolic implicit bias induced by pointwise overparameterization promotes sparsity, but also yields a small inverse Riemannian metric near zero, slowing down parameter movement and impeding meaningful parameter sign flips. To overcome this obstacle, we propose Hyperbolic Aware Minimization (HAM), which alternates a standard optimizer step with a lightweight hyperbolic mirror step. The mirror step incurs less compute and memory than pointwise overparameterization, reproduces its beneficial hyperbolic geometry for feature learning, and mitigates the small–inverse-metric bottleneck. Our characterization of the implicit bias in the context of underdetermined linear regression provides insights into the mechanism how HAM consistently increases performance --even in the case of dense training, as we demonstrate in experiments with standard vision benchmarks. HAM is especially effective in combination with different sparsification methods, advancing the state of the art.

While normalization techniques are widely used in deep learning, their theoretical understanding remains relatively limited. In this work, we establish the benefits of (generalized) weight normalization (WN) applied to the overparameterized matrix sensing problem. We prove that WN with Riemannian optimization achieves linear convergence, yielding an $\textit{exponential}$ speedup over standard methods that do not use WN. Our analysis further demonstrates that both iteration and sample complexity improve polynomially as the level of overparameterization increases. To the best of our knowledge, this work provides the first characterization of how WN leverages overparameterization for faster convergence in matrix sensing.

We study the problem of recovering a low-tubal-rank tensor $\mathcal{X}\_\star\in \mathbb{R}^{n \times n \times k}$ from noisy linear measurements under the t-product framework. A widely adopted strategy involves factorizing the optimization variable as $\mathcal{U} * \mathcal{U}^\top$, where $\mathcal{U} \in \mathbb{R}^{n \times R \times k}$, followed by applying factorized gradient descent (FGD) to solve the resulting optimization problem. Since the tubal-rank $r$ of the underlying tensor $\mathcal{X}_\star$ is typically unknown, this method often assumes $r < R \le n$, a regime known as over-parameterization. However, when the measurements are corrupted by some dense noise (e.g., sub-Gaussian noise), FGD with the commonly used spectral initialization yields a recovery error that grows linearly with the over-estimated tubal-rank $R$. To address this issue, we show that using a small initialization enables FGD to achieve a nearly minimax optimal recovery error, even when the tubal-rank $R$ is significantly overestimated. Using a four-stage analytic framework, we analyze this phenomenon and establish the sharpest known error bound to date, which is independent of the overestimated tubal-rank $R$. Furthermore, we provide a theoretical guarantee showing that an easy-to-use early stopping strategy can achieve the best known result in practice. All these theoretical findings are validated through a series of simulations and real-data experiments.

We introduce Velocity-Regularized Adam (VRAdam), a physics-inspired optimizer for training deep neural networks that draws on ideas from quartic terms for kinetic energy with its stabilizing effects on various system dynamics. Previous algorithms, including the ubiquitous Adam, operate at the so-called adaptive edge of stability regime during training, leading to rapid oscillations and slowed convergence of loss. However, VRAdam adds a higher order penalty on the learning rate based on the velocity such that the algorithm automatically slows down whenever weight updates become large. In practice, we observe that the effective dynamic learning rate shrinks in high-velocity regimes, and damping oscillations. By combining this velocity‑based regularizer for global damping with Adam’s per‑parameter scaling, we create a powerful hybrid optimizer. For this optimizer, we provide rigorous theoretical analysis of operation at the edge of stability from a physical and control perspective for the momentum. Furthermore, we derive convergence bounds with the rate $\mathcal{O}(\ln(N)/\sqrt{N})$ for a stochastic non‑convex objective under mild assumptions. We demonstrate that VRAdam exceeds the performance against standard optimizers including AdamW. We benchmark various tasks such as image classification, language modeling, and generative modeling using diverse architectures and training methodologies including Convolutional Neural Networks (CNNs), Transformers, and GFlowNets.

We study the problem of minimizing polarization and disagreement in the Friedkin–Johnsen opinion dynamics model under incomplete information. Unlike prior work that assumes a static setting with full knowledge of agents' innate opinions, we address the more realistic online setting where innate opinions are unknown and must be learned through sequential observations. This novel setting, which naturally mirrors periodic interventions on social media platforms, is formulated as a regret minimization problem, establishing a key connection between algorithmic interventions on social media platforms and the theory of multi-armed bandits. In our formulation, a learner observes only a scalar feedback of the overall polarization and disagreement after an intervention. For this novel bandit problem, we propose a two-stage algorithm based on low-rank matrix bandits. The algorithm first performs subspace estimation to identify an underlying low-dimensional structure, and then employs a linear bandit algorithm within the compact dimensional representation derived from the estimated subspace. We show that our algorithm achieves the cumulative regret of $\widetilde{\mathcal{O}}\big(\max(\tfrac{1}{\kappa},\sqrt{|V|})\sqrt{|V|T}\big)$ over time horizon $T$, where $V$ is the set of agents and $\kappa$ is a parameter dependent on the diversity of interventions. Empirical results validate that our algorithm significantly outperforms a linear bandit baseline in terms of both cumulative regret and running time.

Learning distributions over permutations is a fundamental problem in machine learning, with applications in ranking, combinatorial optimization, structured prediction, and data association. Existing methods rely on mixtures of parametric families or neural networks with expensive variational inference procedures. In this work, we propose a novel approach that leverages alternative representations for permutations, including Lehmer codes, Fisher-Yates draws, and Insertion-Vectors. These representations form a bijection with the symmetric group, allowing for unconstrained learning using conventional deep learning techniques, and can represent any probability distribution over permutations. Our approach enables a trade-off between expressivity of the model family and computational requirements. In the least expressive and most computationally efficient case our method subsumes previous families of well established probabilistic models over permutations, including Mallow's and the Repeated Insertion Model. Experiments indicate our method significantly outperforms current approaches on the jigsaw puzzle benchmark, a common task for permutation learning. However, we argue this benchmark is limited in its ability to assess learning probability distributions, as the target is a delta distribution (i.e., a single correct solution exists). We therefore propose two additional benchmarks: learning cyclic permutations and re-ranking movies based on user preference. We show that our method learns non-trivial distributions even in the least expressive mode, while traditional models fail to even generate valid permutations in this setting.

Efficient sampling from high-dimensional and multimodal unnormalized probability distributions is a central challenge in many areas of science and machine learning. We focus on Boltzmann generators (BGs) that aim to sample the Boltzmann distribution of physical systems, such as molecules, at a given temperature. Classical variational approaches that minimize the reverse Kullback–Leibler divergence are prone to mode collapse, while annealing-based methods, commonly using geometric schedules, can suffer from mass teleportation and rely heavily on schedule tuning. We introduce Constrained Mass Transport (CMT), a variational framework that generates intermediate distributions under constraints on both the KL divergence and the entropy decay between successive steps. These constraints enhance distributional overlap, mitigate mass teleportation, and counteract premature convergence. Across standard BG benchmarks and the here introduced ELIL tetrapeptide, the largest system studied to date without access to samples from molecular dynamics, CMT consistently surpasses state-of-the-art variational methods, achieving more than 2.5× higher effective sample size while avoiding mode collapse.

Watermarking is a principled approach for tracing the provenance of large language model (LLM) outputs, but its deployment in practice is hindered by inference inefficiency. Speculative sampling accelerates inference, with efficiency improving as the acceptance rate between draft and target models increases. Yet recent work reveals a fundamental trade-off: higher watermark strength reduces acceptance, preventing their simultaneous achievement. We revisit this trade-off and show it is not absolute. We introduce a quantitative measure of watermark strength that governs statistical detectability and is maximized when tokens are deterministic functions of pseudorandom numbers. Using this measure, we fully characterize the trade-off as a constrained optimization problem and derive explicit Pareto curves for two existing watermarking schemes. Finally, we introduce a principled mechanism that injects pseudorandomness into draft-token acceptance, ensuring maximal watermark strength while maintaining speculative sampling efficiency. Experiments further show that this approach improves detectability without sacrificing efficiency. Our findings uncover a principle that unites speculative sampling and watermarking, paving the way for their efficient and practical deployment.

Bayesian Optimization (BO) is a powerful framework for optimizing noisy, expensive-to-evaluate black-box functions. When the objective exhibits invariances under a group action, exploiting these symmetries can substantially improve BO efficiency. While using maximum similarity across group orbits has long been considered in other domains, the fact that the max kernel is not positive semidefinite (PSD) has prevented its use in BO. In this work, we revisit this idea by considering a PSD projection of the max kernel. Compared to existing invariant (and non-invariant) kernels, we show it achieves significantly lower regret on both synthetic and real-world BO benchmarks, without increasing computational complexity.

Large Language Models (LLMs) have recently emerged as effective surrogate models and candidate generators within global optimization frameworks for expensive blackbox functions. Despite promising results, LLM-based methods often struggle in high-dimensional search spaces or when lacking domain-specific priors, leading to sparse or uninformative suggestions. To overcome these limitations, we propose HOLLM, a novel global optimization algorithm that enhances LLM-driven sampling by partitioning the search space into promising subregions. Each subregion acts as a ``meta-arm'' selected via a bandit-inspired scoring mechanism that effectively balances exploration and exploitation. Within each selected subregion, an LLM then proposes high-quality candidate points, without any explicit domain knowledge. Empirical evaluation on standard optimization benchmarks shows that HOLLM consistently matches or surpasses leading global optimization methods, while substantially outperforming global LLM-based sampling strategies.

Bayesian optimization in large unstructured discrete spaces is often hindered by the computational cost of maximizing acquisition functions due to the absence of gradients. We propose a scalable alternative based on Thompson sampling that eliminates the need for acquisition function maximization by directly parameterizing the probability that a candidate yields the maximum reward. Our approach, Thompson Sampling via Fine-Tuning (ToSFiT) leverages the prior knowledge embedded in prompt-conditioned large language models, and incrementally adapts them toward the posterior. Theoretically, we derive a novel regret bound for a variational formulation of Thompson Sampling that matches the strong guarantees of its standard counterpart. Our analysis reveals the critical role of careful adaptation to the posterior probability of maximality—a principle that underpins our ToSFiT algorithm. Empirically, we validate our method on three diverse tasks: FAQ response refinement, thermally stable protein search, and quantum circuit design. Within a collection of methods covering in-context Bayesian optimization, reinforcement learning, and evolutionary search, ToSFiT exhibits both state-of-the-art sample efficiency and computational efficiency.

With the rapid scaling of large language models, achieving efficient compression while maintaining model performance has become a critical challenge. To address the limitations of existing non-uniform quantization methods, which typically rely on fixed codebooks and require costly optimization, we propose a novel arbitrary bit-width non-uniform Quantization (NuBitQ). The framework enables flexible, layer-specific quantization strategies, significantly enhancing adaptability and efficiency. Notably, traditional outlier compensation methods used in uniform quantization are ill-suited for the anomalous distribution characteristics encountered in our context. To address this, we design a novel outlier evaluation metric that integrates weight perturbation, activation distribution, and perturbation propagation. Based on this metric, we further develop an Outlier Compensation Plugin (OCP) that implements multi-level, fine-grained outlier compensation strategies, effectively mitigating performance degradation caused by outliers. Our approach avoids direct complex Hessian computation and fine-tuning, offering strong applicability and scalability. Extensive experiments on multiple tasks and across various model series demonstrate the effectiveness of the proposed approach.

Scaling neural network training increasingly depends on synchronous data-parallelism, yet full-precision gradient all-reduce imposes a severe communication bottleneck. We propose Decoupled Momentum Optimization, a drop-in replacement for any momentum-based optimizers that significantly reduces the communication bandwidth while maintaining convergence. DeMo (i) decouples local momentum updates, (ii) applies a fast orthonormal transform (e.g., DCT) followed by top-$k$ sparsification, and (iii) reuses the momentum buffer for error feedback via momentum subtraction. This design reduces per-step communication by up to two orders of magnitude with minimal computational overhead. Experiments on 300M- and 1B-parameter DeMo language models show DeMo transmits up to 85× less data per GPU than AdamW-DDP while achieving comparable loss and accuracy. DeMo is topology-agnostic and enables training across multi-datacenter or Ethernet-based setups.

We study the problem of assigning operations in a dataflow graph to devices to minimize execution time in a work-conserving system, with emphasis on complex machine learning workloads. Prior learning-based approaches face three limitations: (1) reliance on bulk-synchronous frameworks that under-utilize devices, (2) learning a single placement policy without modeling the system dynamics, and (3) depending solely on reinforcement learning during pre-training while ignoring optimization during deployment. We propose Doppler, a three-stage framework with two policies—$\mathsf{SEL}$ for selecting operations and $\mathsf{PLC}$ for placing them on devices. Doppler consistently outperforms baselines by reducing execution time and improving sampling efficiency through faster per-episode training. Our results show that Doppler achieves up to 52.7\% lower execution times than the best baseline. The code is available at https://github.com/xinyuyao/Doppler.

We propose a new unifying framework, Birch SGD, for analyzing and designing distributed SGD methods. The central idea is to represent each method as a weighted directed tree, referred to as a computation tree. Leveraging this representation, we introduce a general theoretical result that reduces convergence analysis to studying the geometry of these trees. This perspective yields a purely graph-based interpretation of optimization dynamics, offering a new and intuitive foundation for method development. Using Birch SGD, we design eight new methods and analyze them alongside previously known ones, with at least six of the new methods shown to have optimal computational time complexity. Our research leads to two key insights: (i) all methods share the same iteration rate of $\mathcal{O}\left(\frac{(R + 1) L \Delta}{\varepsilon} + \frac{\sigma^2 L \Delta}{\varepsilon^2}\right)$, where $R$ the maximum ``tree distance'' along the main branch of a tree; and (ii) different methods exhibit different trade-offs---for example, some update iterates more frequently, improving practical performance, while others are more communication-efficient or focus on other aspects. Birch SGD serves as a unifying framework for navigating these trade-offs. We believe these results provide a unified foundation for understanding, analyzing, and designing efficient asynchronous and parallel optimization methods.

Different federated optimization algorithms typically employ distinct client-selection strategies: some methods communicate only with a randomly sampled subset of clients at each round, while others need to periodically communicate with all clients or use a hybrid scheme that combines both strategies. However, existing metrics for comparing optimization methods typically do not distinguish between these strategies, which often incur different communication costs in practice. To address this disparity, we introduce a simple and natural model of federated optimization that quantifies communication and local computation complexities. This new model allows for several commonly used client-selection strategies and explicitly associates each with a distinct cost. Within this setting, we propose a new algorithm that achieves the best-known communication and local complexities among existing federated optimization methods for non-convex optimization. This algorithm is based on the inexact composite gradient method with a carefully constructed gradient estimator and a special procedure for solving the auxiliary subproblem at each iteration. The gradient estimator is based on SAGA, a popular variance-reduced gradient estimator. We first derive a new variance bound for it, showing that SAGA can exploit functional similarity. We then introduce the Recursive-Gradient technique as a general way to potentially improve the error bound of a given conditionally unbiased gradient estimator, including both SAGA and SVRG. By applying this technique to SAGA, we obtain a new estimator, RG-SAGA, which has an improved error bound compared to the original one.

We propose HALO, a memory-efficient hierarchical algorithm for solving large-scale optimal transport (OT) problems with squared Euclidean cost, particularly effective in moderate-dimensional settings. The core of \ours lies in combining a hierarchical representation of the OT problem with parallel-friendly linear programming solvers, within which an active pruning technique is integrated to further reduce memory usage and computational cost. Theoretically, we establish a scale-independent iteration-complexity upper bound for the refinement phase, which is consistent with our numerical observations. Numerically, experiments on the image dataset \dataset and the 3D point cloud dataset \datasetnongrid demonstrate that \ours effectively alleviates the memory and scalability bottlenecks of existing solvers. Our method demonstrates significant advantages compared to state-of-the-art baselines: for images with $n=1024^2$ pixels, it achieves an $8.9\times$ speedup and $70.5$% reduction in memory usage under comparable accuracy; for 3D point clouds at scale $n=2^{18}$, it achieves a $1.84\times$ speedup and an $83.2$% reduction in memory usage with $24.9$% lower transport cost.

The Muon optimizer is consistently faster than Adam in training Large Language Models (LLMs), yet the mechanism underlying its success remains unclear. This paper demystifies this mechanism through the lens of associative memory. By ablating the transformer components optimized by Muon, we reveal that the associative memory parameters of LLMs, namely the Value and Output (VO) attention weights and Feed-Forward Networks (FFNs), are the primary contributors to Muon’s superiority. Motivated by this associative memory view, we then explain Muon’s superiority on real-world corpora, which are intrinsically heavy-tailed: a few 'head' classes are extremely frequent, while a vast number of 'tail' classes are individually rare. The superiority is explained through two key properties: (i) its update rule consistently yields a more isotropic singular spectrum than Adam; and as a result, (ii) on heavy-tailed data, it optimizes tail classes more effectively than Adam. Beyond empirical evidence, we theoretically confirm these findings by analyzing a one-layer associative memory model under class-imbalanced data. We prove that Muon consistently achieves balanced learning across classes regardless of feature embeddings, whereas Adam can induce large disparities in learning errors depending on embedding properties. In summary, our empirical observations and theoretical analyses reveal Muon’s core advantage: its update rule aligns with the outer-product structure of linear associative memories, enabling more balanced and effective learning of tail classes in heavy-tailed distributions than Adam.

We propose MILPnet, a multi-scale hybrid attention framework that models Mixed Integer Linear Programming (MILP) problems as geometric sequences rather than graphs. This approach directly addresses the challenge of Foldable MILP instances, a class of problems that graph-based models, specifically Graph Neural Networks (GNNs), fail to distinguish due to expressiveness limits imposed by the Weisfeiler-Lehman test. By representing MILPs through sequences of constraint and objective features, MILPnet captures both local and global geometric structure using a theoretically grounded multi-scale attention mechanism. We theoretically prove that MILPnet can approximate feasibility, optimal objective value, and optimal solution mappings over a measurable topological space with arbitrarily small error. Empirically, MILPnet outperforms graph-based methods in feasibility prediction accuracy and convergence speed on Foldable MILPs, while using significantly fewer parameters. It also generalizes effectively among problem scales and demonstrates strong performance on real-world MILP benchmarks when integrated into an end-to-end solver pipeline. Our code is available.

While large language models (LLMs) are increasingly used as automated heuristic designers for vehicle routing problems (VRPs), current state-of-the-art methods predominantly rely on prompting massive, general-purpose models like GPT-4. This work challenges that paradigm by demonstrating that a smaller, specialized LLM, when meticulously fine-tuned, can generate components that surpass expert-crafted heuristics within advanced solvers. We propose RFTHGS, a novel Reinforcement learning (RL) framework for Fine-Tuning a compact LLM to generate high-performance crossover operators for the Hybrid Genetic Search (HGS) solver, applied to the Capacitated VRP (CVRP). Our method employs a multi-tiered, curriculum-based reward function that progressively guides the LLM to master generating first compilable, then executable, and finally, superior-performing operators that exceed human expert designs. This is coupled with an operator caching mechanism that discourages plagiarism and promotes diversity during training. Comprehensive experiments show that our fine-tuned LLM produces crossover operators which significantly outperform the expert-designed ones in HGS. The performance advantage remains consistent, generalizing from small-scale instances to large-scale problems with up to 1000 nodes. Furthermore, RFTHGS exceeds the performance of leading neuro-combinatorial baselines, prompt-based methods, and commercial LLMs such as GPT-4o and GPT-4o-mini.

Complex vehicle routing problems (VRPs) remain a fundamental challenge, demanding substantial expert effort for intent interpretation and algorithm design. While large language models (LLMs) offer a promising path toward automation, current approaches still rely on external intervention, which restrict autonomy and often lead to execution errors and low solution feasibility. To address these challenges, we propose an Agentic Framework with LLMs (AFL) for solving complex vehicle routing problems, achieving full automation from problem instance to solution. AFL directly extracts knowledge from raw inputs and enables self-contained code generation without handcrafted modules or external solvers. To improve trustworthiness, AFL decomposes the overall pipeline into three manageable subtasks and employs four specialized agents whose coordinated interactions enforce cross-functional consistency and logical soundness. Extensive experiments on 60 complex VRPs, ranging from standard benchmarks to practical variants, validate the effectiveness and generality of our framework, showing comparable performance against meticulously designed algorithms. Notably, it substantially outperforms existing LLM-based baselines in both code reliability and solution feasibility, achieving rates close to 100% on the evaluated benchmarks.

Given the query, key and value matrices $Q, K, V\in \mathbb{R}^{n\times d}$, the attention matrix is defined as $\mathrm{Att}(Q, K, V)=D^{-1}AV$ where $A=\exp(QK^\top/\sqrt{d})$ with $\exp(\cdot)$ applied entrywise, $D=\mathrm{diag}(A{\bf 1}_n)$. The attention matrix is the backbone of modern transformers and large language models, but explicitly forming the softmax matrix $D^{-1}A$ incurs $\Omega(n^2)$, motivating numerous approximation schemes that reduce runtime to $\widetilde O(nd)$ via sparsity or low-rank factorization. We propose a quantum data structure that approximates any row of $\mathrm{Att}(Q, K, V)$ using only row queries to $Q, K, V$. Our algorithm preprocesses these matrices in $\widetilde{O}\left( \epsilon^{-1} n^{0.5} \left( s_\lambda^{2.5} + s_\lambda^{1.5} d + \alpha^{0.5} d \right) \right)$ time, where $\epsilon$ is the target accuracy, $s_\lambda$ is the $\lambda$-statistical dimension of the exponential kernel defined by $Q$ and $K$, and $\alpha$ measures the row distortion of $V$ that is at most $d/{\rm srank}(V)$, the stable rank of $V$. Each row query can be answered in $\widetilde{O}(s_\lambda^2 + s_\lambda d)$ time. To our knowledge, this is the first quantum data structure that approximates rows of the attention matrix in sublinear time with respect to $n$. Our approach relies on a quantum Nystr{\"o}m approximation of the exponential kernel, quantum multivariate mean estimation for computing $D$, and quantum leverage score sampling for the multiplication with $V$.

AdamW has been the default optimizer for transformer pretraining. For many years, our community searched for faster and more stable optimizers with only constrained positive outcomes. In this work, we propose a \textbf{single-line modification in Pytorch} to any momentum-based optimizer, which we rename cautious optimizer, e.g. C-AdamW and C-Lion. Our theoretical result shows that this modification preserves Adam's Hamiltonian function and it does not break the convergence guarantee under the Lyapunov analysis. In addition, a whole new family of optimizers is revealed by our theoretical insight. Among them, we pick the simplest one for empirical experiments, showing not only consistent speed-up on LLM pretraining and post-training tasks, but also better results in MAE pretraining, with minimum extra tuning on hyperparameters.

Frontier AI models have achieved remarkable progress, yet recent studies suggest they struggle with compositional reasoning, often performing at or below random chance on established benchmarks. We revisit this problem and show that widely used evaluation metrics systematically underestimate model capability. To correct this artifact, we introduce a group matching score that more faithfully evaluates model capability. Moreover, correctness under the new metric can be translated into correctness under existing metrics via a simple overfitting step. This adjustment enables SigLIP-B16 to surpass all previous results and GPT-4.1 to yield the first result surpassing estimated human performance on Winoground. Building on this insight, we propose Test-Time Matching (TTM), an iterative, self-improving algorithm that further bootstraps model performance without any external supervision. TTM delivers additional, non-trivial improvements: for example, TTM enables SigLIP-B16 to surpass GPT-4.1 on MMVP-VLM, establishing a new state of the art. Importantly, TTM remains broadly effective even on benchmarks without metric-induced effects or group structures, achieving relative gains up to 85.7% on challenging datasets such as WhatsUp. Across 16 dataset variants spanning diverse setups, our experiments demonstrate that TTM consistently improves model performance and advances the frontier of compositional reasoning.

Accurate crowd simulation is crucial for public safety management, emergency evacuation planning, and intelligent transportation systems. However, existing methods, which typically model crowds as a collection of independent individual trajectories, are limited in their ability to capture macroscopic physical laws. This microscopic approach often leads to error accumulation and compromises simulation stability. Furthermore, deep learning-driven methods tend to suffer from low inference efficiency and high computational overhead, making them impractical for large-scale, efficient simulations. To address these challenges, we propose the Spatio-Temporal Decoupled Differential Equation Network (STDDN), a novel framework that guides microscopic trajectory prediction with macroscopic physics. We innovatively introduce the continuity equation from fluid dynamics as a strong physical constraint. A Neural Ordinary Differential Equation (Neural ODE) is employed to model the macroscopic density evolution driven by individual movements, thereby physically regularizing the microscopic trajectory prediction model. We design a density-velocity coupled dynamic graph learning module to formulate the derivative of the density field within the Neural ODE, effectively mitigating error accumulation. We also propose a differentiable density mapping module to eliminate discontinuous gradients caused by discretization and introduce a cross-grid detection module to accurately model the impact of individual cross-grid movements on local density changes. The proposed STDDN method has demonstrated significantly superior simulation performance compared to state-of-the-art methods on long-term tasks across four real-world datasets, as well as a major reduction in inference latency.

End-to-end backpropagation requires storing activations throughout all layers, creating memory bottlenecks that limit model scalability. Existing block-wise training methods offer means to alleviate this problem, but they rely on ad-hoc local objectives and remain largely unexplored beyond classification tasks. We propose $\textit{DiffusionBlocks}$, a principled framework for transforming transformer-based networks into genuinely independent trainable blocks that maintain competitive performance with end-to-end training. Our key insight leverages the fact that residual connections naturally correspond to updates in a dynamical system. With minimal modifications to this system, we can convert the updates to those of a denoising process, where each block can be learned independently by leveraging the score matching objective. This independence enables training with gradients for only one block at a time, thereby reducing memory requirements in proportion to the number of blocks. Our experiments on a range of transformer architectures (vision, diffusion, autoregressive, recurrent-depth, and masked diffusion) demonstrate that DiffusionBlocks training matches the performance of end-to-end training while enabling scalable block-wise training on practical tasks beyond small-scale classification. DiffusionBlocks provides a theoretically grounded approach that successfully scales to modern generative tasks across diverse architectures.

Reinforcement Learning (RL) has become the _de facto_ standard for tuning LLMs to solve tasks involving reasoning. However, growing evidence shows that models trained in such way often suffer from a significant loss in diversity. We argue that this arises because RL implicitly optimizes the "mode-seeking" or "zero-forcing" _Reverse KL_ to a target distribution causing the model to concentrate mass on certain high-probability regions of the target while neglecting others. In this work, we instead begin from an explicit target distribution, obtained by filtering out incorrect answers while preserving the relative probabilities of correct ones. Starting from a pre-trained LLM, we approximate this target distribution using the $\alpha$-divergence family, which unifies prior approaches and enables direct control of the precision–diversity trade-off by interpolating between mode-seeking and mass-covering divergences. On a Lean theorem-proving benchmark, our method achieves state-of-the-art performance along the coverage–precision Pareto frontier, outperforming all prior methods on the coverage axis.

The efficiency of GPU kernels is central to the progress of modern AI, yet optimizing them remains a difficult and labor-intensive task due to complex interactions between memory hierarchies, thread scheduling, and hardware-specific characteristics. While recent advances in large language models (LLMs) provide new opportunities for automated code generation, existing approaches largely treat LLMs as single-shot generators or naive refinement tools, limiting their effectiveness in navigating the irregular kernel optimization landscape. We introduce an LLM agentic framework for GPU kernel optimization that systematically explores the design space through multi-agent collaboration, grounded instruction, dynamic context management, and strategic search. This framework mimics the workflow of expert engineers, enabling LLMs to reason about hardware trade-offs, incorporate profiling feedback, and refine kernels iteratively. We evaluate our approach on KernelBench, a benchmark for LLM-based kernel optimization, and demonstrate substantial improvements over baseline agents: our system produces correct solutions where baselines often fail, and achieves kernels with up to 16$\times$ faster runtime performance. These results highlight the potential of agentic LLM frameworks to advance fully automated, scalable GPU kernel optimization.

We propose Guided Speculative Inference (GSI), a novel algorithm for efficient reward-guided decoding in large language models. GSI combines soft best-of-$n$ test-time scaling with a reward model $r(x,y)$ and speculative samples from a small auxiliary model $\pi_S(y\mid x)$. We provably approximate both the optimal tilted policy $\pi_{\beta,B}(y\mid x) \propto \pi_B(y\mid x)\exp(\beta\,r(x,y))$ of soft best-of-$n$ under the base model $\pi_B$, as well as the expected reward under the optimal policy. In experiments on reasoning benchmarks (MATH500, OlympiadBench, Minerva Math, MMLU-STEM, GSM8K) and across different model families, our method achieves higher accuracy than standard soft best-of-$n$ with $\pi_S$ and reward-guided speculative decoding (Liao et al., 2025), and in certain settings even outperforms soft best-of-$n$ with $\pi_B$, while reducing end-to-end latency by up to 28%.

As the size of large language models grows exponentially, GPU memory has become a bottleneck for adapting these models to downstream tasks. In this paper, we aim to push the limits of memory-efficient training by minimizing memory usage on model weights, gradients, and optimizer states, within a unified framework. Our idea is to eliminate both gradients and optimizer states using zeroth-order optimization, which approximates gradients by perturbing weights during forward passes to identify gradient directions. To minimize memory usage on weights, we employ model quantization, e.g., converting from bfloat16 to int4. However, directly applying zeroth-order optimization to quantized weights is infeasible due to the precision gap between discrete weights and continuous gradients, which would otherwise require de-quantization and re-quantization. To overcome this challenge, we propose Quantized Zeroth-order Optimization (QZO), a simple yet effective approach that perturbs the continuous quantization scale for gradient estimation and uses a directional derivative clipping method to stabilize training. QZO is orthogonal to both scalar-based and codebook-based post-training quantization methods. Compared to full-parameter fine-tuning in 16 bits, QZO can reduce the total memory cost by more than 18$\times$ for 4-bit LLMs, and enables fine-tuning Llama-2-13B within a single 24GB GPU.

Speculative sampling (SpS) has been successful in accelerating the decoding throughput of auto-regressive large language models by leveraging smaller draft models. SpS strictly enforces the generated distribution to match that of the verifier LLM. This is unnecessarily restrictive as slight variations of the verifier's distribution, such as sampling with top-$k$ or temperature, would also be acceptable. Typical acceptance sampling (TAS) alleviates this issue by accepting more tokens using entropy-based heuristics. However, this approach distorts the verifier distribution, potentially degrading output quality when the verifier encodes critical information. In this work, we formalize the speculative sampling algorithm through the lens of constrained optimization. Based on this formulation, we propose Cactus (**c**onstrained **ac**cep**t**ance spec**u**lative **s**ampling), a method that guarantees controlled divergence from the verifier distribution and increasing acceptance rates. Empirical results across a wide range of benchmarks confirm the effectiveness of our approach.

Mainstream ranking approaches typically follow a Generator–Evaluator two-stage paradigm, where a generator produces candidate lists and an evaluator selects the best one. Recent work has attempted to enhance performance by expanding the number of candidate lists, for example, through multi-generator settings. However, ranking involves selecting a recommendation list from a combinatorially large space, simply enlarging the candidate set remains ineffective, and performance gains quickly saturate. At the same time, recent advances in large recommendation models have shown that end-to-end one-stage models can achieve promising performance with the expectation of scaling laws. Motivated by this, we revisit ranking from a generator-only one-stage perspective. We theoretically prove that, for any (finite Multi-)Generator–Evaluator model, there always exists a generator-only model that achieves strictly smaller approximation error to the optimal ranking policy, while also enjoying a scaling law as its size increases. Building on this result, we derive an evidence upper bound of the one-stage optimization objective, from which we find that one can leverage a reward model trained on real user feedback to construct a reference policy in a group-relative manner. This reference policy serves as a practical surrogate of the optimal policy, enabling effective training of a large generator-only ranker. Based on these insights, we propose GoalRank, a generator-only ranking framework. Extensive offline experiments on public benchmarks and large-scale online A/B tests demonstrate that GoalRank consistently outperforms state-of-the-art methods.

State Space Models (SSMs) have emerged as powerful alternatives to attention-based Transformers, with Mamba demonstrating impressive efficiency and scalability. As these models grow increasingly larger, the need for Parameter-Efficient Fine-Tuning (PEFT) methods becomes critical to adapt pre-trained Mamba to downstream tasks without prohibitive computational costs. However, previous approaches simply apply traditional Transformer-tailored PEFT methods without addressing the unique temporal processing dynamics of SSMs. To address this limitation, we propose Memba, a membrane-driven PEFT approach specifically designed for Mamba. Memba introduces Leaky Integrate Membrane (LIM) neurons as bio-inspired gating mechanisms that naturally accumulate membrane potentials over time, enhancing selective information retention. By strategically combining LIM neurons with Low-Rank Adaptations (LoRA) and cross-layer membrane transfer, our approach significantly improves Mamba's temporal modeling capabilities. Extensive experiments across language and vision tasks demonstrate that Memba achieves substantial improvements over existing PEFT methods.

Maximizing conditional mutual information (CMI) has recently been shown to enhance the effectiveness of teacher networks in knowledge distillation (KD). Prior work achieves this by fine-tuning a pretrained teacher to maximize a proxy of its CMI. However, fine-tuning large-scale teachers is often impractical, and proxy-based optimization introduces inaccuracies. To overcome these limitations, we propose Differentiable JPEG-based Input Perturbation (DJIP), a plug-and-play framework that improves teacher–student knowledge transfer without modifying the teacher. DJIP employs a trainable differentiable JPEG layer inserted before the teacher to perturb teacher inputs in a way that directly increases CMI. We further introduce a novel alternating optimization algorithm to efficiently learn the coding parameters of the JPEG layer to maximize the perturbed CMI. Extensive experiments on CIFAR-100 and ImageNet, across diverse distillers and architectures, demonstrate that DJIP consistently improves student accuracy-achieving up to 4.11% gains-while remaining computationally lightweight and fully compatible with standard KD pipelines.

The Euclidean distance between wavelet scattering transform coefficients (known as paths) provides informative gradients for perceptual quality assessment of deep inverse problems in computer vision, speech, and audio processing. However, these transforms are computationally expensive when employed as differentiable loss functions for stochastic gradient descent due to their numerous paths, which significantly limits their use in neural network training. Against this problem, we propose "Scattering transform with Random Paths for machine Learning" (SCRAPL): a stochastic optimization scheme for efficient evaluation of multivariable scattering transforms. We implement SCRAPL for the joint time–frequency scattering transform (JTFS) which demodulates spectrotemporal patterns at multiple scales and rates, allowing a fine characterization of intermittent auditory textures. We apply SCRAPL to differentiable digital signal processing (DDSP), specifically, unsupervised sound matching of a granular synthesizer and the Roland TR-808 drum machine. We also propose an initialization heuristic based on importance sampling, which adapts SCRAPL to the perceptual content of the dataset, improving neural network convergence and evaluation performance. We make our code and audio samples available and provide SCRAPL as a Python package.

Neural networks (NNs) often have critical behavioural trade-offs that are set at design time with hyperparameters—such as reward weights in reinforcement learning or quantile targets in regression. Post-deployment, however, user preferences can evolve, making initial settings undesirable, necessitating potentially expensive retraining. To circumvent this, we introduce the task of Hyperparameter Trajectory Inference (HTI): to learn, from observed data, how a NN's conditional output distribution changes with its hyperparameters, and construct a surrogate model that approximates the NN at unobserved hyperparameter settings. HTI requires extending existing trajectory inference approaches to incorporate conditions, exacerbating the challenge of ensuring inferred paths are feasible. We propose an approach based on conditional Lagrangian optimal transport, jointly learning the Lagrangian function governing hyperparameter-induced dynamics along with the associated optimal transport maps and geodesics between observed marginals, which form the surrogate model. We incorporate inductive biases based on the manifold hypothesis and least-action principles into the learned Lagrangian, improving surrogate model feasibility. We empirically demonstrate that our approach reconstructs NN outputs across various hyperparameter spectra better than other alternatives.

While most autoregressive LLMs are constrained to one-by-one decoding, diffusion LLMs (dLLMs) have attracted growing interest for their potential to dramatically accelerate inference through parallel decoding. Despite this promise, the conditional independence assumption in dLLMs causes parallel decoding to ignore token dependencies, inevitably degrading generation quality when these dependencies are strong. However, existing works largely overlook these inherent challenges, and evaluations on standard benchmarks (e.g., math and coding) are not sufficient to capture the quality degradation caused by parallel decoding. To address this gap, we first provide an information-theoretic analysis of parallel decoding. We then conduct case studies on analytically tractable synthetic list operations from both data distribution and decoding strategy perspectives, offering quantitative insights that highlight the fundamental limitations of parallel decoding. Building on these insights, we propose ParallelBench, the first benchmark specifically designed for dLLMs, featuring realistic tasks that are trivial for humans and autoregressive LLMs yet exceptionally challenging for dLLMs under parallel decoding. Using ParallelBench, we systematically analyze both dLLMs and autoregressive LLMs, revealing that: (i) dLLMs under parallel decoding can suffer dramatic quality degradation in real-world scenarios, and (ii) current parallel decoding strategies struggle to adapt their degree of parallelism based on task difficulty, thus failing to achieve meaningful speedup without compromising quality. Our findings underscore the pressing need for innovative decoding methods that can overcome the current speed-quality trade-off. We release our benchmark to help accelerate the development of truly efficient dLLMs.

The Mixture of Experts (MoE) is an effective architecture for scaling large language models by leveraging sparse expert activation to balance performance and efficiency. However, under expert parallelism, MoE suffers from inference inefficiencies due to imbalanced token-to-expert assignment, where underloaded experts complete computations early but must wait for overloaded experts, leading to global delays. We define this phenomenon as the \textbf{\textit{Straggler Effect}}, as the most burdened experts dictate the overall inference latency. To address this, we first propose \textit{\textbf{Capacity-Aware Token Drop}}, which enforces expert capacity limits by discarding excess tokens from overloaded experts, effectively reducing load imbalance with minimal performance impact (e.g., $30\%$ speedup with only $0.9\%$ degradation on OLMoE). Next, given the presence of low-load experts remaining well below the capacity threshold, we introduce \textit{\textbf{Capacity-Aware Expanded Drop}}, which allows tokens to include additional local experts in their candidate set before enforcing strict local capacity constraints, thereby improving load balance and enhancing the utilization of underused experts. Extensive experiments on both language and multimodal MoE models demonstrate the effectiveness of our approach, yielding substantial gains in expert utilization, model performance, and inference efficiency, e.g., applying Expanded Drop to Mixtral-8$\times$7B-Instruct yields a {0.2\%} average performance improvement and a {1.85$\times$} inference speedup. The code is released at: https://github.com/CASE-Lab-UMD/Capacity-Aware-MoE.

Diffusion-based large language models (dLLMs) are trained to model extreme flexibility/dependence in the data-distribution; however, how to best utilize this at inference time remains an open problem. In this work, we uncover an interesting property of these models: dLLMs {trained on textual data} implicitly learn a mixture of semi-autoregressive experts, where different generation orders reveal different specialized behaviors. We show that committing to any single, fixed inference time schedule, a common practice, collapses performance by failing to leverage this latent ensemble. To address this, we introduce HEX (Hidden semi-autoregressive EXperts for test-time scaling), a training-free inference method that ensembles across heterogeneous block schedules. By doing a majority vote over diverse block-sized generation paths, HEX robustly avoids failure modes associated with any single fixed schedule. On reasoning benchmarks such as GSM8K, it boosts accuracy by up to 3.56× (from 24.72\% to 88.10\%), outperforming top-K margin inference and specialized fine-tuned methods like GRPO, without additional training. HEX even yields significant gains on MATH benchmark from 16.40\% to 40.00\%, scientific reasoning on ARC-C from 54.18\% to 87.80\%, and TruthfulQA from 28.36\% to 57.46\%. Our results establish test-time scaling as a powerful principle for dLLMs, showing that the sequence in which masking is done can play a significant role in test-time scaling/inferencing of dLLMs.

Diffusion large language models (dLLMs) generate text through iterative denoising, yet current decoding strategies discard rich intermediate predictions in favor of the final output. Our work here reveals a critical phenomenon, temporal oscillation, where correct answers often emerge in the middle process, but are overwritten in later denoising steps. To address this issue, we introduce two complementary methods that exploit temporal consistency: 1) Temporal Self-Consistency Voting, a training-free, test-time decoding strategy that aggregates predictions across denoising steps to select the most consistent output; and 2) a post-training method termed Temporal Consistency Reinforcement, which uses Temporal Semantic Entropy (TSE), a measure of semantic stability across intermediate predictions, as a reward signal to encourage stable generations. Empirical results across multiple benchmarks demonstrate the effectiveness of our approach. Using the negative TSE reward alone, we observe a remarkable average improvement of 24.7% on the Countdown dataset over an existing dLLM. Combined with the accuracy reward, we achieve absolute gains of 2.0% on GSM8K, 4.3% on MATH500, 6.6% on SVAMP, and 25.3% on Countdown, respectively. Our findings underscore the untapped potential of temporal dynamics in dLLMs and offer two simple yet effective tools to harness them.

Large pre-trained models (LPMs) serve as universal backbones for vision and language tasks, but continual learning (CL) with frozen LPMs remains challenging, since shallow adaptation modules face the stability–plasticity dilemma and are prone to catastrophic forgetting. To address this problem, we propose MaRS (Memory-adaptive Router with Statistical control), a modular framework that decouples stable representation from adaptive capacity through three components: a frozen encoder, a slot-based memory router, and a lightweight classifier. On this basis, we design two mechanisms: (i) Statistically-Grounded Slot Expansion (SGSE) formulates expansion as a statistical decision problem, ensuring controlled growth with guarantees on false alarms and detection delay; (ii) Dual-Stage Contrastive–Distillation Adaptation (DCDA) integrates new slots through supervised contrastive learning and knowledge distillation, preserving prior knowledge without raw replay. Experiments on diverse benchmarks show that MaRS achieves state-of-the-art performance in continual learning with frozen LPMs, combining adaptability, efficiency, and retention.

Mixture-of-Experts (MoE) architectures have demonstrated remarkable capabilities and scalability for large language models, but incur a substantial memory footprint due to redundant expert parameters. Existing compression approaches, particularly those based on low-rank decomposition, typically operate at the granularity of individual experts. However, such per-expert methods neglect structural redundancies shared across experts, limiting their compression efficiency and effectiveness. In this work, we introduce TD-MoE (Tensor Decomposition for MoE Compression), a data-aware method that jointly factorizes expert weights by capturing global dependencies. Our contributions are threefold: (i) Cross-expert tensorization with joint three-dimensional decomposition, which unifies all experts within a layer into a single tensor and captures shared structure beyond per-expert scope; (ii) A multi-linear whitening strategy, which decorrelates input and output features, yielding a more balanced and data-adaptive decomposition; (iii) A three-dimensional rank allocation mechanism, which dynamically assigns 3D decomposition ranks across dimensions to best meet a target compression ratio while minimizing the reconstruction error. Extensive experiments on Qwen2-57B-A14B and Mixtral-8×7B across seven commonsense reasoning benchmarks demonstrate that TD-MoE achieves almost lossless performance under 20\% parameter reduction, and delivers more than 11\% and 14\% gains over state-of-the-art decomposition-based baselines at 40\% and 60\% compression. Further ablation studies validate the effectiveness of each component, highlighting the importance of joint factorization, whitening, and rank allocation. Codes are available at https://github.com/ust-xu/TD-MoE.

Transformers are remarkably versatile and their design is largely consistent across a variety of applications. But are they optimal for any given task or dataset? The answer may be key for pushing AI beyond merely scaling current designs. Method. We present a method to optimize a transformer architecture for a given dataset, which we use as a tool to study optimal task-specific inductive biases. This method replaces the most important non-linearities (GeLUs,;softmax) with functions learned on held-out data. We then train the resulting architectures on other datasets, as a way to evaluate the compatibility between pairs of tasks. Findings. On algorithmic toy tasks, we identify new architectures with dramatic improvements in learning speed, in- and out-of-distribution generalization, and stability across seeds. The new designs prove very task-specific however, and indicate that these tasks require inductive biases very different from those of standard transformers. On code and language modeling datasets, we also find architectures with consistent, yet smaller improvements. These designs transfer much better across datasets and domains (English & computer code). Implications. Our results show that standard transformers are rarely a local optimum in the space of architectures. Simple alternatives can perform much better but sacrifice universality. This suggests that there may be room for improved architectures that better support multiple capabilities simultaneously, such as fluency and robust reasoning.

Mixture-of-Experts (MoE) architectures employ sparse activation to deliver faster training and inference with higher accuracy than dense LLMs. However, in production serving, MoE models require batch inference to optimize hardware efficiency, which may cause excessive expert activation and thus slow the memory-bound decoding stage. To address the fundamental tension between batch decoding and expert sparsity, we present **SERE**, a **S**imilarity-based **E**xpert **R**e-routing method for **E**fficient batch decoding in MoE models. SERE dynamically reduces the number of active experts in an input-aware manner by re-routing tokens from secondary experts to their most similar primary counterparts. It also leverages similarity patterns to identify and preserve critical experts, thereby preventing capability loss. Notably, SERE avoids static expert pruning or merging, instead enabling dynamic expert skipping based on batch-level expert redundancy. Additionally, we provide an efficient custom CUDA kernel for SERE, enabling plug-and-play use in vLLM with only a single-line code change. Extensive experiments on various complex reasoning benchmarks demonstrate that SERE achieves up to $2.0\times$ speedup with minimal quality loss, providing a practical solution for cost-efficient and latency-sensitive large-scale MoE deployment.

Dataset distillation (DD) has emerged as a promising approach to compress datasets and speed up model training. However, the underlying connections among various DD methods remain largely unexplored. In this paper, we introduce UniDD, a spectral filtering framework that unifies diverse DD objectives. UniDD interprets each DD objective as a specific filter function applied to the eigenvalues of the feature-feature correlation (FFC) matrix to extract certain frequency information of the feature-label correlation (FLC) matrix. In this way, UniDD reveals that the essence of DD fundamentally lies in matching frequency-specific features. Moreover, we characterize the roles of different filters. For example, low-pass filters, \eg, DM and DC, capture blurred patches, while high-pass filters, \eg, MTT and FrePo, prefer to synthesize fine-grained textures and have better diversity. However, existing methods can only learn the sole frequency information as they rely on fixed filter functions throughout distillation. To address this limitation, we further propose Curriculum Frequency Matching (CFM), which gradually adjusts the filter parameter to cover both low- and high-frequency information of the FFC and FLC matrices. Extensive experiments on small-scale datasets, such as CIFAR-10/100, and large-scale ImageNet-1K, demonstrate the superior performance of CFM over existing baselines and validate the practicality of UniDD.

State-of-the-art sparse attention methods for reducing decoding latency fall into two main categories: approximate top-$k$ (and its extension, top-$p$) and recently introduced sampling-based estimation. However, these approaches are fundamentally limited in their ability to approximate full attention: they fail to provide consistent approximations across heads and query vectors and, most critically, lack guarantees on approximation quality, limiting their practical deployment. We observe that top-$k$ and random sampling are complementary: top-$k$ performs well when attention scores are dominated by a few tokens, whereas random sampling provides better estimates when attention scores are relatively uniform. Building on this insight and leveraging the statistical guarantees of sampling, we introduce vAttention, the first practical sparse attention mechanism with user-specified $(\epsilon, \delta)$ guarantees on approximation accuracy. These guarantees make vAttention a compelling step toward practical, reliable deployment of sparse attention at scale. By unifying top-k and sampling, vAttention outperforms both individually, delivering a superior quality–efficiency trade-off. Our experiments show that vAttention significantly improves the quality of sparse attention (e.g., $\sim$4.5 percentage points for Llama-3.1-8B-Inst and Deepseek-R1-Distill-Llama-8B on RULER-HARD ), and effectively bridges the gap between full and sparse attention (e.g., across datasets, it matches full model quality at 10x–20x sparsity). We also demonstrate that it can be deployed in long-generation scenarios to achieve fast decoding without compromising model quality (e.g., vAttention achieves full model quality on AIME2024 at 10\% sparsity with up to 32K token generations).

State-space models (SSMs) offer efficient alternatives to attention with linear-time recurrence. Mamba2, a recent SSM-based language model, uses selective input gating and a multi-head structure, enabling parallel computation and strong benchmark performance. However, its multi-head recurrence operates independently without structured utilization or analysis. In this work, we propose a novel method called **H**ierarchical **AD**aptive filter bank for **E**fficient **S**SMs (*HADES*), a Graph Signal Processing (GSP)-inspired framework that reinterprets Mamba2 as an adaptive filter bank on a line graph. Our hierarchical architecture introduces two filter types: shared filters for global low-pass behavior and expert filters for local high-pass behavior, achieved through structured bias on the parameter $\Delta$. *HADES* achieves comparable performance to baseline models including Mamba2 across various benchmarks in language modeling, commonsense reasoning, and long-context retrieval, while using only **58.9%** of the original parameters. In this regard, *HADES* bridges GSP and neural sequence modeling, enabling efficient, hierarchical, and interpretable filtering within state-space models.

Standard attention stores keys/values losslessly but reads them via a per-head convex average, blocking channel-wise selection. We propose the Free Energy Mixer (FEM): a free-energy (log-sum-exp) read that applies a value-driven, per-channel log-linear tilt to a fast prior (e.g., from queries/keys in standard attention) over indices. Unlike methods that attempt to improve and enrich the $(q,k)$ scoring distribution, FEM treats it as a prior and yields a value-aware posterior read at unchanged complexity, smoothly moving from averaging to per-channel selection as the learnable inverse temperature increases, while still preserving parallelism and the original asymptotic complexity ($O(T^2)$ for softmax; $O(T)$ for linearizable variants). We instantiate a two-level gated FEM that is plug-and-play with standard and linear attention, linear RNNs and SSMs. It consistently outperforms strong baselines on NLP, vision, and time-series at matched parameter budgets.

Memory and computation remain core bottlenecks in long-horizon LLM inference due to the quadratic cost of self-attention and the ever-growing key-value (KV) cache. Existing strategies for memory-bounded inference, such as quantization, offloading, or heuristic KV eviction, either incur high orchestration costs or rely on unreliable attention-based proxies of importance. We propose TRIM-KV, a novel approach that learns each token’s intrinsic importance at creation time via a lightweight retention gate. Each gate predicts a scalar retention score that decays over time, reflecting the long-term utility of the token for a specific layer and head. Tokens with low scores are evicted when the memory budget is exceeded, ensuring that the cache always contains the most critical tokens. TRIM-KV is trained efficiently through distillation from a frozen LLM combined with a capacity loss, requiring only gate fine-tuning and adding negligible inference overhead. Across mathematical reasoning (GSM8K, MATH-500, AIME24), procedural generation (LongProc), conversational long-memory benchmarks (LongMemEval), and long-context understanding (LongBenchV2 and SCBench), TRIM-KV consistently outperforms strong eviction and learnable retrieval baselines, especially in low-memory regimes. Remarkably, it even surpasses full-cache models in some settings, showing that selective retention can serve as a form of regularization, suppressing noise from uninformative tokens. Qualitative analyses further reveal that learned retention scores align with human intuition, naturally recovering heuristics such as sink tokens, sliding windows, and gist compression without explicit design. Beyond efficiency, retention scores provide insights into layer- and head-specific roles, suggesting a new path toward LLM interpretability.

We present GRAPE (Group RepresentAtional Position Encoding), a unified framework for positional encoding based on group actions. GRAPE brings together two families of mechanisms: (i) multiplicative rotations (Multiplicative GRAPE) in $\operatorname{SO}(d)$ and (ii) additive logit biases (Additive GRAPE) arising from unipotent actions in the general linear group $\mathrm{GL}$. In Multiplicative GRAPE, a position $n\in\mathbb{Z}$ (or $t\in\mathbb{R}$) acts as $\mathbf{G}(n)=\exp(n\,\omega\,\mathbf{L})$ with a rank‑2 skew generator $\mathbf{L} \in \mathbb{R}^{d \times d}$, yielding a relative, compositional, norm‑preserving map with a closed‑form matrix exponential. RoPE is recovered exactly when the $d/2$ planes are the canonical coordinate pairs with log‑uniform spectrum. Learned commuting subspaces and compact non‑commuting mixtures strictly extend this geometry to capture cross-subspace feature coupling at $O(d)$ and $O(rd)$ cost per head, respectively. In Additive GRAPE, additive logits arise as rank‑1 (or low‑rank) unipotent actions, recovering ALiBi and the Forgetting Transformer (FoX) as exact special cases while preserving an exact relative law and streaming cacheability. Altogether, GRAPE supplies a principled design space for positional geometry in long‑context models, subsuming RoPE and ALiBi as special cases.

Recent works show that hybrid architectures combining sliding window softmax attention layers with linear recurrent neural network (RNN) layers outperform both of these architectures taken separately. However, the impact of the window length and the interplay between softmax attention and linear RNN layers remain under-studied. In this work, we introduce SWAX, a hybrid architecture consisting of sliding-window attention and xLSTM linear RNN layers. A counter-intuitive finding with SWAX is that larger sliding windows do not improve the long-context performance. In fact, short window attention encourages the model to better train the long-term memory of the xLSTM, by relying less on the softmax attention mechanism for long context-retrieval. The issue with small sliding windows is that they are detrimental for short-context tasks, which could be solved with information from moderately larger sliding windows otherwise. Therefore, we train SWAX by stochastically changing the sliding window size, forcing the model to leverage both a longer context window and the xLSTM memory. SWAX trained with stochastic window sizes significantly outperforms regular window attention both on short and long-context problems.

Multi-Head Latent Attention (MLA) is a recent attention mechanism adopted in state-of-the-art LLMs such as DeepSeek-v3 and Kimi K2. Thanks to its novel formulation, MLA allows two functionally equivalent but computationally distinct kernel implementations: naive and absorb. While the naive kernels (e.g., FlashAttention) are typically preferred in training and prefill for their computational efficiency, existing decoding kernels (e.g., FlashMLA) rely on the absorb method to minimize HBM bandwidth usage. However, the compute-bound nature of the absorb implementations prohibits performance benefits from data reuse opportunities in attention calculations, such as shared prefixes. In this work, we introduce TyphoonMLA, a hybrid approach that combines naive and absorb formulations to harness the strengths of both. TyphoonMLA effectively leverages the shared prefix by applying the naive formulation to the compute-bound parts of attention calculations, while reducing the bandwidth requirements for non-shared parts by using the absorb formulation. As a result, TyphoonMLA improves the throughput of attention calculations in MLA architectures by up to 3× and 3.24× on NPU and GPUs, and boosts end-to-end throughput by up to 1.48× in tokens per second, with only a 3\% overhead in HBM size.

Attention learners, neural networks built on the attention mechanism, e.g., transformers, excel at learning the implicit relationships that relate sequences to their corresponding properties, e.g., mapping a given sequence of tokens to the probability of the next token. However, the learning process tends to be costly. To address this, we present a novel paradigm named Attention Neural Teaching (AtteNT) that reinterprets the learning process through a nonparametric teaching perspective. Specifically, the latter provides a theoretical framework for teaching mappings that are implicitly defined (i.e., nonparametric) via example selection. Such an implicit mapping is embodied through a dense set of sequence-property pairs, with the AtteNT teacher selecting a subset to accelerate convergence in attention learner training. By analytically investigating the role of attention on parameter-based gradient descent during training, and recasting the evolution of attention learners, shaped by parameter updates, through functional gradient descent in nonparametric teaching, we show for the first time that teaching attention learners is consistent with teaching importance-adaptive nonparametric learners. These new findings readily commit AtteNT to enhancing learning efficiency of attention learners. Specifically, we observe training time reductions of 13.01% for LLMs and 20.58% for ViTs, spanning both fine-tuning and training-from-scratch regimes. Crucially, these gains are achieved without compromising accuracy; in fact, performance is consistently preserved and often enhanced across a diverse set of downstream tasks.

We propose succinctness as a measure of expressive power of a transformer in describing a concept. To this end, we prove that transformers are highly expressive in that they can represent formal languages substantially more succinctly than standard representations of formal languages like finite automata and Linear Temporal Logic (LTL) formulas. As a by-product of this expressivity, verifying even simple properties of transformers is shown to be provably intractable (i.e. EXPSPACE-complete).

Error correcting codes (ECCs) are a fundamental technique for ensuring reliable communication over noisy channels. Recent advances in deep learning have enabled transformer-based decoders to achieve state-of-the-art performance on short codes; however, their computational complexity remains significantly higher than that of classical decoders due to the attention mechanism. To address this challenge, we propose EfficientMPT, an efficient message-passing transformer that significantly reduces computational complexity while preserving decoding performance. A key feature of EfficientMPT is the Efficient Error Correcting (EEC) attention mechanism, which replaces expensive matrix multiplications with lightweight vector-based element-wise operations. Unlike standard attention, EEC attention relies only on query-key interaction using global query vector, efficiently encode global contextual information for ECC decoding. Furthermore, EfficientMPT can serve as a foundation model, capable of decoding various code classes and long codes by fine-tuning. In particular, EfficientMPT achieves 85% and 91% of significant memory reduction and 47% and 57% of FLOPs reduction compared to ECCT for $(648,540)$ and $(1056,880)$ standard LDPC code, respectively.

Attention steering is an important technique for controlling model focus, enabling capabilities such as prompt highlighting, where the model prioritises user-specified text. However, existing attention steering methods require explicit storage of the full attention matrix, making them incompatible with memory-efficient implementations like FlashAttention. We introduce Spectral Editing Key Amplification (SEKA), a training-free steering method that tackles this by directly editing key embeddings before attention computation. SEKA uses spectral decomposition to steer key embeddings towards latent directions that amplify attention scores for certain tokens. We extend this to Adaptive SEKA (AdaSEKA), a query-adaptive variant that uses a training-free routing mechanism to dynamically combine multiple expert subspaces based on the prompt's semantic intent. Our experiments show both methods significantly outperform strong baselines on standard steering benchmarks while adding much lower latency and memory overhead, in compatibility with optimised attention.

Transformers robustly exhibit the ability to perform in-context learning, whereby their predictive accuracy on a task can increase not by parameter updates but merely with the placement of training samples in their context windows. Recent works have shown that transformers achieve this by implementing gradient descent in their forward passes. Such results, however, are restricted to standard transformer architectures, which handle finite-dimensional inputs. In the space of PDE surrogate modeling, a generalization of transformers to handle infinite-dimensional function inputs, known as "continuum transformers", has been proposed and similarly observed to exhibit in-context learning. Despite impressive empirical performance, such in-context learning has yet to be theoretically characterized. We herein demonstrate that continuum transformers perform in-context operator learning by performing gradient descent in an operator RKHS. We demonstrate this using novel proof strategies that leverage a generalized representer theorem for Hilbert spaces and gradient flows over the space of functionals on a Hilbert space. We further show the operator learned in context is the Bayes Optimal Predictor in the infinite depth limit of the transformer. We then provide empirical validations of this result and demonstrate that the parameters under which such gradient descent is performed are recovered through pre-training.

Sequence modelling requires determining which past tokens are causally relevant from the context and their importance: a process inherent to the attention layers in transformers, yet whose underlying learned mechanisms remain poorly understood. In this work, we formalize the task of estimating token importance as an in-context learning problem by introducing a framework based on Mixture of Transition Distributions, where a latent variable determines the influence of past tokens on the next. The distribution over this latent variable is parameterized by unobserved mixture weights that transformers must learn in-context. We demonstrate that transformers can implement Mirror Descent to learn these weights from the context. Specifically, we give an explicit construction of a three-layer transformer that exactly implements one step of Mirror Descent and prove that the resulting estimator is a first-order approximation of the Bayes-optimal predictor. Corroborating our construction and its learnability via gradient descent, we empirically show that transformers trained from scratch learn solutions consistent with our theory: their predictive distributions, attention patterns, and learned transition matrix closely match the construction, while deeper models achieve performance comparable to multi-step Mirror Descent.

The Transformer model architecture has become one of the most widely used in deep learning and the attention mechanism is at its core. The standard attention formulation uses a softmax operation applied to a scaled dot product between query and key vectors. We explore the role played by norms of the queries and keys, which can cause training instabilities when they arbitrarily increase. We demonstrate how this can happen even in simple Transformer models, in the presence of easy-to-learn spurious patterns in the data. We propose a new attention formulation, QUEry-modulated Spherical aTtention (QUEST), that constrains the keys to a hyperspherical latent space, while still allowing individual tokens to flexibly control the sharpness of the attention distribution. QUEST can be easily used as a drop-in replacement for standard attention. We focus on vision applications while also exploring other domains to highlight the method's generality. We show that (1) QUEST trains without instabilities and (2) produces models with improved performance (3) that are robust to data corruptions and adversarial attacks.

Large language models (LLMs) suffer from hallucination and context forgetting. Prior studies suggest that attention drift is a primary cause of these problems, where LLMs' focus shifts towards newly generated tokens and away from the initial input context. To address this, we make use of a related, intrinsic characteristic of LLMs: attention sink – the tendency to consistently allocate high attention to the very first token (i.e., ⟨BOS⟩) of a sequence. Concretely, we propose an advanced context anchoring method, SINKTRACK, which treats ⟨BOS⟩ as an information anchor and injects key contextual features (such as those derived from the input image or instruction) into its representation. As such, LLM remains anchored to the initial input context throughout the entire generation process. SINKTRACK is training-free, plug-and-play, and introduces negligible inference overhead. Experiments demonstrate that SINKTRACK mitigates hallucination and context forgetting across both textual (e.g., +18.9% on QuAC with Llama3.1-8B-Instruct) and multi-modal (e.g., +23.0% on M3CoT with Qwen2.5-VL-7B-Instruct) tasks. Its consistent gains across different architectures and scales underscore the robustness and generalizability. We also analyze its underlying working mechanism from the perspective of information delivery. Our source code is available at anonymous GitHub.

Token-level attention tuning -- a class of training-free methods including Post-hoc Attention Steering (PASTA) and Attention Calibration (ACT) -- has emerged as a promising approach for improving frozen LLMs via interpretable interventions. However, these methods rely on auxiliary heuristics to identify important task-specific tokens, which can introduce bias and limit applicability when token importance is ambiguous or when optimized kernels make attention maps inaccessible. We propose a simpler alternative: intervening only on the initial token (e.g., in LLaMA). We theoretically show that adding lightweight biases to this token’s attention logits systematically shifts and reshapes downstream attention patterns -- an effect amplified by its natural role as an attention sink. Empirically, we find that this tuning can improve LLM performance and better elicit pretrained knowledge, with stronger effects in early layers and distinct scaling preferences across attention heads. Building on these findings, we introduce ZeroTuning, a training-free method that improves LLM performance by applying head-specific attention adjustments to the initial token, requiring no parameter updates. We present two variants: a supervised mode that calibrates on validation examples, and an unsupervised mode that directly minimizes output entropy. ZeroTuning requires no KV-cache or decoding changes and is kernel-agnostic (works with SDPA and FlashAttention). It requires only four lines of modification to standard \texttt{LlamaAttention} code, achieves gains across 15 datasets, and outperforms prior, more complex methods. For example, on Llama-3.1-8B, it yields relative improvements of 19.9% on classification, 4.5% on question answering, and 2.1% on dialogue. ZeroTuning also works out of the box with quantized inference and maintains its improvements as context length increases. Our work provides a lightweight tool for inference-time improvement, advancing both optimization and interpretability. Our code and runnable demo are available at https://anonymous.4open.science/r/ZeroTuning.

Linear sequence modeling methods, such as linear attention, state space modeling, and linear RNNs, offer significant efficiency improvements by reducing the complexity of training and inference. However, these methods typically compress the entire input sequence into a single fixed-size memory state, which leads to suboptimal performance on recall-intensive tasks. To address this limitation, we introduce a novel architecture called Mixture-of-Memories (MoM). MoM utilizes multiple independent memory states, with a router network directing input tokens to specific memory states. This approach greatly enhances the overall memory capacity while minimizing memory interference. MoM serves as a general framework that can be seamlessly combined with diverse memory update mechanisms across linear models. As a result, MoM performs exceptionally well on recall-intensive tasks, surpassing existing linear sequence modeling techniques. Despite incorporating multiple memory states, the computation of each memory state remains linear in complexity, allowing MoM to retain the linear-complexity advantage during training, while constant-complexity during inference. Our experimental results show that MoM outperforms current linear sequence models on downstream language tasks, particularly recall-intensive tasks, and even achieves performance comparable to Transformer models.

Transformer-based deep learning methods have emerged as the standard approach to model diverse data such as sequences, images, and graphs. These methods rely on self-attention, which treats data as an unordered set of elements. This ignores the neighborhood structure or graph topology of the data and requires the use of inductive biases, such as position embeddings in sequences and images, and random walks in graphs, to incorporate topology. However, developing bespoke inductive biases for each task requires significant effort and can also introduce side-effects hindering generalization. In this work, we introduce Chimera, a unified model that directly incorporates the data topology in a principled way, obviating the need for domain-specific biases. Central to Chimera is the observation that state-space models---which naturally do not require position embeddings---can be generalized to capture any general graph topology. Our experiments demonstrate the versatility of our approach---Chimera achieves strong performance across the domains of language, vision, and graphs, outperforming BERT on GLUE by 0.7 points, ViT on ImageNet-1k by 2.6%, and all the baselines on the Long Range Graph Benchmark. Our results validate Chimera's principled methodological contributions and affirm the long-held belief that data topology is a powerful inductive bias across modalities. We further propose algorithmic optimizations to improve Chimera's efficiency while maintaining performance: 1) For the subclass of Directed Acyclic Graphs we show that Chimera can be implemented as a linear time recurrence. 2) For general graphs, we relax the method with a simple mathematical approximation, achieving Transformer's quadratic complexity without relying on domain-specific biases.

Transformer-based models have recently become wildly successful across a diverse set of domains. At the same time, recent work has shown empirically and theoretically that Transformers are inherently limited. Specifically, they argue that as model depth increases, Transformers oversmooth, i.e., inputs become more and more similar. A natural question is: How can Transformers achieve these successes given this shortcoming? In this work we test these observations empirically and theoretically and uncover a number of surprising findings. We find that there are cases where feature similarity increases but, contrary to prior results, this is not inevitable, even for existing pre-trained models. Theoretically, we show that smoothing behavior depends on the eigenspectrum of the value and projection weights. We verify this empirically and observe that the sign of layer normalization weights can influence this effect. Our analysis reveals a simple way to parameterize the weights of the Transformer update equations to influence smoothing behavior. We hope that our findings give ML researchers and practitioners additional insight into how to develop future Transformer-based models.

Discrete diffusion models have recently shown great promise for modeling complex discrete data, with masked diffusion models (MDMs) offering a compelling trade-off between quality and generation speed. MDMs denoise by progressively unmasking multiple dimensions from an all-masked input, but their performance can degrade when using few denoising steps due to limited modeling of inter-dimensional dependencies. In this paper, we propose Variational Autoencoding Discrete Diffusion (VADD), a novel framework that enhances discrete diffusion with latent variable modeling to implicitly capture correlations among dimensions. By introducing an auxiliary recognition model, VADD enables stable training via variational lower bounds maximization and amortized inference over the training set. Our approach retains the efficiency of traditional MDMs while significantly improving sample quality, especially when the number of denoising steps is small. Empirical results on 2D toy data, pixel-level image generation, and text generation demonstrate that VADD consistently outperforms MDM baselines.

Generative classifiers, which leverage conditional generative models for classification, have recently demonstrated desirable properties such as robustness to distribution shifts. However, recent progress in this area has been largely driven by diffusion-based models, whose substantial computational cost limits their scalability in practice. To address the efficiency concern, we investigate generative classifier built upon recent advances in visual autoregressive (VAR) modeling. Owing to their tractable likelihood, VAR-based generative classifier enable significantly more efficient inference compared to diffusion-based counterparts. Building on this foundation, we introduce the Adaptive VAR Classifier$^+$ (A-VARC$^+$), which further improves accuracy while reducing computational cost, substantially enhancing practical usability. Beyond efficiency, we also study several properties of VAR-based generative classifiers that distinguish them from conventional discriminative models. In particular, the tractable likelihood facilitates visual explainability via token-wise mutual information, and the model naturally adapts to class-incremental learning without requiring additional replay data.

Catastrophic forgetting remains a central obstacle for continual learning in neural models. Popular approaches---replay and elastic weight consolidation (EWC)---have limitations: replay requires a strong generator and is prone to distributional drift, while EWC implicitly assumes a shared optimum across tasks and typically uses a diagonal Fisher approximation. In this work, we study the gradient geometry of diffusion models, which can already produce high-quality replay data. We provide theoretical and empirical evidence that, in the low signal-to-noise ratio (SNR) regime, per-sample gradients become strongly collinear, yielding an empirical Fisher that is effectively rank-1 and aligned with the mean gradient. Leveraging this structure, we propose a rank-1 variant of EWC that is as cheap as the diagonal approximation yet captures the dominant curvature direction. We pair this penalty with a replay-based approach to encourage parameter sharing across tasks while mitigating drift. On class-incremental image generation datasets (MNIST, FashionMNIST, CIFAR-10, ImageNet-1k), our method consistently improves average FID and reduces forgetting relative to replay-only and diagonal-EWC baselines. In particular, forgetting is nearly eliminated on MNIST and FashionMNIST and is roughly halved on ImageNet-1k. These results suggest that diffusion models admit an approximately rank-1 Fisher. With a better Fisher estimate, EWC becomes a strong complement to replay: replay encourages parameter sharing across tasks, while EWC effectively constrains replay-induced drift.

Category-agnostic pose estimation (CAPE) aims to localize keypoints on query images from arbitrary categories, using only a few annotated support examples for guidance. Recent approaches either treat keypoints as isolated entities or rely on manually defined skeleton priors, which are costly to annotate and inherently inflexible across diverse categories. Such oversimplification limits the model’s capacity to capture instance-wise structural cues critical for accurate pixel-level localization. To overcome these limitations, we propose \textbf{GenCape}, a \textbf{Gen}erative-based framework for \textbf{CAPE} that infers keypoint relationships solely from image-based support inputs, without additional textual descriptions or predefined skeletons. Our framework consists of two principal components: an iterative Structure-aware Variational Autoencoder (i-SVAE) and a Compositional Graph Transfer (CGT) module. The former infers soft, instance-specific adjacency matrices from support features through variational inference, embedded layer-wise into the Graph Transformer Decoder for progressive structural priors refinement. The latter adaptively aggregates multiple latent graphs into a query-aware structure via Bayesian fusion and attention-based reweighting, enhancing resilience to visual uncertainty and support-induced bias. This structure-aware design facilitates effective message propagation among keypoints and promotes semantic alignment across object categories with diverse keypoint topologies. Experimental results on the MP-100 dataset show that our method achieves substantial gains over graph-support baselines under both 1- and 5-shot settings, while maintaining competitive performance against text-support counterparts.

Diffusion bridge models have recently become a powerful tool in the field of generative modeling. In this work, we leverage their power to address another important problem in machine learning and information theory, the estimation of the mutual information (MI) between two random variables. Neatly framing MI estimation as a domain transfer problem, we construct an unbiased estimator for data posing difficulties for conventional MI estimators. We showcase the performance of our estimator on three standard MI estimation benchmarks, i.e., low-dimensional, image-based and high MI, and on real-world data, i.e., protein language model embeddings.

Discrete latent bottlenecks in variational autoencoders (VAEs) offer high bit efficiency and can be modeled with autoregressive discrete distributions, enabling parameter-efficient multimodal search with transformers. However, discrete random variables do not allow for exact differentiable parameterization; therefore, discrete VAEs typically rely on approximations, such as Gumbel-Softmax reparameterization or straight-through gradient estimates, or employ high-variance gradient-free methods such as REINFORCE that have had limited success on high-dimensional tasks such as image reconstruction. Inspired by popular techniques in policy search, we propose a training framework for discrete VAEs that leverages the natural gradient of a non-parametric encoder to update the parametric encoder without requiring reparameterization. Our method, combined with automatic step size adaptation and a transformer-based encoder, scales to challenging datasets such as ImageNet and outperforms both approximate reparameterization methods and quantization-based discrete autoencoders in reconstructing high-dimensional data from compact latent spaces.

The performance of flow matching and diffusion models can be greatly improved at inference time using reward adaptation algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a common bottleneck is the sampling method these algorithms rely on: many algorithms require to sample Markov transitions via SDE sampling, which is significantly less efficient and often less performant than ODE sampling. To remove this bottleneck, we introduce GLASS Flows, a new sampling paradigm that simulates a ''flow matching model within a flow matching model'' to sample Markov transitions. As we show in this work, this ''inner'' flow matching model can be retrieved from any pre-trained model without any re-training, effectively combining the efficiency of ODEs with the stochastic evolution of SDEs. On large-scale text-to-image models, we show that GLASS Flows eliminate the trade-off between stochastic evolution and efficiency. GLASS Flows improve state-of-the-art performance in text-to-image generation, making it a simple, drop-in solution for inference-time scaling of flow and diffusion models.

Mixture-of-Experts (MoE) in Large Language Models (LLMs) routes each token through a subset of specialized Feed-Forward Networks (FFN), known as experts. We present SteerMoE, a framework to steer MoE models by detecting and controlling behavior-associated experts. We detect key experts by comparing how often they activate between paired inputs that demonstrate opposite behaviors (e.g., safe vs. unsafe). By selectively activating or deactivating such experts during inference, we control behaviors like faithfulness and safety without fine-tuning. Across 11 benchmarks and 6 LLMs, our steering raises safety by up to +20% and faithfulness by +27%. Alternatively, unsafe steering drops safety by -41% alone, and -100% when combined with existing jailbreak methods, bypassing all safety guardrails. Overall, SteerMoE offers a lightweight, effective, and widely applicable test-time control, while revealing unique vulnerabilities in MoE LLMs.

Recent work shows that, beyond discrete reasoning through explicit chain-of-thought steps, which are limited by the boundaries of natural languages, large language models (LLMs) can also reason continuously in latent space, allowing richer information per step and thereby improving token efficiency. Despite this promise, latent reasoning still faces two challenges, especially in training-free settings: 1) purely latent reasoning broadens the search distribution by maintaining multiple implicit paths, which diffuses probability mass, introduces noise, and impedes convergence to a single high-confidence solution, thereby hurting accuracy; and 2) overthinking persists even without explicit text, wasting tokens and degrading efficiency. To address these issues, we introduce SwiReasoning, a training-free framework for LLM reasoning which features two key innovations: 1) SwiReasoning dynamically switches between explicit and latent reasoning, guided by block-wise confidence estimated from entropy trends in next-token distributions, to balance exploration and exploitation and promote timely convergence. 2) By limiting the maximum number of thinking-block switches, SwiReasoning curbs overthinking and improves token efficiency across varying problem difficulties. On widely used mathematics, STEM, coding, and general benchmarks, SwiReasoning consistently improves average accuracy by 1.8%–3.1% across reasoning LLMs of different model families and scales. Furthermore, under constrained budgets, SwiReasoning improves average token efficiency by 57%-79%, with larger gains as budgets tighten.

Directed graphs naturally model systems with asymmetric, ordered relationships, essential to applications in biology, transportation, social networks, or visual understanding. Generating such graphs enables simulation, data augmentation and novel instance discovery; however, this task remains underexplored. We identify two key reasons: first, modeling edge directionality introduces a substantially larger dependency space, making the underlying distribution harder to learn; second, the absence of standardized benchmarks hinders rigorous evaluation. Addressing the former limitation requires more expressive models that are sensitive to directional topologies. Thus, we propose Directo, the first generative model for directed graphs built upon the discrete flow matching framework. Our approach combines: (i) a dual-attention mechanism distinctly capturing incoming and outgoing dependencies, (ii) a robust, discrete generative framework, and (iii) principled positional encodings tailored to asymmetric pairwise relations. To address the second limitation and support evaluation, we introduce a novel and extensive benchmark suite covering synthetic and real-world datasets. Experiments show that our method outperforms existing directed graph generation approaches across diverse settings and competes with specialized models for particular classes, such as directed acyclic graphs. These results highlight the effectiveness and generality of our approach, establishing a solid foundation for future research in directed graph generation.

Autoencoders are widely used for dimensionality reduction, based on the assumption that high-dimensional data lies on low-dimensional manifolds. Regularized autoencoders aim to preserve manifold geometry during dimensionality reduction, but existing approaches often suffer from non-injective mappings and overly rigid constraints that limit their effectiveness and robustness. In this work, we identify encoder non-injectivity as a core bottleneck that leads to poor convergence and distorted latent representations. To ensure robustness across data distributions, we formalize the concept of admissible regularization and provide sufficient conditions for its satisfaction. In this work, we propose the Bi-Lipschitz Autoencoder (BLAE), which introduces two key innovations: (1) an injective regularization scheme based on a separation criterion to eliminate pathological local minima, and (2) a bi-Lipschitz relaxation that preserves geometry and exhibits robustness to data distribution drift. Empirical results on diverse datasets show that BLAE consistently outperforms existing methods in preserving manifold structure while remaining resilient to sampling sparsity and distribution shifts.

Flow-based Generative Models (FGMs) effectively transform noise into complex data distributions. Incorporating Optimal Transport (OT) to couple noise and data during FGM training has been shown to improve the straightness of flow trajectories, enabling more effective inference. However, existing OT-based methods estimate the OT plan using (mini-)batches of sampled noise and data points, which limits their scalability to large and high-dimensional datasets in FGMs. This paper introduces AlignFlow, a novel approach that leverages Semi-Discrete Optimal Transport (SDOT) to enhance the training of FGMs by establishing an explicit, optimal alignment between noise distribution and data points with guaranteed convergence. SDOT computes a transport map by partitioning the noise space into Laguerre cells, each mapped to a corresponding data point. During FGM training, i.i.d. noise samples are paired with data points via the SDOT map. AlignFlow scales well to large datasets and model architectures with negligible computational overhead. Experimental results show that AlignFlow improves the performance of a wide range of state-of-the-art FGM algorithms and can be integrated as a plug-and-play component. Code is available at: https://github.com/konglk1203/AlignFlow.

Consistent text-to-image (T2I) generation seeks to produce identity-preserving images of the same subject across diverse scenes, yet it often fails due to a phenomenon called identity (ID) shift. Previous methods have tackled this issue, but typically rely on the unrealistic assumption of knowing all target scenes in advance. This paper reveals that a key source of ID shift is the native correlation between subject and scene context, called scene contextualization, which arises naturally as T2I models fit the training distribution of vast natural images. We formally prove the near-universality of this scene-subject correlation and derive theoretical bounds on its strength. On this basis, we propose a novel, efficient, training-free prompt embedding editing approach, called Scene De-Contextualization (SDeC), that imposes an inversion process of T2I’s built-in scene contextualization. Specifically, it identifies and suppresses the latent scene-subject correlation within the ID prompt’s embedding by quantifying SVD directional stability to re-weight the corresponding eigenvalues adaptively. Critically, SDeC allows for per-scene use (one prompt per scene) without requiring prior access to all target scenes. This makes it a highly flexible and general solution well-suited to real-world applications where such prior knowledge is often unavailable or varies over time. Experiments demonstrate that SDeC significantly enhances identity preservation while maintaining scene diversity.

Fast and high-quality language generation is the holy grail that people pursue in the age of AI. In this work, we introduce **Di**screte **Di**ffusion Divergence **Instruct** (**DiDi-Instruct**), a training-based method that initializes from a pre-trained diffusion large language model (dLLM) and distills a few-step student for fast generation. The model distilled with DiDi-Instruct matches or surpasses its dLLM teacher and the GPT-2 baseline while providing up to **64$\times$ acceleration**. The theoretical foundation of DiDi-Instruct is a novel framework based on integral KL-divergence minimization, which leads to a practical training algorithm. We further introduce *grouped reward normalization, intermediate-state matching, and the reward-guided ancestral sampler* to improve *training stability, model coverage, and inference quality*. On the OpenWebText benchmark, DiDi-Instruct achieves perplexity ranging from 62.2 (8 NFEs) to 18.4 (128 NFEs), outperforming prior accelerated dLLMs and the GPT-2 baseline. These gains incur a negligible entropy loss (around $1$%) and reduce additional training wall-clock time by **more than $20\times$** compared to competing dLLM distillation methods. We further validate the robustness and effectiveness of DiDi-Instruct through extensive ablation studies, model scaling, downstream task evaluations, and unconditional protein sequence generation. In conclusion, DiDi-Instruct enables efficient and effective distillation for language generation in the blink of an eye.

Tool-Integrated Reasoning (TIR) enables large language models (LLMs) to enhance their internal reasoning ability by integrating external tools. However, models with TIR often exhibit suboptimal behaviors, including insufficient tool calls, excessive tool calls, and overthinking after receiving tool call results. How to empower LLMs to perform TIR efficiently and accurately, while stabilizing the reasoning process, remains an open challenge. In this paper, we first analyze the impact of tool calls on model reasoning from the perspective of information entropy. We find that when tool call results are provided, the information entropy of subsequent reasoning content will show a clear trend of change, and the overall information entropy of the reasoning chain will vary depending on the number of tool calls. Based on these observations, we propose Tool-Light, a framework designed to encourage LLMs to perform TIR efficiently and accurately. Our framework consists of dataset construction and multi-stage fine-tuning. For dataset construction, we use the trained model for continuous self-evolved sampling, integrating two methods: vanilla sampling and entropy-guided sampling. At the same time, during the sampling process, we design strict criteria for selecting positive-negative pairs. For the training process, we introduce a two-stage method, which includes a Supervised Fine-Tuning (SFT), and Self-Evolved Direct Preference Optimization (DPO). Test results on 10 datasets reveal the effectiveness of Tool-Light, significantly improving the efficiency and accuracy of the model in completing TIR tasks.

Classifier-free guidance (CFG) is a widely used technique for improving the perceptual quality of samples from conditional diffusion models. It operates by linearly combining conditional and unconditional score estimates using a *guidance weight* $\omega$. While a large, static weight can markedly improve visual results, this often comes at the cost of poorer distributional alignment. In order to better approximate the target conditional distribution, we instead learn *guidance weights* $\omega_{c,(s,t)}$, which are continuous functions of the conditioning $c$, the time $t$ from which we denoise, and the time $s$ towards which we denoise. We achieve this by minimizing the distributional mismatch between noised samples from the true conditional distribution and samples from the guided diffusion process. We extend our framework to reward guided sampling, enabling the model to target distributions tilted by a reward function $R(x_0,c)$, defined on clean data and a conditioning $c$. We demonstrate the effectiveness of our methodology on low-dimensional toy examples and high-dimensional image settings, where we observe improvements in Fréchet inception distance (FID) for image generation. In text-to-image applications, we observe that employing a reward function given by the CLIP score leads to guidance weights that improve image-prompt alignment.

We study inference-time scaling for diffusion models, where the goal is to adapt a pre-trained model to new target distributions without retraining. Existing guidance-based methods are simple but introduce bias, while particle-based corrections suffer from weight degeneracy and high computational cost. We introduce DriftLite, a lightweight, training-free particle-based approach that steers the inference dynamics on-the-fly with provably optimal stability control. DriftLite exploits a fundamental degree of freedom in the Fokker-Planck equation between the drift and particle potential, and yields two practical instantiations: Variance- and Energy-Controlling Guidance (VCG/ECG) for approximating the optimal drift with modest and scalable overhead. Across Gaussian mixture models, particle systems, and large-scale protein-ligand co-folding problems, DriftLite consistently reduces variance and improves sample quality over pure guidance and sequential Monte Carlo baselines. These results highlight a principled, efficient route toward scalable inference-time adaptation of diffusion models. Our source code is publicly available at https://github.com/yinuoren/DriftLite.

Retrieval-Augmented Generation (RAG) improves the factuality of large language models (LLMs) by grounding outputs in retrieved evidence, but faithfulness failures, where generations contradict or extend beyond the provided sources, remain a critical challenge. Existing hallucination detection methods for RAG often rely either on large-scale detector training, which requires substantial annotated data, or on querying external LLM judges, which leads to high inference costs. Although some approaches attempt to leverage internal representations of LLMs for hallucination detection, their accuracy remains limited. Motivated by recent advances in mechanistic interpretability, we employ sparse autoencoders (SAEs) to disentangle internal activations, successfully identifying features that are specifically triggered during RAG hallucinations. Building on a systematic pipeline of information-based feature selection and additive feature modeling, we introduce RAGLens, a lightweight hallucination detector that accurately flags unfaithful RAG outputs using LLM internal representations. RAGLens not only achieves superior detection performance compared to existing methods, but also provides interpretable rationales for its decisions, enabling effective post-hoc mitigation of unfaithful RAG. Finally, we justify our design choices and reveal new insights into the distribution of hallucination-related signals within LLMs. The code is available at https://github.com/Teddy-XiongGZ/RAGLens.

Scaling generative AI models is bottlenecked by the scarcity of high-quality training data. The ease of synthesizing from a generative model suggests using (unverified) synthetic data to augment a limited corpus of real data for the purpose of fine-tuning in the hope of improving performance. Unfortunately, however, the resulting positive feedback loop leads to model autophagy disorder (MAD, aka model collapse) that results in a rapid degradation in sample quality and/or diversity. In this paper, we introduce Neon (for Negative Extrapolation frOm self-traiNing), a new learning method that turns the degradation from self-training into a powerful signal for self-improvement. Given a base model, Neon first fine-tunes it on its own self-synthesized data but then, counterintuitively, reverses its gradient updates to extrapolate away from the degraded weights. We prove that Neon works because typical inference samplers that favor high-probability regions create a predictable anti-alignment between the synthetic and real data population gradients, which negative extrapolation corrects to better align the model with the true data distribution. Neon is remarkably easy to implement via a simple post-hoc merge that requires no new real data, works effectively with as few as 1k synthetic samples, and typically uses less than 1\% additional training compute. We demonstrate Neon’s universality across a range of architectures (diffusion, flow matching, autoregressive, and inductive moment matching models) and datasets (ImageNet, CIFAR-10, and FFHQ). In particular, on ImageNet 256x256, Neon elevates the xAR-L model to a new state-of-the-art FID of 1.02 with only 0.36\% additional training compute.

Recent advances align diffusion models with human preferences to increase aesthetic appeal and mitigate artifacts and biases. Such methods aim to maximize a conditional output distribution aligned with higher rewards whilst not drifting far from a pretrained prior. This is commonly enforced by KL (Kullback–Leibler) regularization. As such, a central issue still remains: how does one choose the right regularization strength? Too high of a strength leads to limited alignment and too low of a strength leads to "reward hacking". This renders the task of choosing the correct regularization strength highly non-trivial. Existing approaches sweep over this hyperparameter by aligning a pretrained model at multiple regularization strengths and then choose the best strength. Unfortunately, this is prohibitively expensive. We introduce _DeRaDiff_, a _denoising-time realignment_ procedure that, after aligning a pretrained model once, modulates the regularization strength _during sampling_ to emulate models trained at other regularization strengths—_without any additional training or fine-tuning_. Extending decoding-time realignment from language to diffusion models, DeRaDiff operates over iterative predictions of continuous latents by replacing the reverse-step reference distribution by a geometric mixture of an aligned and reference posterior, thus giving rise to a closed-form update under common schedulers and a single tunable parameter, $\lambda$, for on-the-fly control. Our experiments show that across multiple text–image alignment and image-quality metrics, our method consistently provides a strong approximation for models aligned entirely from scratch at different regularization strengths. Thus, by enabling very precise inference-time control of the regularization strength, our method yields an efficient way to search for the optimal strength, eliminating the need for expensive alignment sweeps and thereby substantially reducing computational costs. The official implementation is available at https://github.com/itsShahain/DeRaDiff.

Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in training one-step diffusion models from scratch (\emph{a.k.a.} shortcut models). However, their theoretical derivation and practical implementation are often closely coupled, which obscures the design space. To address this, we propose a common design framework for representative shortcut models. This framework provides theoretical justification for their validity and disentangles concrete component-level choices, thereby enabling systematic identification of improvements. With our proposed improvements, the resulting one-step model achieves a new state-of-the-art FID50k of 2.85 on ImageNet-256×256 under the classifier-free guidance setting with one step generation, and further reaches FID50k of 2.53 with 2× training steps. Remarkably, the model requires no pre-training, distillation, or curriculum learning. We believe our work lowers the barrier to component-level innovation in shortcut models and facilitates principled exploration of their design space.

Large language models (LLMs) excel at generating fluent text, but their internal reasoning remains opaque and difficult to control. Sparse autoencoders (SAEs) make hidden activations more interpretable by exposing latent features that often align with human concepts. Yet, these features are fragile and passive, offering no mechanism for systematic reasoning or model control. To address this, we introduce ActivationReasoning (AR), a framework that embeds explicit logical reasoning into the latent space of LLMs. It proceeds in three stages: (1) Finding latent representations, first latent concept representations are identified (e.g., via SAEs) and organized into a dictionary; (2) Activating propositions, at inference time AR detects activating concepts and maps them to logical propositions; and (3)Logical reasoning, applying logical rules over these propositions to infer higher-order structures, compose new concepts, and steer model behavior. We evaluate AR on multi-hop reasoning (PrOntoQA), abstraction and robustness to indirect concept cues (Rail2Country), reasoning over natural and diverse language (ProverQA), and context-sensitive safety (BeaverTails). Across all tasks, AR scales robustly with reasoning complexity, generalizes to abstract and context-sensitive tasks, and transfers across model backbones. These results demonstrate that grounding logical structure in latent activations not only improves transparency but also enables structured reasoning, reliable control, and alignment with desired behaviors, providing a path toward more reliable and auditable AI.

Transformer LLMs have been shown to exhibit strong reasoning ability that scales with inference-time compute, most prominently through token-space “thinking” (i.e., chains of thought). A growing line of work pushes this extra computation into the model’s latent space (adjacent to standard decoding) which we term Auxiliary Latent-Space Computation (ALSC). Existing ALSC methods largely fall into three buckets: (i) token-mediated latent or special-token rollouts, (ii) residual/activation steering, and (iii) memory compression via cache pruning, merging, or summarization. An underexplored alternative is memory consolidation and reconsolidation, two processes in the brain that are responsible for stabilising newly formed memory traces, and, upon recall, transiently rendering established traces plastic such they can integrate new contextual information before restabilising. In a Transformer LLM, this can be seen as analogous to performing in-place global rewrites of incoming KV segments, and rewrites of past segments conditioned on newly observed tokens. In this work, we give a theoretical justification as to why memory (re)consolidation via KV cache rewrites is beneficial for improved reasoning. We do this through the lens of Information Bottleneck (IB) theory, which posits that model generalisation emerges from an optimal balance between input information compression and retention of predictive information in latent representations. We prove using IB theory that Vanilla decoder-only Transformers are inherently constrained in their ability to form task-optimal sequence representations. We then introduce the Bottlenecked Transformer, which augments a decoder-only backbone LLM with a lightweight Cache Processor, an auxiliary Transformer that performs periodic, non-causal, in-place KV rewrites at newline-delimited reasoning step boundaries. The processor consolidates recently written KV entries and reconsolidates a small, top-$k$ attention-selected set of prior entries, conditioned on recent context. We evaluate our Bottlenecked Transformer architecture on seven mathematical reasoning benchmarks, with four backbone LLMs. Our model sees consistent performance gains over vanilla Transformers and pause-token augmented Transformer baselines, with gains of up to +6.6pp for selected tasks and backbones.

Minimizing the inference cost and latency of foundation models has become a crucial area of research. Optimization approaches include theoretically lossless methods and others without accuracy guarantees like quantization. In all of these cases it is crucial to ensure that the model quality has not degraded. However, even at temperature zero, model generations are not necessarily robust even to theoretically lossless model optimizations due to numerical errors. We thus require statistical tools to decide whether a finite-sample accuracy deviation is an evidence of a model's degradation or whether it can be attributed to (harmless) noise in the evaluation. We propose a statistically sound hypothesis testing framework based on McNemar's test allowing to efficiently detect model degradations, while guaranteeing a controlled rate of false positives. The crucial insight is that we have to confront the model scores on each sample, rather than aggregated on the task level. Furthermore, we propose three approaches to aggregate accuracy estimates across multiple benchmarks into a single decision. We provide an implementation on top of the largely adopted open source LM Evaluation Harness and provide a case study illustrating that the method correctly flags degraded models, while not flagging model optimizations that are provably lossless. We find that with our tests even empirical accuracy degradations of 0.3% can be confidently attributed to actual degradations rather than noise. Code: https://github.com/amazon-science/LLM-Accuracy-Stats

In this work, we propose aligning pretrained visual encoders to serve as tokenizers for latent diffusion models in image generation. Unlike training a variational autoencoder (VAE) from scratch, which primarily emphasizes low-level details, our approach leverages the rich semantic structure of foundation encoders. We introduce a three-stage alignment strategy called AlignTok: (1) freeze the encoder and train an adapter and a decoder to establish a semantic latent space; (2) jointly optimize all components with an additional semantic preservation loss, enabling the encoder to capture perceptual details while retaining high-level semantics; and (3) refine the decoder for improved reconstruction quality. This alignment yields semantically rich image tokenizers that benefit diffusion models. On ImageNet 256$\times$256, our tokenizer accelerates the convergence of diffusion models, reaching a gFID of 1.90 within just 64 epochs, and improves generation both with and without classifier-free guidance. Scaling to LAION, text-to-image models trained with our tokenizer consistently outperforms FLUX VAE and VA-VAE under the same training steps. Overall, our method is simple, scalable, and establishes a semantically grounded paradigm for continuous tokenizer design.

MeanFlow has recently emerged as a powerful framework for few-step generative modeling trained from scratch, but its success is not yet fully understood. In this work, we show that the MeanFlow objective naturally decomposes into two parts: trajectory flow matching and trajectory consistency. Through gradient analysis, we find that these terms are strongly negatively correlated, causing optimization conflict and slow convergence. Motivated by these insights, we introduce $\alpha$-Flow, a broad family of objectives that unifies trajectory flow matching, Shortcut Model, and MeanFlow under one formulation. By adopting a curriculum strategy that smoothly anneals from trajectory flow matching to MeanFlow, $\alpha$-Flow disentangles the conflicting objectives, and achieves better convergence. When trained from scratch on class-conditional ImageNet-1K 256×256 with vanilla DiT backbones, $\alpha$-Flow consistently outperforms MeanFlow across scales and settings. Our largest $\alpha$-Flow-XL/2+ model achieves new state-of-the-art results using vanilla DiT backbones, with FID scores of 2.58 (1-NFE) and 2.15 (2-NFE). The source code and pre-trained checkpoints are available on \url{https://github.com/snap-research/alphaflow}.

Diffusion models (DMs) have recently shown remarkable performance on inverse problems (IPs). Optimization-based methods can fast solve IPs using DMs as powerful regularizers, but they are susceptible to local minima and noise overfitting. Although DMs can provide strong priors for Bayesian approaches, enforcing measurement consistency during the denoising process leads to manifold infeasibility issues. We propose Noise-space Hamiltonian Monte Carlo (N-HMC), a posterior sampling method that treats reverse diffusion as a deterministic mapping from initial noise to clean images. N-HMC enables comprehensive exploration of the solution space, avoiding local optima. By moving inference entirely into the initial-noise space, N-HMC keeps proposals on the learned data manifold. We provide a comprehensive theoretical analysis of our approach and extend the framework to a noise-adaptive variant (NA-NHMC) that effectively handles IPs with unknown noise type and level. Extensive experiments across four linear and three nonlinear inverse problems demonstrate that NA-NHMC achieves superior reconstruction quality with robust performance across different hyperparameters and initializations, significantly outperforming recent state-of-the-art methods. The code is available at https://github.com/NA-HMC/NA-HMC.

Large Language Models (LLMs) have seen remarkable advancements, achieving state-of-the-art results in diverse applications. Fine-tuning, an important step for adapting LLMs to specific downstream tasks, typically involves further training on corresponding datasets. However, a fundamental discrepancy exists between current fine-tuning datasets and the token-level optimization mechanism of LLMs: most datasets are designed at the sentence-level, which introduces token-level noise, causing negative influence to final performance. In this paper, we propose XTF, an explainable token-level noise filtering framework. XTF decomposes the complex and subtle contributions of token-level data to the fine-tuning process into three distinct and explicit attributes (reasoning importance, knowledge novelty, and task relevance), which can be assessed using scoring methods, and then masks the gradients of selected noisy tokens accordingly to optimize the performance of fine-tuned LLMs. We conduct extensive experiments on three representative downstream tasks (math, code and medicine) across 7 mainstream LLMs. The results demonstrate that XTF can significantly improve downstream performance by up to 13.7% compared to regular fine-tuning. Our work highlights the importance of token-level dataset optimization, and demonstrates the potential of strategies based on attribute decomposition for explaining complex training mechanisms.

With the rapid progress of large language models (LLMs) trained on every available piece of data, it becomes increasingly challenging to reliably evaluate their intelligence due to potential data contamination and benchmark overfitting. To overcome these challenges, we investigate a new angle of benchmarking LLMs' intelligence by evaluating their capability in forecasting real-world future events, a paradigm we call "LLM-as-a-Prophet". Such forecasting tasks require combination of sophisticated capabilities while remaining free from data contamination or overfitting. To systematically evaluate such predictive intelligence of LLMs, we introduce $\texttt{Prophet Arena}$, a general evaluation benchmark that continuously collects live forecasting tasks and decomposes each task into distinct pipeline stages, supporting our controlled and large-scale experimentation. Our comprehensive evaluation reveals that many LLMs already exhibit impressive forecasting capabilities, reflected in, e.g., their small calibration errors, consistent prediction confidence and promising market returns. However, we also uncover key bottlenecks even in frontier models, such as inaccurate event recalls, misunderstanding of data sources and slower information aggregation compared to markets when resolution nears.

While Masked Diffusion Language Models (MDLMs) relying on token masking and unmasking have shown promise in language modeling, their computational efficiency and generation flexibility remain constrained by the masking paradigm. In this paper, we propose Deletion-Insertion Diffusion language models (DID) that rigorously formulate token deletion and insertion as discrete diffusion processes, replacing the masking and unmasking processes in current MDLMs. DID improves training and inference efficiency by eliminating two major sources of computational overhead in MDLMs: the computations on non-informative 1) $\texttt{\}$ tokens inherent to its paradigm, and 2) $\texttt{\}$ tokens introduced in variable-length settings. Furthermore, DID offers greater flexibility by: 1) natively supporting variable-length sequences without requiring fixed-length padding, and 2) an intrinsic self-correction mechanism during generation due to insertion that dynamically adjusts token positions. To train DID, we design a score-based approach that assigns scores to token insertion operations and derive appropriate training objectives. The objectives involve subsequence counting problems, which we efficiently solve via a parallelized dynamic programming algorithm. Our experiments across fixed and variable-length settings demonstrate the advantage of DID over baselines of MDLMs and existing insertion-based LMs, in terms of modeling performance, sampling quality, and training/inference speed, without any hyperparameter tuning.

Model merging in weight space is an efficient way to reuse pretrained models, but existing methods typically assume matching architectures or sizes, making heterogeneous merges brittle or infeasible. We address this limitation by encoding model weights into a smooth latent space, enabling cross-architecture operations, and performing the merge in the latent space before decoding back to weights. This approach faces two major challenges. First, LLMs contain billions of parameters, which makes latent encoding computationally demanding. Second, using high compression ratios often hinders the encoder’s ability to generalize to unseen weights. We tackle these issues with a transformer-based variational autoencoder (VAE) trained in a two-stage compression curriculum with structured layer-aware chunking: the model first learns a high-capacity latent representation and then distills to a compact code, improving both stability and out-of-distribution generalization. To align heterogeneous models, we introduce a dimensionality-matching projection that allows interpolation between models of different sizes. Empirically, latent-space interpolation is consistently more robust than direct weight-space averaging and yields stronger downstream performance when merging models of different sizes. Together, these components provide a scalable, architecture-agnostic recipe for model merging.

Diffusion Transformers offer state-of-the-art fidelity in image and video synthesis, but their iterative sampling process remains a major bottleneck due to the high cost of transformer forward passes at each timestep. To mitigate this, feature caching has emerged as a training-free acceleration technique that reuses hidden representations. However, existing methods often apply a uniform caching strategy across all feature dimensions, ignoring their heterogeneous dynamic behaviors. Therefore, we adopt a new perspective by modeling hidden feature evolution as a mixture of ODEs across dimensions, and introduce \textbf{HyCa}, a Hybrid ODE solver inspired caching framework that applies dimension-wise caching strategies. HyCa achieves near-lossless acceleration across diverse tasks and models, including 5.55$\times$ speedup on FLUX, 5.56$\times$ speedup on HunyuanVideo, 6.24$\times$ speedup on Qwen-Image and Qwen-Image-Edit without retraining.

Human–object–scene interactions (HOSI) generation has broad applications in embodied AI, simulation, and animation. Unlike human–object interaction (HOI) and human–scene interaction (HSI), HOSI generation requires reasoning over dynamic object–scene changes, yet suffers from limited annotated data. To address these issues, we propose a coarse‑to‑fine instruction‑conditioned interaction generation framework that is explicitly aligned with the iterative denoising process of a consistency model. In particular, we adopt a dynamic perception strategy that leverages trajectories from the preceding refinement to update scene context and condition subsequent refinement at each denoising step of consistency model, yielding consistent interactions. To further reduce physical artifacts, we introduce a bump‑aware guidance that mitigates collisions and penetrations during sampling without requiring fine‑grained scene geometry, enabling real‑time generation. To overcome data scarcity, we design a hybrid training startegy that synthesizes pseudo‑HOSI samples by injecting voxelized scene occupancy into HOI datasets and jointly trains with high‑fidelity HSI data, allowing interaction learning while preserving realistic scene awareness. Extensive experiments demonstrate that our method achieves state‑of‑the‑art performance in both HOSI and HOI generation, and strong generalization to unseen scenes. Project page: yudezou.github.io/InfBaGel-page.

Out-of-distribution (OOD) detection is essential for reliable deployment of machine learning systems in vision, robotics, and reinforcement learning. We introduce Score–Curvature Out-of-distribution Proximity Evaluator for Diffusion (SCOPED), a fast and general-purpose OOD detection method for diffusion models that reduces the number of forward passes on the trained model by an order of magnitude compared to prior methods, outperforming most diffusion-based baselines and approaching the accuracy of the strongest ones. SCOPED is computed from a single diffusion model trained once on a diverse dataset and combines the Jacobian trace and squared norm of the model’s score function into a single test statistic. Rather than thresholding on a fixed value, we estimate the in-distribution density of SCOPED scores using kernel density estimation, enabling a flexible, unsupervised test that, in the simplest case, only requires a single forward pass and one Jacobian–vector product (JVP), made efficient by Hutchinson’s trace estimator. On four vision benchmarks, SCOPED achieves competitive or state-of-the-art precision-recall scores despite its low computational cost. The same method generalizes to robotic control tasks with shared state and action spaces, identifying distribution shifts across reward functions and training regimes. These results position SCOPED as a practical foundation for fast and reliable OOD detection in real-world domains, including perceptual artifacts in vision, outlier detection in autoregressive models, exploration in reinforcement learning, and dataset curation for unsupervised training.

Diffusion transformers (DiT) have already achieved appealing synthesis and scaling properties in content recreation, \emph{e.g.,} image and video generation. However, scaling laws of DiT are less explored, which usually offer precise predictions regarding optimal model size and data requirements given a specific compute budget. Therefore, experiments across a broad range of compute budgets, from 1e17 to 6e18 FLOPs are conducted to confirm the existence of scaling laws in DiT \emph{for the first time}. Concretely, the loss of pretraining DiT also follows a power-law relationship with the involved compute. Based on the scaling law, we can not only determine the optimal model size and required data but also accurately predict the text-to-image generation loss given a model with 1B parameters and a compute budget of 1.5e21 FLOPs. Additionally, we also demonstrate that the trend of pretraining loss matches the generation performances (e.g., FID), even across various datasets, which complements the mapping from compute to synthesis quality and thus provides a predictable benchmark that assesses model performance and data quality at a reduced cost.

Reinforcement Learning (RL) has proven highly effective for autoregressive language models, but adapting these methods to diffusion large language models (dLLMs) presents fundamental challenges. The core difficulty lies in likelihood approximation: while autoregressive models naturally provide token-level conditional probabilities essential for token-level RL objectives (e.g., GRPO), dLLMs generate sequences through iterative non-autoregressive denoising steps that lack this factorization. To address this fundamental mismatch, we propose ELBO-based Sequence-level Policy Optimization (ESPO), a principled RL framework that treats entire sequence generation as a single action and uses the ELBO as a tractable sequence-level likelihood proxy. Our method incorporates per-token normalization of importance ratios and robust KL-divergence estimation to ensure stable large-scale training. Extensive experiments on mathematical reasoning, coding, and planning tasks demonstrate that ESPO significantly outperforms token-level baselines, achieving dramatic improvements of 20-40 points on the Countdown task, while maintaining consistent gains on math and coding benchmarks. Our approach establishes sequence-level optimization as a principled and empirically effective paradigm for RL in dLLMs.

While diffusion models achieve state-of-the-art generation quality, they still suffer from computationally expensive sampling. Recent works address this issue with gradient-based optimization methods that distill a few-step ODE diffusion solver from the full sampling process, reducing the number of function evaluations from dozens to just a few. However, these approaches often rely on intricate training techniques and do not explicitly focus on preserving fine-grained details. In this paper, we introduce the Generalized Solver: a simple parameterization of the ODE sampler that does not require additional training tricks and improves quality over existing approaches. We further combine the original distillation loss with adversarial training, which mitigates artifacts and enhances detail fidelity. We call the resulting method the Generalized Adversarial Solver and demonstrate its superior performance compared to existing solver training methods under similar resource constraints.

Vector-quantized based models have recently demonstrated strong potential for visual prior modeling. However, existing VQ-based methods simply encode visual features with nearest codebook items and train index predictor with code-level supervision. Due to the richness of visual signal, VQ encoding often leads to large quantization error. Furthermore, training predictor with code-level supervision can not take the final reconstruction errors into consideration, result in sub-optimal prior modeling accuracy. In this paper we address the above two issues and propose a Texture Vector-Quantization and a Reconstruction Aware Prediction strategy. The texture vector-quantization strategy leverages the task character of super-resolution and only introduce codebook to model the prior of missing textures. While the reconstruction aware prediction strategy makes use of the straight-through estimator to directly train index predictor with image-level supervision. Our proposed generative SR model TVQ&RAP is able to deliver photo-realistic SR results with small computational cost.

Data quantity and quality play a vital role in determining the performance of Large Language Models (LLMs). High-quality data, in particular, can significantly boost the LLM's ability to generalize on a wide range of downstream tasks. In this paper, we introduce GneissWeb, a large dataset of around 10 trillion tokens that caters to the data quality and quantity requirements of training LLMs. Our GneissWeb recipe that produced the dataset consists of sharded exact sub-string deduplication and a judiciously constructed ensemble of quality filters. GneissWeb goes beyond simple model-based quality filtering used in recent datasets by designing an ensemble of filters incorporating novel quality filters. Novel components enable us to achieve a favorable trade-off between data quality and quantity, producing models that outperform models trained on state-of-the-art open large datasets (5+ trillion tokens). We show that models trained using GneissWeb outperform those trained on FineWeb-V1.1.0 by 2.73 percentage points in terms of average scores on a set of 11 commonly used benchmarks (both zero-shot and few-shot) for pre-training dataset evaluation. When the evaluation set is extended to 20 benchmarks (both zero-shot and few-shot), models trained using GneissWeb still achieve a 1.75 percentage points gain over those trained on FineWeb-V1.1.0.

Large language models (LLMs) are increasingly leveraged for text-rich graph machine learning tasks, with node classification standing out due to its high-impact application domains such as fraud detection and recommendation systems. Yet, despite a surge of interest, the field lacks a principled understanding of the capabilities of LLMs in processing graph data. In this work, we conduct a large-scale, controlled evaluation across the key axes of variability: the LLM-graph interaction mode, comparing prompting, tool-use, and code generation; dataset domains, spanning citation, web-link, e-commerce, and social networks; homophilic vs. heterophilic regimes; short- vs. long-text features; LLM sizes and reasoning capabilities. We further analyze dependencies by independently truncating features, deleting edges, and removing labels to quantify reliance on input types. Our findings provide actionable guidance for both research and practice. (1) Code generation mode achieves the strongest overall performance, with especially large gains on long-text or high-degree graphs where prompting quickly exceeds the token budget. (2) All interaction strategies remain effective on heterophilic graphs, challenging the assumption that LLM-based methods collapse under low homophily. (3) Code generation mode is able to flexibly shift its reliance to the most informative input type, whether that be structure, features, or labels. Together, these results establish a clear picture of the strengths and limitations of current LLM–graph interaction modes and point to design principles for future methods.

Autoregressive models (ARMs) are hindered by slow sequential inference. While masked diffusion models (MDMs) offer a parallel alternative, they suffer from critical drawbacks: high computational overhead from precluding Key-Value (KV) caching, and incoherent generation arising from learning dependencies over an intractable space of token combinations. To address these limitations, we introduce ReFusion, a novel masked diffusion model that integrates sequence reorganization into the causal attention framework. By elevating parallel decoding from the token level to a higher slot level, ReFusion interleaves inter-slot diffusion-based selection with intra-slot autoregressive infilling, while reordering newly generated slots ahead of the remaining masks after each iteration. Consequently, this design simultaneously unlocks full KV cache reuse and reduces learning complexity from an intractable token combination space to a manageable slot-level permutation space. Extensive experiments on seven diverse benchmarks show that ReFusion not only overwhelmingly surpasses prior MDMs with a 34\% performance gain and an over 18$\times$ speedup on average, but also bridges the performance gap to strong ARMs while maintaining a 2.33$\times$ average speedup.

We aim to improve the reasoning capabilities of language models via reinforcement learning with verifiable rewards (RLVR). Recent RLVR post-trained models like DeepSeek-R1 have demonstrated reasoning abilities on mathematical and coding tasks. However, prior studies suggest that using RLVR alone to improve reasoning on inherently difficult tasks is less effective due to sparse rewards. Here, we draw inspiration from curriculum learning and propose to schedule tasks from easy to hard (E2H), allowing LLMs to build reasoning skills gradually. Our method is termed E2H Reasoner. Empirically, we observe that, although easy tasks are important initially, fading them out through appropriate scheduling is essential in preventing overfitting. Theoretically, we establish convergence guarantees for E2H Reasoner within an approximate policy iteration framework. We derive finite-sample complexity bounds and show that when tasks are appropriately decomposed and conditioned, learning through curriculum stages requires fewer total samples than direct learning. Experiments across diverse datasets and models demonstrate that E2H Reasoner substantially enhances LLM reasoning. Code is available at - https://github.com/divelab/E2H-Reasoning

The success of deep generative models in scientific discovery requires not only the ability to generate novel candidates but also reliable guarantees that these candidates indeed satisfy desired properties. Recent conformal-prediction methods offer a path to such guarantees, but its application to generative modeling in drug discovery is limited by budget constraints, lack of oracle access, and distribution shift. To this end, we introduce ConfHit, a distribution-free framework that provides validity guarantees under these conditions. ConfHit formalizes two central questions: (i) Certification: whether a generated batch can be guaranteed to contain at least one hit with a user-specified confidence level, and (ii) Design: whether the generation can be refined to a compact set without weakening this guarantee. ConfHit leverages weighted exchangeability between historical and generated samples to eliminate the need for an experimental oracle, constructs multiple-sample density-ratio weighted conformal p-value to quantify statistical confidence in hits, and proposes a nested testing procedure to certify and refine candidate sets of multiple generated samples while maintaining statistical guarantees. Across representative generative molecule design tasks and a broad range of methods, ConfHit consistently delivers valid coverage guarantees at multiple confidence levels while maintaining compact certified sets, establishing a principled and reliable framework for generative modeling.

Large language models (LLMs) aligned for safety often suffer from over-refusal—the tendency to reject seemingly toxic or benign prompts by misclassifying them as toxic. This behavior undermines models' helpfulness and restricts usability in sensitive or nuanced contexts. While prior work has proposed mitigation strategies such as data augmentation and activation steering, these approaches often face a trade-off: reducing over-refusal typically degrades the model’s ability to reject genuinely harmful content. We argue that this issue arises from the ambiguous influence of toxic and seemingly toxic prompts on the model’s learning dynamics. To address it, we introduce a preceding alignment stage, DCR: $\textbf{D}$iscernment via $\textbf{C}$ontrastive $\textbf{R}$efinement. Both theoretically and empirically, we demonstrate that contrastive refinement improves an LLM’s capacity to distinguish truly toxic prompts from superficially toxic ones. Evaluation across diverse benchmarks shows that our method effectively reduces over-refusal while preserving the safety benefits of alignment. Importantly, it achieves this with minimal degradation of general capabilities, offering a more principled and robust direction for safety alignment.

Autoregressive image generation aims to predict the next token based on previous ones. However, this process is challenged by the bidirectional dependencies inherent in conventional image tokenizations, which creates a fundamental misalignment with the unidirectional nature of autoregressive models. To resolve this, we introduce AliTok, a novel Aligned Tokenizer that alters the dependency structure of the token sequence. AliTok employs a bidirectional encoder constrained by a causal decoder, a design that compels the encoder to produce a token sequence with both semantic richness and forward-dependency. Furthermore, by incorporating prefix tokens and employing a two-stage tokenizer training process to enhance reconstruction performance, AliTok achieves high fidelity and predictability simultaneously. Building upon AliTok, a standard decoder-only autoregressive model with just 177M parameters achieves a gFID of 1.44 and an IS of 319.5 on ImageNet-256. Scaling to 662M, our model reaches a gFID of 1.28, surpassing the SOTA diffusion method with 10x faster sampling. On ImageNet-512, our 318M model also achieves a SOTA gFID of 1.39. Code and weights at https://github.com/ali-vilab/alitok.

Temporal point processes (TPPs) are a fundamental tool for modeling event sequences in continuous time, but most existing approaches rely on autoregressive parameterizations that are limited by their sequential sampling. Recent non-autoregressive, diffusion-style models mitigate these issues by jointly interpolating between noise and data through event insertions and deletions in a discrete Markov chain. In this work, we generalize this perspective and introduce an Edit Flow process for TPPs that transports noise to data via insert, delete, and substitute edit operations. By learning the instantaneous edit rates within a continuous-time Markov chain framework, we attain a flexible and efficient model that effectively reduces the total number of necessary edit operations during generation. Empirical results demonstrate the generative flexibility of our unconditionally trained model in a wide range of unconditional and conditional generation tasks on benchmark TPPs.

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications. Towards this, we examine the effect of shaping the distribution at intermediate noise levels induced by diffusion models. First, we show that existing variants of Rejection sAmpling based Fine-Tuning (RAFT), which we unify as GRAFT, can implicitly perform KL regularized reward maximization with reshaped rewards. Motivated by this observation, we introduce P-GRAFT to shape distributions at intermediate noise levels and demonstrate empirically that this can lead to more effective fine-tuning. We mathematically explain this via a bias-variance tradeoff. Next, we look at correcting learning errors in pre-trained flow models based on the developed mathematical framework. In particular, we propose inverse noise correction, a novel algorithm to improve the quality of pre-trained flow models without explicit rewards. We empirically evaluate our methods on text-to-image(T2I) generation, layout generation, molecule generation and unconditional image generation. Notably, our framework, applied to Stable Diffusion v2, improves over policy gradient methods on popular T2I benchmarks in terms of VQAScore and shows an 8.81% relative improvement over the base model. For unconditional image generation, inverse noise correction improves FID of generated images at lower FLOPs/image.

The differing representation spaces required for visual understanding and generation pose a challenge in unifying them within the autoregressive paradigm of large language models. A vision tokenizer trained for reconstruction excels at capturing low-level visual appearance, making it well-suited for visual generation but lacking high-level semantic representations for understanding tasks. Conversely, a vision encoder trained via contrastive learning aligns well with language but struggles to decode back into the pixel space for generation tasks. To bridge this gap, we propose DualToken, a method that unifies representations for both understanding and generation within a single tokenizer. However, directly integrating reconstruction and semantic objectives creates conflicts, leading to degraded performance in both reconstruction fidelity and semantic accuracy. Instead of forcing a single codebook to capture both visual appearance and semantics, DualToken disentangles them by introducing separate codebooks for high-level semantics and low-level visual details. As a result, DualToken achieves 0.25 rFID and 82.0% zero-shot accuracy on ImageNet, and demonstrates strong effectiveness in downstream MLLM tasks for both understanding and generation. Specifically, our method surpasses VILA-U by 5.8 points on average across ten visual understanding benchmarks and delivers a 13% improvement on GenAI-Bench. Notably, incorporating dual visual tokens outperforms using a single token type on both understanding and generation tasks. We hope our research offers a new perspective on leveraging dual visual vocabularies for building unified vision–language models. Project page is available here.

The importance of mobile phone GPS trajectory data is widely recognized across many fields, yet the use of real data is often hindered by privacy concerns, limited accessibility, and high acquisition costs. As a result, generating pseudo–GPS trajectory data has become an active area of research. Recent diffusion-based approaches have achieved strong fidelity but remain limited in spatial scale (small urban areas), transportation-mode diversity, and efficiency (requiring numerous sampling steps). To address these challenges, we introduce TrajFlow, which to the best of our knowledge is the first flow-matching-based generative model for GPS trajectory generation. TrajFlow leverages the flow-matching paradigm to improve robustness and efficiency across multiple geospatial scales, and incorporates a trajectory harmonization &amp; reconstruction strategy to jointly address scalability, diversity, and efficiency. Using a nationwide mobile phone GPS dataset with millions of trajectories across Japan, we show that TrajFlow or its variants consistently outperform diffusion-based and deep generative baselines at urban, metropolitan, and nationwide levels. As the first nationwide, multi-scale GPS trajectory generation model, TrajFlow demonstrates strong potential to support inter-region urban planning, traffic management, and disaster response, thereby advancing the resilience and intelligence of future mobility systems.

Large language models (LLMs) often exhibit flawed reasoning ability that undermines reliability. Existing approaches to improving reasoning typically treat it as a general and monolithic skill, applying broad training that is inefficient and unable to target specific reasoning errors. We introduce Reasoning Editing, a paradigm for selectively modifying specific reasoning patterns in LLMs while preserving other reasoning pathways. This task presents a fundamental trade-off between Generality, the ability of an edit to generalize across different tasks sharing the same reasoning pattern, and Locality, the ability to preserve other reasoning capabilities. Through systematic investigation, we uncover the Circuit-Interference Law: edit interference between reasoning patterns is proportional to the overlap of their neural circuits. Guided by this principle, we propose REdit, the first framework to actively reshape neural circuits before editing, thereby modulating interference between reasoning patterns and mitigating the trade-off. REdit integrates three components: (i) Contrastive Circuit Reshaping, which directly addresses the generality-locality trade-off by disentangling overlapping circuits; (ii) Meta-Contrastive Learning, which extends transferability to novel reasoning patterns; and (iii) Dual-Level Protection, which preserves preexisting abilities by constraining reshaping update directions and regularizing task-level predictions. Extensive experiments with Qwen-2.5-3B on propositional logic reasoning tasks across three difficulty levels demonstrate that REdit consistently achieves superior generality and locality compared to baselines, with additional validation in mathematics showing broader potential. Our code is available at https://github.com/LzyFischer/REdit.

When language models (LMs) are trained via reinforcement learning (RL) to generate natural language “reasoning chains”, their performance improves on a variety of difficult question answering tasks. Today, almost all successful applications of RL for reasoning use binary reward functions that evaluate the correctness of LM outputs. Because such reward functions do not penalize guessing or low-confidence outputs, they often have the unintended side-effect of degrading calibration and increasing the rate at which LMs generate incorrect responses (or “hallucinate”) in other problem domains. This paper describes RLCR (Reinforcement Learning with Calibration Rewards), an approach to training reasoning models that jointly improves accuracy and calibrated confidence estimation. During RLCR, LMs generate both predictions and numerical confidence estimates after reasoning. They are trained to optimize a reward function that augments a binary correctness score with a Brier score—a scoring rule for confidence estimates that incentivizes calibrated prediction. We first prove that this reward function (or any analogous reward function that uses a bounded, proper scoring rule) yields models whose predictions are both accurate and well-calibrated. We next show that across diverse datasets, RLCR substantially improves calibration with no loss in accuracy, on both in-domain and out-of-domain evaluations—outperforming both ordinary RL training and classifiers trained to assign post-hoc confidence scores. While ordinary RL hurts calibration, RLCR improves it. Finally, we demonstrate that verbalized confidence can be leveraged at test time to improve accuracy and calibration via confidence-weighted scaling methods. Our results show that explicitly optimizing for calibration can produce more generally reliable reasoning models.

While achieving exceptional generative quality, modern diffusion, flow, and other matching models suffer from slow inference, as they require many steps of iterative generation. Recent distillation methods address this by training efficient one-step generators under the guidance of a pre-trained teacher model. However, these methods are often constrained to only one specific framework, e.g., only to diffusion or only to flow models. Furthermore, these methods are naturally data-free, and to benefit from the usage of real data, it is required to use an additional complex adversarial training with an extra discriminator model. In this paper, we present RealUID, a universal distillation framework for all matching models that seamlessly incorporates real data into the distillation procedure without GANs. Our RealUID approach offers a simple theoretical foundation that covers previous distillation methods for Flow Matching and Diffusion models, and is also extended to their modifications, such as Bridge Matching and Stochastic Interpolants. The code can be found in https://github.com/David-cripto/RealUID.

Generative models often treat continuous data and discrete events as separate processes, creating a gap in modeling complex systems where they interact synchronously. To bridge this gap, we introduce $\textbf{JointDiff}$, a novel diffusion framework designed to unify these two processes by simultaneously generating continuous spatio-temporal data and synchronous discrete events. We demonstrate its efficacy in the sports domain by simultaneously modeling multi-agent trajectories and key possession events. This joint modeling is validated with non-controllable generation and two novel controllable generation scenarios: $\textit{weak-possessor-guidance}$, which offers flexible semantic control over game dynamics through a simple list of intended ball possessors, and $\textit{text-guidance}$, which enables fine-grained, language-driven generation. To enable the conditioning with these guidance signals, we introduce $\textbf{CrossGuid}$, an effective conditioning operation for multi-agent domains. We also share a new unified sports benchmark enhanced with textual descriptions for soccer and football datasets. JointDiff achieves state-of-the-art performance, demonstrating that joint modeling is crucial for building realistic and controllable generative models for interactive systems. [Project](https://guillem-cf.github.io/JointDiff/)

Flow models parameterized as time-dependent velocity fields can generate data from noise by integrating an ODE. These models are often trained using flow matching, i.e. by sampling random pairs of noise and target points $(x_0,x_1)$ and ensuring that the velocity field is aligned, on average, with $x_1-x_0$ when evaluated along a time-indexed segment linking $x_0$ to $x_1$. While these noise/data pairs are sampled independently by default, they can also be selected more carefully by matching batches of $n$ noise to $n$ target points using an optimal transport (OT) solver. Although promising in theory, the OT flow matching (OT-FM) approach (Pooladian et al., 2023, Tong et al., 2024) is not widely used in practice. Zhang et al. (2025), pointed out recently that OT-FM truly starts paying off when the batch size $n$ grows significantly, which only a multi-GPU implementation of the Sinkhorn algorithm can handle. Unfortunately, the pre-compute costs of running Sinkhorn can quickly balloon, requiring $O(n^2/\varepsilon^2)$ operations for every $n$ pairs used to fit the velocity field, where $\varepsilon$ is a regularization parameter that should be typically small to yield better results. To fulfill the theoretical promises of OT-FM, we propose to move away from batch-OT and rely instead on a semidiscrete formulation that can leverage the fact that the target dataset distribution is usually of finite size $N$. The SD-OT problem is solved by estimating a dual potential vector of size $N$ using SGD; using that vector, freshly sampled noise vectors at train time can then be matched with data points at the cost of a maximum inner product search (MIPS) over the dataset. Semidiscrete FM (SD-FM) removes the quadratic dependency on $n/\varepsilon$ that bottlenecks OT-FM. SD-FM beats both FM and OT-FM on all training metrics and inference budget constraints, across multiple datasets, on unconditional/conditional generation, or when using mean-flow models.

Discrete diffusion models are a powerful class of generative models that demonstrate strong performance across many domains. However, for efficiency, discrete diffusion typically parameterizes the generative (reverse) process with factorized distributions, which makes it difficult for the model to learn a target process in a small number of steps and necessitates a long, computationally expensive sampling procedure. To reduce the gap between the target and model distributions and enable few-step generation, we introduce a learnable noising (forward) process for discrete diffusion. Instead of fixing a Markovian forward chain, we adopt a non-Markovian formulation and introduce learnable marginal and posterior distributions. This allows the generative process to remain factorized while matching the target defined by the noising process. We train all parameters end-to-end under the standard variational objective.

Score-based methods, such as diffusion models and Bayesian inverse problems, are often interpreted as learning the data distribution in the low-noise limit ($\sigma \to 0$). In this work, we propose an alternative perspective: their success arises from implicitly learning the data manifold rather than the full distribution. Our claim is based on a novel analysis of scores in the small-$\sigma$ regime that reveals a sharp separation of scales: information about the data manifold is $\Theta(\sigma^{-2})$ stronger than information about the distribution. We argue that this insight suggests a paradigm shift from the less practical goal of distributional learning to the more attainable task of geometric learning, which provably tolerates $O(\sigma^{-2})$ larger errors in score approximation. We illustrate this perspective through three consequences: i) in diffusion models, concentration on data support can be achieved with a score error of $o(\sigma^{-2})$, whereas recovering the specific data distribution requires a much stricter $o(1)$ error; ii) more surprisingly, learning the uniform distribution on the manifold—an especially structured and useful object—is also $O(\sigma^{-2})$ easier; and iii) in Bayesian inverse problems, the maximum entropy prior is $O(\sigma^{-2})$ more robust to score errors than generic priors. Finally, we validate our theoretical findings with preliminary experiments on large-scale models, including Stable Diffusion.

3D part amodal segmentation--decomposing a 3D shape into complete, semantically meaningful parts, even when occluded--is a challenging but crucial task for 3D content creation and understanding. Existing 3D part segmentation methods only identify visible surface patches, limiting their utility. Inspired by 2D amodal segmentation, we introduce this novel task to the 3D domain and propose a practical, two-stage approach, addressing the key challenges of inferring occluded 3D geometry, maintaining global shape consistency, and handling diverse shapes with limited training data. First, we leverage existing 3D part segmentation to obtain initial, incomplete part segments. Second, we introduce HoloPart, a novel diffusion-based model, to complete these segments into full 3D parts. HoloPart utilizes a specialized architecture with local attention to capture fine-grained part geometry and global shape context attention to ensure overall shape consistency. We introduce new benchmarks based on the ABO and PartObjaverse-Tiny datasets and demonstrate that HoloPart significantly outperforms state-of-the-art shape completion methods. By incorporating HoloPart with existing segmentation techniques, we achieve promising results on 3D part amodal segmentation, opening new avenues for applications in geometry editing, animation, and material assignment.

Modifications to test-time sampling have emerged as an important extension to diffusion algorithms, with the goal of biasing the generative process to achieve a given objective without having to retrain the entire diffusion model. However, generating jointly correlated samples from multiple pre-trained diffusion models while simultaneously enforcing task-specific constraints without costly retraining has remained challenging. To this end, we propose Projected Coupled Diffusion (PCD), a novel test-time framework for constrained joint generation. PCD introduces a coupled guidance term into the generative dynamics to encourage coordination between diffusion models and incorporates a projection step at each diffusion step to enforce hard constraints. Empirically, we demonstrate the effectiveness of PCD in application scenarios of image-pair generation, object manipulation, and multi-robot motion planning. Our results show improved coupling effects and guaranteed constraint satisfaction without incurring excessive computational costs.

Diffusion-based large language models (dLLMs) are gaining attention for their inherent capacity for parallel decoding, offering a compelling alternative to autoregressive LLMs. Among various decoding strategies, block-wise semi-autoregressive (semi-AR) approaches are widely adopted due to their support for KV caching and their favorable accuracy–speed trade-off. However, this paper identifies two fundamental limitations in the conventional semi-AR decoding approach that applies a fixed block size: i) late decoding overhead, where the unmasking of high-confidence tokens outside the current block is unnecessarily delayed, and ii) premature decoding error, where low-confidence tokens inside the current block are committed too early, leading to incorrect tokens. This paper presents the first systematic investigation challenging the fixed block size setting in semi-AR decoding. Through a statistical analysis of confidence dynamics during the denoising process, we identify a volatility band (VB) region during dLLM decoding, which encodes local semantic structure and can be used to guide adaptive block sizing. Leveraging these insights, we introduce AdaBlock-dLLM, a training-free, plug-and-play scheduler that adaptively aligns block boundaries with semantic steps by adjusting block size during runtime. Extensive experiments across diverse benchmarks show that AdaBlock-dLLM achieves up to 5.3% accuracy improvement under the same throughput budget. Beyond inference-time optimization, we hope our semantics-aware adaptive scheduling approach and confidence-based analysis will inspire future training strategies for dLLMs. Our code is available at https://github.com/lgxi24/AdaBlock-dLLM.

Diffusion models can feel like a jungle of acronyms, but the core idea is simple: start from noise and gradually move a cloud of samples until it looks like real data. This post gives an intuition-first tour showing that DDPMs, score-based models, and flow matching are the same recipe with different prediction targets, all rooted in the change-of-variable rule from calculus and powered by one shared “conditional trick” that turns learning into supervised regression. Finally, we zoom out to the speed problem and show how flow map models aim to replace many tiny denoising steps with a few big, accurate jumps toward real-time generation.

Denoising Diffusion Probabilistic Models (DDPMs) and Hierarchical Variational Autoencoders (HVAEs) are typically studied as distinct paradigms for high-dimensional generative modeling. In this work, we bridge this gap by establishing a formal equivalence between DDPMs and HVAEs in the limit of infinite depth with a fixed, Markovian inference process. We argue that this architectural isomorphism is not merely a mathematical curiosity but the structural key to understanding the superior generalization capabilities of diffusion models. By viewing the forward diffusion process as a fixed encoder, we elucidate how DDPMs circumvent the posterior collapse often observed in deep VAEs, effectively balancing the trade-off between structural guidance and texture synthesis. We support this theoretical unification with empirical analysis of the semantic phase transitions in latent space and demonstrate the invariance of the Variational Lower Bound under noise schedule reparameterizations, confirming the interpretation of diffusion as a continuous-time hierarchical variational framework.

Graph structured data is commonly used to represent complex relationships such as transactions between accounts, communications between devices, and dependencies among machines or processes. Correspondingly, graph anomaly detection (GAD) plays a critical role in identifying anomalies across various domains, including finance, cybersecurity, manufacturing, etc. Facing the large-volume and multi-domain graph data, recent efforts aim to develop foundational generalist models capable of detecting anomalies in unseen graphs without retraining. To the best of our knowledge, the different feature semantics and dimensions of cross-domain graph structured data heavily hinders the development of graph foundation model, and leaves the further in-depth continual learning and inference capabilities in the evolving setting a quite nascent problem. To address these above challenges, we propose OWLEYE, a novel zero-shot GAD framework that learns transferable patterns of normal behavior from multiple graphs. Systematically, OWLEYE first introduces a cross-domain feature alignment module to harmonize feature distributions, which preserves domain-specific semantics during aligning more than the simple but widely-used Principle Component Analysis. Second, with aligned features, to enable method with continuous and scaling-up learning and inference capabilities, OWLEYE designs the multi-domain pattern dictionary learning to encode shared structural and attribute-based patterns. Third, for achieving the in-context learning ability, OWLEYE presents a truncated attention-based reconstruction module to robustly detect anomalies without requiring labeled data for unseen graph structured data. Extensive experiments on real-world datasets demonstrate that OWLEYE achieves superior performance and generalizability compared to state-of-the-art baselines, establishing a strong foundation for scalable and label-efficient anomaly detection.

In this paper, we propose a novel node-level graph diffusion method with low-rank feature learning for few-shot node classification (FSNC), termed Low-Rank Few-Shot Graph Diffusion Model or LR-FGDM. LR-FGDM first employs a novel Few-Shot Graph Diffusion Model (FGDM) as a node-level graph generative method to generate an augmented graph with an enlarged support set, then performs low-rank transductive classification to obtain the few-shot node classification results. Our graph diffusion model, FGDM, comprises two components, the Hierarchical Graph Autoencoder (HGAE) with an efficient hierarchical edge reconstruction method and a new prototypical regularization, and the Latent Diffusion Model (LDM). The low-rank regularization is robust to the noise inherently introduced by the diffusion model and empirically inspired by the Low Frequency Property. We also provide a strong theoretical guarantee justifying the low-rank regularization for the transductive classification in few-shot learning. To further enhance the performance of LR-FGDM, we introduce LRA-LR-FGDM with a novel efficient LR-Attention layer, or the LRA layer, which applies self-attention to the output of the LR-FGDM encoder. The LRA layer further reduces the kernel complexity of LR-FGDM and contributes to a tighter generalization bound, leading to improved performance. Extensive experimental results evidence the effectiveness of LR-FGDM for few-shot node classification, which outperforms the current state-of-the-art. The code of the LR-FGDM is available at \url{https://github.com/Statistical-Deep-Learning/LR-FGDM}.

Hypergraphs provide a natural way to represent higher-order interactions among multiple entities. While undirected hypergraphs have been extensively studied, the case of directed hypergraphs, which can model oriented group interactions, remains largely under-explored despite its relevance for many applications. Recent approaches in this direction often exhibit an implicit bias toward homophily, which limits their effectiveness in heterophilic settings. Rooted in the algebraic topology notion of Cellular Sheaves, Sheaf Neural Networks (SNNs) were introduced as an effective solution to circumvent such a drawback. While a generalization to hypergraphs is known, it is only suitable for undirected hypergraphs, failing to tackle the directed case. In this work, we introduce Directional Sheaf Hypergraph Networks (DSHN), a framework integrating sheaf theory with a principled treatment of asymmetric relations within a hypergraph. From it, we construct the Directed Sheaf Hypergraph Laplacian, a complex-valued operator by which we unify and generalize many existing Laplacian matrices proposed in the graph-and hypergraph-learning literature. Across 7 real-world datasets and against 13 baselines, DSHN achieves relative accuracy gains from 2% up to 20%, showing how a principled treatment of directionality in hypergraphs, combined with the expressive power of sheaves, can substantially improve performance.

In-context learning (ICL) converts static encoders into task-conditioned reasoners, enabling adaptation to new data from just a few examples without updating pretrained parameters. This capability is essential for graph foundation models (GFMs) to approach LLM-level generality. Yet current GFMs struggle with cross-domain alignment, typically relying on modality-specific encoders that fail when graphs are pre-vectorized or raw data is inaccessible. In this paper, we introduce Modality-Free Graph In-context Alignment (MF-GIA), a framework that makes a pretrained graph encoder promptable for few-shot prediction across heterogeneous domains without modality assumptions. MF-GIA captures domain characteristics through gradient fingerprints, which parameterize lightweight transformations that align pre-encoded features and indexed labels into unified semantic spaces. During pretraining, a dual prompt-aware attention mechanism with episodic objective learns to match queries against aligned support examples to establish prompt-based reasoning capabilities. At inference, MF-GIA performs parameter-update-free adaptation using only a few-shot support set to trigger cross-domain alignment and enable immediate prediction on unseen domains. Experiments demonstrate that MF-GIA achieves superior few-shot performance across diverse graph domains and strong generalization to unseen domains. The code is available at https://github.com/JhuoW/MF-GIA.

Graph Neural Networks (GNNs) have demonstrated strong predictive performance on relational data; however, their confidence estimates often misalign with actual predictive correctness, posing significant limitations for deployment in safety-critical settings. While existing graph-aware calibration methods seek to mitigate this limitation, they primarily depend on coarse one-hop statistics, such as neighbor-predicted confidence, or latent node embeddings, thereby neglecting the fine-grained structural heterogeneity inherent in graph topology. In this work, we propose Wavelet-Aware Temperature Scaling (WATS), a post-hoc calibration framework for node classification that assigns node-specific temperatures based on tunable heat-kernel graph wavelet features. Specifically, WATS harnesses the scalability and topology sensitivity of graph wavelets to refine confidence estimates, all without necessitating model retraining or access to neighboring logits or predictions. Extensive evaluations across nine benchmark datasets with varying graph structures and three GNN backbones demonstrate that WATS achieves the lowest Expected Calibration Error (ECE) among most of the compared methods, outperforming both classical and graph-specific baselines by up to 41.2\% in ECE and reducing calibration variance by 15.84\% on average compared with graph-specific methods. Moreover, WATS remains computationally efficient, scaling well across graphs of diverse sizes and densities. The implementation is available at \url{https://github.com/lxy1134/WATS.git}

Inductive link prediction with knowledge hypergraphs is the task of predicting missing hyperedges involving completely novel entities (i.e., nodes unseen during training). Existing methods for inductive link prediction with knowledge hypergraphs assume a fixed relational vocabulary and, as a result, cannot generalize to knowledge hypergraphs with novel relation types (i.e., relations unseen during training). Inspired by knowledge graph foundation models, we propose HYPER as a foundation model for link prediction, which can generalize to any knowledge hypergraph, including novel entities and novel relations. Importantly, HYPER can learn and transfer across different relation types of varying arities, by encoding the entities of each hyperedge along with their respective positions in the hyperedge. To evaluate HYPER, we construct 16 new inductive datasets from existing knowledge hypergraphs, covering a diverse range of relation types of varying arities. Empirically, HYPER consistently outperforms all existing methods in both node-only and node-and-relation inductive settings, showing strong generalization to unseen, higher-arity relational structures.

Universality results for equivariant neural networks remain rare. Those that do exist typically hold only in restrictive settings: either they rely on regular or higher-order tensor representations, leading to impractically high-dimensional hidden spaces, or they target specialized architectures, often confined to the invariant setting. This work develops a more general account. For invariant networks, we establish a universality theorem under separation constraints, showing that the addition of a fully connected readout layer secures approximation within the class of separation-constrained continuous functions. For equivariant networks, where results are even scarcer, we demonstrate that standard separability notions are inadequate and introduce the sharper criterion of entry-wise separability. We show that with sufficient depth or with the addition of appropriate readout layers, equivariant networks attain universality within the entry-wise separable regime. Together with prior results showing the failure of universality for shallow models, our findings identify depth and readout layers as a decisive mechanism for universality, additionally offering a unified perspective that subsumes and extends earlier specialized results.

Graph Neural Networks (GNNs) have advanced graph classification, yet they remain vulnerable to graph-level imbalance, encompassing class imbalance and topological imbalance. To address both types of imbalance in a unified manner, we propose UniImb, a Unified framework for Imbalanced graph classification. Specifically, UniImb first captures multi-scale topological features and enhances data diversity via learnable personalized graph perturbations. It then employs a dynamic balanced prototype module to learn representative prototypes from graph instances, improving the quality of graph representations. Concurrently, a prototype load-balancing optimization term mitigates dominance by majority samples to equalize sample influence during training. We justify these design choices theoretically using the Information Bottleneck principle. Extensive experiments on 19 datasets-including a large-scale imbalanced air pollution graph dataset AirGraph released by us and 23 baselines demonstrate that UniImb has achieved dominant performance across various imbalanced scenarios. Our code is available at GitHub.

Node affinity prediction is a common task that is widely used in temporal graph learning with applications in social and financial networks, recommender systems, and more. Recent works have addressed this task by adapting state-of-the-art dynamic link property prediction models to node affinity prediction. However, simple heuristics, such as persistent forecast or moving average, outperform these models. In this work, we analyze the challenges in training current Temporal Graph Neural Networks for node affinity prediction and suggest appropriate solutions. Combining the solutions, we develop NAVIS - Node Affinity prediction model using VIrtual State, by exploiting the equivalence between heuristics and state space models. While promising, training NAVIS is non-trivial. Therefore, we further introduce a novel loss function for node affinity prediction. We evaluate NAVIS on TGB and show that it outperforms the state of the art, including heuristics.

Learning-based methods for routing have gained significant attention in recent years, both in single-objective and multi-objective contexts. Yet, existing methods are unsuitable for routing on multigraphs, which feature multiple edges with distinct attributes between node pairs, despite their strong relevance in real-world scenarios. In this paper, we propose two graph neural network-based methods to address multi-objective routing on multigraphs. Our first approach operates directly on the multigraph by autoregressively selecting edges until a tour is completed. The second model, which is more scalable, first simplifies the multigraph via a learned pruning strategy and then performs autoregressive routing on the resulting simple graph. We evaluate both models empirically, across a wide range of problems and graph distributions, and demonstrate their competitive performance compared to strong heuristics and neural baselines.

As demands for resource efficiency and safety in modern neural networks intensify, substantial research effort has gone into model compression and adversarial robustness. Yet despite progress on each in isolation, a systematic understanding of how compressibility shapes robustness remains elusive. In this paper, we develop a principled framework to analyze how different forms of structured compressibility - such as neuron-level and spectral compressibility - affect adversarial robustness. We show that structured compressibility can induce a small number of highly sensitive directions in the representation space, which adversaries can exploit to construct effective perturbations. Our analysis yields a robustness bound that reveals how neuron and spectral compressibility impact $\ell_\infty$ and $\ell_2$ robustness via their effects on the learned representations. Crucially, the vulnerabilities we identify arise irrespective of how compressibility is achieved - whether via regularization, architectural bias, or learning dynamics. Through empirical evaluations across synthetic and realistic tasks, we confirm our theoretical predictions, and further demonstrate that these vulnerabilities persist under adversarial training and transfer learning, and contribute to the emergence of universal adversarial examples. Our findings show a fundamental tension between structured compressibility and robustness and highlight new pathways for designing models that are efficient and safe.

Despite their empirical success, neural networks remain vulnerable to small, adversarial perturbations. A longstanding hypothesis suggests that flat minima, regions of low curvature in the loss landscape, offer increased robustness. While intuitive, this connection has remained largely informal and incomplete. By rigorously formalizing the relationship, we show this intuition is only partially correct: flatness implies local but not global adversarial robustness. To arrive at this result, we first derive a closed-form expression for relative flatness in the penultimate layer, and then show we can use this to constrain the variation of the loss in input space. This allows us to formally analyze the adversarial robustness of the entire network. We then show that to maintain robustness beyond a local neighborhood, the loss needs to curve sharply away from the data manifold. We validate our theoretical predictions empirically across architectures and datasets, uncovering the geometric structure that governs adversarial vulnerability, and linking flatness to model confidence: adversarial examples often lie in large, flat regions where the model is confidently wrong. Our results challenge simplified views of flatness and provide a nuanced understanding of its role in robustness.

The Lipschitz constant of a neural network is connected to several important properties of the network such as its robustness and generalization. It is thus useful in many settings to estimate the Lipschitz constant of a model. Prior work has focused mainly on estimating the Lipschitz constant of multi-layer perceptrons and convolutional neural networks. Here we focus on data modeled as sets or multisets of vectors and on neural networks that can handle such data. These models typically apply some permutation invariant aggregation function, such as the sum, mean or max operator, to the input multisets to produce a single vector for each input sample. In this paper, we investigate whether these aggregation functions, along with an attention-based aggregation function, are Lipschitz continuous with respect to three distance functions for unordered multisets, and we compute their Lipschitz constants. In the general case, we find that each aggregation function is Lipschitz continuous with respect to only one of the three distance functions, while the attention-based function is not Lipschitz continuous with respect to any of them. Then, we build on these results to derive upper bounds on the Lipschitz constant of neural networks that can process multisets of vectors, while we also study their stability to perturbations and generalization under distribution shifts. To empirically verify our theoretical analysis, we conduct a series of experiments on datasets from different domains.

Direct Preference Optimization (DPO) has become the de facto standard for offline preference alignment of large language models, but its reliance on a reference policy introduces a critical tension. DPO weighs each update relative to a reference, which stabilizes the training by regularizing the updates within a trusted region. This reliance becomes problematic for pessimistic pairs, where the reference model prefers the rejected response. For these pairs, DPO prematurely attenuates the gradient as soon as the policy margin ($\Delta_\theta$) merely beats the reference margin ($\Delta_{\mathrm{ref}}$) even if the policy is still wrong ($\Delta_{\theta}<0$). We name this failure premature satisfaction, which is a concrete form of the training–inference mismatch. Reference-free objectives remove this mismatch by optimizing the absolute margin, but at the cost of discarding the stabilizing signal of the reference. We mitigate this tension with Hybrid-DPO (HyPO), a drop-in modification to DPO that applies reference conditionally: HyPO behaves exactly like DPO when the reference is optimistic or neutral, and it treats the reference as neutral when it is pessimistic by replacing $\Delta_\theta-\Delta_{\mathrm{ref}}$ with $\Delta_\theta-\max\{0,\Delta_{\mathrm{ref}}\}$. This one-line change strictly strengthens per-example learning signals on pessimistic pairs while preserving DPO’s objective form and computational cost. By conditionally debiasing the pessimistic reference signal, HyPO mitigates premature satisfaction; empirically, across preference alignment, HyPO improves inference-aligned metrics and achieves higher pairwise win rates. Our results provide evidence that direct preference alignment could be enhanced by conditionally debiasing the reference signal, rather than discarding it.

Multimodal learning is of continued interest in artificial intelligence-based applications, motivated by the potential information gain from combining different data modalities. However, modalities observed in the source environment may differ from the modalities observed in the target environment due to multiple factors, including cost, hardware failure, or the perceived *informativeness* of a given modality. This change in missingness patterns between the source and target environment has not been carefully studied. Naïve estimation of the information gain associated with including an additional modality without accounting for missingness may result in improper estimates of that modality's value in the target environment. We formalize the problem of missingness, demonstrate its ubiquity, and show that the subsequent distribution shift induces bias when the missingness process is not explicitly accounted for. To address this issue, we introduce $\text{ICYM}^2\text{I}$ (In Case You Multimodal Missed It), a framework for the evaluation of predictive performance and information gain under missingness through inverse probability weighting-based correction. We demonstrate the importance of the proposed adjustment to estimate information gain under missingness on synthetic, semi-synthetic, and real-world datasets.

Large language models (LLMs) are evolving into agentic systems that reason, plan, and operate external tools. The Model Context Protocol (MCP) is a key enabler of this transition, offering a standardized interface for connecting LLMs with heterogeneous tools and services. Yet MCP's openness and multi-server workflows introduce new safety risks that existing benchmarks fail to capture, as they focus on isolated attacks or lack real-world coverage. We present MCP-SafetyBench, a comprehensive benchmark built on real MCP servers that supports realistic multi-turn evaluation across five domains—browser automation, financial analysis, location navigation, repository management, and web search. It incorporates a unified taxonomy of 20 MCP attack types spanning server, host, and user sides, and includes tasks requiring multi-step reasoning and cross-server coordination under uncertainty. Using MCP-SafetyBench, we systematically evaluate leading open- and closed-source LLMs, revealing that all models remain vulnerable to MCP attacks, with a notable safety-utility trade-off. Our results highlight the urgent need for stronger defenses and establish MCP-SafetyBench as a foundation for diagnosing and mitigating safety risks in real-world MCP deployments. Our benchmark is available at https://github.com/xjzzzzzzzz/MCPSafety.

Labeling errors in datasets are common, arising in a variety of contexts, such as human labeling and weak labeling. Although neural networks (NNs) can tolerate modest amounts of these errors, their performance degrades substantially once the label error rate exceeds a certain threshold. We propose the Rockafellian Relaxation Method (RRM) -- an architecture-independent, loss reweighting approach to enhance the capacity of neural network methods to accommodate noisy labeled data. More precisely, it functions as a wrapper, modifying any methodology's training loss - particularly, the supervised component. Experiments indicate RRM can provide an increase to accuracy across classification tasks in computer vision and natural language processing (sentiment analysis). This observed potential for increase holds irrespective of dataset size, noise generation (synthetic/human), data domain, and adversarial perturbation.

Large Language Models (LLMs) demonstrate strong performance on mathematical problems when prompted with Chain-of-Thought (CoT), yet it remains unclear whether this success stems from search, rote procedures, or rule-consistent reasoning. To address this, we propose modeling CoT as a certain rule-based stochastic process over directed acyclic graphs (DAGs), where nodes represent intermediate derivation states and edges encode rule applications. Within this framework, we introduce \textbf{logical closeness}, a metric that quantifies how well a model’s CoT trajectory (i.e., the LLM's final output) adheres to the DAG structure, providing evaluation beyond classical PASS@$k$ metrics. Building on this, we introduce the \emph{DAG-MATH} CoT format and construct a benchmark that guides LLMs to generate CoT trajectories in this format, thereby enabling the evaluation of their reasoning ability under our framework. Across standard math reasoning datasets, our analysis uncovers statistically significant differences in reasoning fidelity among representative LLM families-even when PASS@$k$ is comparable-highlighting gaps between final-answer accuracy and rule-consistent derivation. Our framework provides a balance between free-form CoT and formal proofs systems, offering actionable diagnostics for LLMs reasoning evaluation. Our benchmark and code are available at https://github.com/YuanheZ/DAG-MATH.

Most expressivity results for transformers treat them as language recognizers—devices that accept or reject strings—rather than as they are used in practice: as language models that generate strings autoregressively and probabilistically. We characterize the probability distributions that transformer language models can express. We show that making transformer language recognizers autoregressive can sometimes increase their expressivity, and that making them probabilistic can break equivalences that hold in the non-probabilistic case. Our overall contribution is to tease apart what functions transformers are capable of expressing in their most common use case as language models.

Large language models rely on attention mechanisms with a softmax activation. Yet the dominance of softmax over alternatives (e.g., component-wise or linear) remains poorly understood, and many theoretical works have focused on the easier-to-analyze linearized attention. In this work, we address this gap through a principled study of the single-location regression task, where the output depends on a linear transformation of a single input token at a random location. Building on ideas from statistical physics, we develop an analysis of attention-based predictors in the high-dimensional limit, where generalization performance is captured by a small set of order parameters. At the population level, we show that softmax achieves the Bayes risk, whereas linear attention fundamentally falls short. We then examine other activation functions to identify which properties are necessary for optimal performance. Finally, we analyze the finite-sample regime: we provide an asymptotic characterization of the test error and show that, while softmax is no longer Bayes-optimal, it consistently outperforms linear attention. We discuss the connection with optimization by gradient-based algorithms.

Batch size scheduling (BSS) plays a critical role in large-scale deep learning training, influencing both optimization dynamics and computational efficiency. Yet, its theoretical foundations remain poorly understood. In this work, we show that the functional scaling law (FSL) framework introduced in Li et al. (2025a) provides a principled lens for analyzing BSS. Specifically, we characterize the optimal BSS under a fixed data budget and show that its structure depends sharply on task difficulty. For easy tasks, optimal schedules keep increasing batch size throughout. In contrast, for hard tasks, the optimal schedule maintains small batch sizes for most of training and switches to large batches only in a late stage. To explain the emergence of late switching, we uncover a dynamical mechanism—the fast catch-up effect—which also manifests in large language model (LLM) pretraining. After switching from small to large batches, the loss rapidly aligns with the constant large-batch trajectory. Using FSL, we show that this effect stems from rapid forgetting of accumulated gradient noise, with the catch-up speed determined by task difficulty. Crucially, this effect implies that large batches can be safely deferred to late training without sacrificing performance, while substantially reducing data consumption. Finally, extensive LLM pretraining experiments—covering both Dense and MoE architectures with up to 1.1B parameters and 1T tokens—validate our theoretical predictions. Across all settings, late-switch schedules consistently outperform constant-batch and early-switch baselines.

In-context learning (ICL) is a central capability of Transformer models, but the structures in data that enable its emergence and govern its robustness remain poorly understood. In this work, we study how the structure of pretraining tasks governs generalization in ICL. Using a solvable model for ICL of linear regression by linear attention, we derive an exact expression for ICL generalization error in high dimensions under arbitrary pretraining–testing task covariance mismatch. This leads to a new alignment measure that quantifies how much information about the pretraining task distribution is useful for inference at test time. We show that this measure directly predicts ICL performance not only in the solvable model but also in nonlinear Transformers. Our analysis further reveals a tradeoff between specialization and generalization in ICL: depending on task distribution alignment, increasing pretraining task diversity can either improve or harm test performance. Together, these results identify train-test task alignment as a key determinant of generalization in ICL.

State space models (SSMs) often sacrifice capacity, search space, or stability to offset the memory and compute costs of large state dimensions. We introduce a structured post-training pruning method for SSMs — AIRE-Prune (Asymptotic Impulse- Response Energy for State PRUN(E)ing ) — that reduces each layer’s state dimension by directly minimizing long-run output-energy distortion. AIRE-Prune assigns every state a closed-form asymptotic impulse-response energy based score, i.e., the total impulse-response energy it contributes over an infinite horizon (time), and normalizes these scores layer-wise to enable global cross-layer comparison and selection. This extends modal truncation from single systems to deep stacks and aligns pruning with asymptotic response energy rather than worst-case gain. Across diverse sequence benchmarks, AIRE-Prune reveals substantial redundancy in SISO and MIMO SSMs with average pruning of 60.8%, with average accuracy drop of 0.29% without retraining while significantly lowering compute.

As generative models become ubiquitous, there is a critical need for fine-grained control over the generation process. Yet, while controlled generation methods from prompting to fine-tuning proliferate, a fundamental question remains unanswered: are these models truly controllable in the first place? In this work, we provide a theoretical framework to formally answer this question. Framing human-model interaction as a control process, we propose a novel algorithm to estimate the controllable sets of models in a dialogue setting. Notably, we provide formal guarantees on the estimation error as a function of sample complexity: we derive probably-approximately correct bounds for controllable set estimates that are distribution-free, employ no assumptions except for output boundedness, and work for any black-box nonlinear control system (i.e., any generative model). We empirically demonstrate the theoretical framework on different tasks in controlling dialogue processes, for both language models and text-to-image generation. Our results show that model controllability is surprisingly fragile and highly dependent on the experimental setting. This highlights the need for rigorous controllability analysis, shifting the focus from simply attempting control to first understanding its fundamental limits.

Scaling laws describe how learning performance improves with data, compute, or training time, and have become a central theme in modern deep learning. We study this phenomenon in a canonical nonlinear model: phase retrieval with anisotropic Gaussian inputs whose covariance spectrum follows a power law. Unlike the isotropic case, where dynamics collapse to a two-dimensional system, anisotropy yields a qualitatively new regime in which an infinite hierarchy of coupled equations governs the evolution of the summary statistics. We develop a tractable reduction that reveals a three-phase trajectory: (i) fast escape from low alignment, (ii) slow convergence of the summary statistics, and (iii) spectral-tail learning in low-variance directions. From this decomposition, we derive explicit scaling laws for the mean-squared error, showing how spectral decay dictates convergence times and error curves. Experiments confirm the predicted phases and exponents. These results provide the first rigorous characterization of scaling laws in nonlinear regression with anisotropic data, highlighting how anisotropy reshapes learning dynamics.

Despite the importance of global contextual modeling in visual tasks, a rigorous mathematical definition remains absent, and the concept is still largely described in heuristic or empirical terms. Existing methods either rely on computationally expensive attention mechanisms or are constrained by the recursive modeling nature of State Space Models (SSMs), making it challenging to achieve both efficiency and true global perception. To address this, we first propose a mathematical definition of global modeling for visual images, providing a theoretical foundation for designing globally-aware and interpretable models. Based on in-depth analysis of SSMs and frequency-domain modeling principles, we construct a complete theoretical framework that overcomes the limitations imposed by SSMs' recursive modeling mechanism from a frequency perspective, thereby adapting SSMs for global perception in image modeling. Guided by this framework, we design the Global-aware SSM (GSSM) module and formally prove that it satisfies definitional requirements of global image modeling. GSSM leverages a Discrete Fourier Transform (DFT)-based modulation mechanism, providing precise front-end control over the SSM's modeling behavior, and enabling efficient global image modeling with linear-logarithmic complexity. Building upon GSSM, we develop GMamba, a plug-and-play module that can be seamlessly integrated at any stage of Convolutional Neural Networks (CNNs). Extensive experiments across multiple tasks, including object detection, semantic segmentation, and instance segmentation, across diverse model architectures, demonstrate that GMamba consistently outperforms existing global modeling modules, validating both the effectiveness of our theoretical framework and the rigor of proposed definition. Code is available at \url{https://github.com/Xinmu-Tantai/GMamba-GSSM}

Transformers have become the de facto backbone of modern deep learning, yet their training typically demands an advanced optimizer with adaptive learning rate like AdamW, rather than a momentum SGDW (mSGDW). Previous works show that it is mainly due to a heavy-tailed distribution of the gradients. In this paper, we introduce a Deeply Normalized Transformer (DNT), that is meticulously engineered to overcome the heavy-tailed gradients issue, enabling seamless training with vanilla mSGDW while yielding comparable performance to the Transformers trained via AdamW. Specifically, in DNT, we strategically integrate normalization techniques at proper positions in the Transformers to effectively modulate the Jacobian matrices of each layer, balance the influence of weights, activations, and their interactions, and thus enable the distributions of gradients concentrated. We provide both theoretical justifications of the normalization technique used in our DNT and extensive empirical evaluation on two popular Transformer architectures (\ie, ViT and GPT), validating that: a) DNT can be effectively trained with a vanilla mSGDW; and b) DNT outperforms its counterparts.

Mathematical problem solving remains a challenging test of reasoning for large language and multimodal models, yet existing benchmarks are limited in size, language coverage, and task diversity. We introduce MathNet, a high-quality, large-scale, multimodal, and multilingual dataset of Olympiad-level math problems together with a benchmark for evaluating mathematical reasoning in generative models and mathematical retrieval in embedding-based systems. MathNet spans 47 countries, 16 languages, and two decades of competitions, comprising 30,676 expert-authored problems with solutions across diverse domains. In addition to the core dataset, we construct a retrieval benchmark consisting of mathematically equivalent and structurally similar problem pairs curated by human experts. MathNet supports three tasks: (i) mathematical problem solving, (ii) problem retrieval, and (iii) retrieval-augmented problem solving (math RAG). Experimental results show that even state-of-the-art reasoning models (78.4% for Gemini-3.1-Pro and 69.3% for GPT-5) remain challenged, while embedding models struggle to retrieve equivalent problems. We further show that RAG performance is highly sensitive to retrieval quality; for example, DeepSeek-V3.2-Speciale achieves gains of up to 12%, obtaining the highest scores on the benchmark. MathNet provides the largest high-quality Olympiad dataset together with the first benchmark for evaluating mathematical problem retrieval, and we publicly release both the dataset and benchmark at https://mathnet.mit.edu.

Deploying large language models (LLMs) on platforms with insufficient computational resources remains a key challenge. Weight pruning is an efficient model compression technique that can reduce model size without retraining LLMs. However, due to the massive number of parameters, it is infeasible to estimate the importance of weights globally, and most prior studies assign a uniform sparsity ratio across all layers. Recent findings reveal that layers contribute unevenly to LLM performance, making it necessary to investigate Layer-wise importance. Existing Layer-wise sparsity allocation methods, such as OWL and DLP, rely on weight scoring and carefully designed score proxies to estimate Layer-wise importance and sparsity ratios, while enforcing identical sparsity to blocks and projection weights within a layer to avoid performance degradation. In this work, we propose Layer-wise Sparsity Allocation (LSA) for LLM pruning, which quantifies Layer-wise importance by evaluating the minimal linear reconstruction error (LSE) of each transformer layer under the assumption that 50\% of its least important weights are removed. Moreover, our method supports non-uniform sparsity allocation at block- or projection-level granularity within layers, without incurring catastrophic performance degradation. Experimental results demonstrate that LSA maintains high performance at high sparsity levels. At an overall sparsity ratio of 70\%, LSA surpasses state-of-the-art methods across language modeling tasks and seven zero-shot tasks.

Modeling long spatiotemporal sequences requires capturing both complex spatial correlations and temporal dependencies. Convolutional State Space Models (ConvSSMs) have been proposed to incorporate spatial modeling in State Space Models (SSMs) using the convolution of tensor-valued states and kernels. Yet, existing implementations remain limited to $1\times 1$ state kernels for computational feasibility, which limits the modeling capacity of ConvSSMs. We introduce a novel spatiotemporal model, ConvT3 (ConvSSM using Tridiagonal Toeplitz Tensors), designed to equivalently realize ConvSSMs with extended $3\times 3$ state kernels. ConvT3 structures a state kernel for its corresponding tensor to be composed as a structured SSM matrix on hidden state dimensions and a constrained tridiagonal Toeplitz tensor on spatial dimensions. We show that the structured tensor can be diagonalized, which enables efficient parallel training while leveraging $3\times 3$ state convolutions. We demonstrate that ConvT3 effectively embeds rich spatial and temporal information into the dynamics of tensor-valued states, achieving state-of-the-art performance on most metrics in long-range video generation and physical system modeling.

The MCP standardizes how LLMs interact with external systems, forming the foundation for general agents. However, existing MCP benchmarks remain narrow in scope: they focus on read-heavy tasks or tasks with limited interaction depth, and fail to capture the complexity and realism of real-world workflows. To address this gap, we propose \texttt{MCPMark}, a benchmark designed to evaluate MCP use in a more realistic and comprehensive manner. It consists of $127$ high-quality tasks collaboratively created by domain experts and AI agents, each with a curated initial state and programmatic verification script. These tasks demand diverse CRUD operations and richer environmental interactions. We evaluate cutting-edge LLMs using a minimal agent framework. The best-performing model, \texttt{gpt-5-medium}, reaches only $52.56$\% pass@1 and $33.86$\% pass\textasciicircum{}4, while other strong models including \texttt{claude-sonnet-4} and \texttt{o3} fall below $30$\% pass@1 and $15$\% pass\textasciicircum{}4. On average, LLMs require $16.2$ turns and $17.4$ tool calls per task, highlighting the stress-testing nature of \texttt{MCPMark}.

Comparing human and model performance offers a valuable perspective for understanding the strengths and limitations of embedding models, highlighting where they succeed and where they fail to capture meaning and nuance. However, such comparisons are rarely made, as human performance on embedding tasks is difficult to measure. To fill this gap, we introduce HUME: Human Evaluation Framework for Text Embeddings. While frameworks like MTEB provide broad model evaluation, they lack reliable estimates of human performance, limiting the interpretability of model scores. We measure human performance across 16 MTEB datasets spanning reranking, classification, clustering, and semantic textual similarity across linguistically diverse high- and low-resource languages. Humans achieve an average performance of 77.6% compared to 80.1% for the best embedding model, though with substantial variation: models reach high performance on some datasets while struggling on notably low-resource languages. Our human annotations also reveal multiple dataset issues. We additionally benchmark nine LLMs as annotators on reranking, classification, and STS tasks, finding that they fall short of human performance (76.1% vs. 81.2%) despite offering scalability advantages. We provide human performance baselines, insights into task difficulty patterns, and an extensible evaluation framework that enables a more meaningful interpretation of results and informs the development of both models and benchmarks. Our code, dataset, and leaderboard are publicly available at https://github.com/embeddings-benchmark/mteb.

Diffusion-based large language models (dLLMs) have recently emerged as a powerful alternative to autoregressive LLMs, offering faster inference and greater interactivity via parallel decoding and bidirectional modeling. However, despite strong performance in code generation and text infilling, we identify a fundamental safety concern: existing alignment mechanisms fail to safeguard dLLMs against context-aware, masked-input adversarial prompts, exposing novel vulnerabilities. To this end, we present DIJA, the first systematic study and jailbreak attack framework that exploits unique safety weaknesses of dLLMs. Specifically, our proposed DIJA constructs adversarial interleaved mask-text prompts that exploit the text generation mechanisms of dLLMs, i.e., bidirectional modeling and parallel decoding. Bidirectional modeling drives the model to produce contextually consistent outputs for masked spans, even when harmful, while parallel decoding limits model dynamic filtering and rejection sampling of unsafe content. This causes standard alignment mechanisms to fail, enabling harmful completions in alignment-tuned dLLMs, even when harmful behaviors or unsafe instructions are directly exposed in the prompt. Through comprehensive experiments, we demonstrate that DIJA significantly outperforms existing jailbreak methods, exposing a previously overlooked threat surface in dLLM architectures. Notably, our method achieves up to 100\% keyword-based ASR on Dream-Instruct, surpassing the strongest prior baseline, ReNeLLM, by up to 78.5\% in evaluator-based ASR on JailbreakBench and by 37.7 points in StrongREJECT score, while requiring no rewriting or hiding of harmful content in the jailbreak prompt. Our findings underscore the urgent need for rethinking safety alignment in this emerging class of language models. Code is available at https://github.com/ZichenWen1/DIJA.

Federated learning (FL), as a privacy-preserving distributed machine learning paradigm, enables clients to collaboratively train a global model without sharing local data. However, in real-world scenarios, domain shift caused by different source clients leads to structural discrepancies in the feature space, resulting in performance degradation of the global model. Although existing prototype-based FL methods offer improvements in cross-domain feature alignment, they still struggle to adapt to dynamic semantic structures and fail to continuously respond to the changing semantic separability and variance structure during training. To address this, we propose FedPTE, an FL framework with prototype topology evolution. Specifically, FedPTE treats prototype clusters as variable topological units, employing Bayesian Gaussian Mixture Models and marginal likelihood ratios on the server to perform probabilistic inference, which enables adaptive structural adjustments. Meanwhile, FedPTE introduces a stability constraint mechanism to balance the adaptability of topological evolution and training stability. By conducting prototype topology-aware contrastive learning on clients, it enhances the discriminability and cross-domain consistency of features. Experimental results demonstrate that FedPTE achieves superior performance across multiple cross-domain datasets, showcasing its strong expressiveness and generalization capability in heterogeneous domains.

Recently, Ainsworth et al. empirically demonstrated that, given two independently trained models, applying a parameter permutation that preserves the input–output behavior allows the two models to be connected by a low-loss linear path. When such a path exists, the models are said to achieve linear mode connectivity (LMC). Prior studies, including Ainsworth et al. (2023), have reported that achieving LMC requires not only an appropriate permutation search but also sufficiently wide models (e.g., a 32 $\times$ width multiplier for ResNet-20). This is broadly believed to be because increasing the model width ensures a large enough space of candidate permutations, increasing the chance of finding one that yields LMC. In this work, we empirically demonstrate that, __even without any permutations__, simply widening the models is sufficient for achieving LMC when using a suitable softmax temperature calibration. We further explain why this phenomenon arises by analyzing intermediate layer outputs. Specifically, we introduce layerwise exponentially weighted connectivity (LEWC), which states that the output of each layer of the merged model can be represented as an exponentially weighted sum of the outputs of the corresponding layers of the original models. Consequently the merged model's output matches that of an ensemble of the original models, facilitating LMC. To the best of our knowledge, this work is the first to show that widening the model not only facilitates __nonlinear__ mode connectivity, as suggested in prior research, but also significantly increases the possibility of achieving __linear__ mode connectivity.

Majority voting has proven effective for close-ended question answering by aggregating parallel reasoning traces. However, it is not directly applicable to open-ended reasoning, such as code generation and web-based deep research, where a “majority” over complete solutions is ill-defined. We introduce THINKMERGE, a training-free, plug-and-play decoding strategy that runs K parallel reasoning traces and averages their next-token logits at synchronization points to produce a single coherent output. THINKMERGE integrates seamlessly with vLLM/SGLang and remains compatible with standard decoding techniques such as Top-p/Top-k. Empirically, it matches or surpasses majority voting on AIME and GPQA, while delivering consistent gains on open-ended coding tasks: on LiveCodeBench (hard), pass@1 improves by +8.28% for DeepCoder-14B-Preview and +7.58% for Qwen3-8B. Beyond code, we further show that THINKMERGE improves web-based deep-research agents (e.g., WebSailor-7B/32B) across GAIA, BrowseComp-en/zh, and XbenchDeepSearch. These results demonstrate that parallel test-time scaling can benefit open-ended reasoning without relying on voting over complete outputs.

Human cognition is compositional, and one can parse a visual scene into independent concepts and the corresponding concept-changing rules. By contrast, many vision-language systems process images holistically, with limited support for explicit decomposition. Previous methods of decomposing concepts and rules often rely on hand-crafted inductive biases or human-designed priors. We introduce a Concept-Rule Decomposition (CRD) framework to decompose concept-level rules with Large Vision-Language Models (LVLMs), which explains visual input by leveraging LVLM-extracted concepts and the rules governing their variation. The proposed method operates in two stages: (1) a pretrained LVLM proposes visual concepts and concept values, which are employed to instantiate a space of concept rule functions that model concept changes and spatial distributions; (2) an iterative process to select a concise set of concepts that best account for the input according to the rule function. We evaluate CRD on an abstract visual reasoning benchmark, a spatial reasoning benchmark, and a real-world image caption dataset. Across both settings, our approach outperforms baseline models while improving interpretability by explicitly revealing underlying concepts and compositional rules, advancing explainable and generalizable visual reasoning.

Trained Transformers have been shown to compute abstract features that appear redundant for predicting the immediate next token. We identify which components of the gradient signal from the next-token prediction objective give rise to this phenomenon, and we propose a method to estimate the influence of those components on the emergence of specific features. After validating our approach on toy tasks, we use it to interpret the origins of the world model in OthelloGPT and syntactic features in a small language model. Finally, we apply our framework to a pretrained LLM, showing that features with extremely high or low influence on future tokens tend to be related to formal reasoning domains such as code. Overall, our work takes a step toward understanding hidden features of Transformers through the lens of their development during training.

Major progress on language models (LMs) in recent years has largely resulted from moving away from specialized models designed for specific tasks, to general models based on powerful architectures (e.g. the Transformer) that learn everything from raw data. Despite this trend, pre-processing steps such as tokenization remain a barrier to true end-to-end foundation models. We introduce a collection of new techniques that enable a dynamic chunking mechanism which automatically learns content- and context- dependent segmentation strategies learned jointly with the rest of the model. Incorporating this into an explicit hierarchical network (H-Net) allows replacing the (implicitly hierarchical) tokenization--LM--detokenization pipeline with a single model learned fully end-to-end. When compute- and data- matched, an H-Net with one stage of hierarchy operating at the byte level outperforms a strong Transformer language model operating over BPE tokens. Iterating the hierarchy to multiple stages further increases its performance by modeling multiple levels of abstraction, demonstrating significantly better scaling with data and matching the token-based Transformer of twice its size. H-Nets pretrained on English show significantly increased character-level robustness, and qualitatively learn meaningful data-dependent chunking strategies without any heuristics or explicit supervision. Finally, the H-Net's improvement over tokenized pipelines is further increased in languages and modalities with weaker tokenization heuristics, such as Chinese and code, or DNA sequences (nearly 4x improvement in data efficiency over baselines), showing the potential of true end-to-end models that learn and scale better from unprocessed data.

Personalized alignment is crucial for enabling Large Language Models (LLMs) to engage effectively in user-centric interactions. However, current methods face a dual challenge: they fail to infer users' deep implicit preferences (including unstated goals, semantic context and risk tolerances), and they lack the defensive reasoning required to navigate real-world ambiguity. This cognitive gap leads to responses that are superficial, brittle and short-sighted. To address this, we propose Critique-Driven Reasoning Alignment (CDRA), which reframes alignment from a scalar reward-matching task into a structured reasoning process. First, to bridge the preference inference gap, we introduce the DeepPref benchmark. This dataset, comprising 3000 preference-query pairs across 20 topics, is curated by simulating a multi-faceted cognitive council that produces critique-annotated reasoning chains to deconstruct query semantics and reveal latent risks. Second, to instill defensive reasoning, we introduce the Personalized Generative Process Reward Model (Pers-GenPRM), which frames reward modeling as a personalized reasoning task. It generates a critique chain to evaluate a response's alignment with user preferences before outputting a final score based on this rationale. Ultimately, this interpretable, structured reward signal guides policy model through Critique-Driven Policy Alignment, a process-level online reinforcement learning algorithm integrating both numerical and natural language feedback. Experiments demonstrate that CDRA excels at discovering and aligning with users' true preferences while executing robust reasoning. Our dataset is available at \url{https://DeepPref.github.io/}.

Large language models (LLMs) sometimes memorize undesirable knowledge, which must be removed after deployment. Prior work on machine unlearning has focused largely on optimization methods that adjust parameters to enforce forgetting while preserving retention. However, these approaches assume that the forget and retain sets are readily available, which rarely holds in practice. Unlearning is typically triggered by an undesired generation at inference time, making the retrieval of relevant data the central challenge. We introduce the notion of data Pareto improvement for LLM unlearning, which formalizes how retrieval can expand the achievable trade-off frontier between forgetting and retention. To realize this principle, we propose Randomized Antipodal Search on Linearized Influence Kernel (RASLIK), a retrieval algorithm that combines permutation–projection hashing with randomized antipodal search. RASLIK reduces selection variance, achieves sublinear complexity, and yields a double gain in both quality and efficiency. Across multiple models, datasets, and unlearning algorithms, RASLIK consistently outperforms deterministic baselines and even oracle sampling, establishing randomized search as a principled and scalable solution for data-centric unlearning.

What happens when multiple compression methods are combined—does the order in which they are applied matter? Joint model compression has emerged as a powerful strategy to achieve higher efficiency by combining multiple methods such as pruning and quantization. A central but underexplored factor in joint model compression is the compression order, or the sequence of different methods within the compression pipeline. Most prior studies have either sidestepped the issue by assuming orthogonality between techniques, while a few have examined them only in highly constrained cases. Consequently, the broader role of compression order in shaping model performance remains poorly understood. In this paper, we address the overlooked problem of compression order and provide both theoretical and empirical analysis. We formulate the problem of optimizing the compression order and introduce the Progressive Intensity Hypothesis, which states that weaker perturbations should precede stronger ones. We provide theoretical guarantees showing that the relative benefit of one order increases with the underlying performance gap. Extensive experiments on both language and vision models validate the hypothesis, and further show its generality to broader setups such as multi-stage compression and mixed-precision quantization.

Modern AI algorithms increasingly adopt fused kernels for performance, but implementing them remains complex due to the lack of fine-grained control in existing compilers like Triton. We introduce TileLang, a controllable programming system for fused neural kernels. TileLang provides explicit tile-level primitives for memory placement, data movement, and parallel scheduling. To guide developers in hardware-aware programming, the TileLang introduces two key techniques: tile inference which models tile programs as fused graphs and automatically deduces tile configuration from partial annotations; and tile recommendation that suggests efficient tile configurations based on hardware profiles and heuristics. TileLang makes it easy to express a wide range of fused attention kernels in under 80 lines of Python code, reducing code size by up to 90% compared to manual implementations. Evaluations show that TileLang achieves up to 5x speedup over Triton on NVIDIA H100 and up to 6 on AMD GPUs, demonstrating its ability to bridge programmability and performance.

Large language models perform well on many medical QA benchmarks, but real clinical reasoning is harder because diagnosis often requires integrating evidence across multiple images rather than interpreting a single view. We introduce MedThinkVQA, an expert-annotated benchmark for thinking with multiple images, in which models must interpret each image, combine cross-view evidence, and solve diagnostic questions under intermediate supervision and step-level evaluation. The dataset contains 10,067 cases, including 720 test cases, with an average of 6.68 images per case, substantially denser than prior work (earlier maxima $\leq$ 1.43). On the test set, the best closed-source models, Claude-4.6-opus, Gemini-3-pro, and GPT-5.2-xhigh, achieve only 54.9%--57.2% accuracy, while smaller proprietary variants, GPT-5-mini/nano, drop to 39.7% and 30.8%. Top open-source models perform worse overall, with Qwen3.5-397B-A17B (52.2%) and Qwen3.5-27B (50.6%) leading, followed by Lingshu-32B (43.2%), InternVL3.5-38B (40.7%), and MedGemma-27B (31.8%). Further analysis points to a single-core bottleneck: current models struggle with grounded multi-image reasoning, i.e., reliably extracting, aligning, and composing evidence across views before higher-level inference can help. This is supported by three consistent findings: adding expert-provided single-image cues and integrating cross-image evidence improve performance, whereas replacing them with models’ self-generated intermediates reduces accuracy. Step-level analysis shows that over 70% of errors come from image reading and cross-view integration, with reasoning failures increasing on decisive steps. Scaling results show that while accuracy increases with more images, additional inference-time computation is beneficial only when the underlying visual grounding is already reliable. When early evidence extraction is weak, longer reasoning yields limited or unstable gains and can even amplify misread cues. Together, these results show that the main barrier is not simply insufficient reasoning length or depth, but the lack of reliable mechanisms for grounding, aligning, and composing distributed evidence across real-world, cross-view, multimodal clinical inputs.

Given the prohibitive cost of pre-training large language models, it is essential to leverage smaller proxy models to optimize recipes before scaling up. However, this approach becomes challenging for reasoning capabilities, which exhibit \textit{emergent} behavior that only appears reliably at larger model sizes, often exceeding 7B parameters. To address this, we introduce \tsc{rBridge}, showing that small proxies ($\leq$1B) can effectively predict large-model reasoning by aligning more closely with \textbf{(1)} the pre-training objective and \textbf{(2)} the target task. \tsc{rBridge} achieves this by weighting negative log-likelihood with task alignment, using reasoning traces from frontier models as gold labels. In our experiments, \tsc{rBridge} \textbf{(i)} reduces dataset ranking costs by over 100$\times$ relative to the best baseline, \textbf{(ii)} achieves the strongest correlation across six reasoning benchmarks at 1B to 32B scale, and \textbf{(iii)} transfers predictive relationships across pre-training recipes at 1B to 7B scale. These findings indicate that \tsc{rBridge} offers a practical path for exploring reasoning-oriented pre-training at lower cost.

A persistent paradox in continual learning (CL) is that neural networks often retain linearly separable representations of past tasks even when their output predictions fail. We formalize this distinction as the gap between deep (feature-space) and shallow (classifier-level) forgetting. We reveal a critical asymmetry in Experience Replay: while minimal buffers successfully anchor feature geometry and prevent deep forgetting, mitigating shallow forgetting typically requires substantially larger buffer capacities. To explain this, we extend the Neural Collapse framework to the sequential setting. We characterize deep forgetting as a geometric drift toward out-of-distribution subspaces and prove that any non-zero replay fraction asymptotically guarantees the retention of linear separability. Conversely, we identify that the ``strong collapse'' induced by small buffers leads to rank-deficient covariances and inflated class means, effectively blinding the classifier to true population boundaries. By unifying CL with out-of-distribution detection, our work challenges the prevailing reliance on large buffers, suggesting that explicitly correcting these statistical artifacts could unlock robust performance with minimal replay.

Multimodal Large Language Models (MLLMs) combine the linguistic strengths of LLMs with the ability to process multimodal data, enabling them to address a broader range of tasks. Because MLLMs aim at more general, human-like competence than language-only models, we take inspiration from the Wechsler Intelligence Scales — an established battery for evaluating children by decomposing intelligence into interpretable, testable abilities. Inspired by the Wechsler Intelligence Scales, we introduce KidGym, a comprehensive 2D grid-based benchmark for assessing five essential capabilities of MLLMs: execution, perception reasoning, learning, memory, and planning. The benchmark comprises 12 unique tasks, each targeting at least one core capability, specifically designed to gauge MLLMs' adaptability and developmental potential, mirroring the stages of children's cognitive growth. Additionally, our tasks encompass diverse scenarios and objects with randomly generated layouts, ensuring more accurate and robust evaluation of MLLM capabilities. KidGym is designed to be fully user-customizable and extensible, allowing researchers to create new evaluation scenarios and adjust difficulty levels to accommodate the rapidly growing MLLM community. Through evaluation of state-of-the-art MLLMs using KidGym, we identified significant insights into model capabilities and revealed important limitations of current status. We release our benchmark at: https://kidgym.github.io/KidGym-Website/.

The rapid growth of large language models (LLMs) has heightened the importance of post-training quantization (PTQ) for reducing memory and computation costs. Among PTQ methods, GPTQ has gained significant attention for its efficiency, enabling billion-scale LLMs to be quantized within a few GPU hours. However, GPTQ's assumption of layer-wise independence leads to severe accuracy drops in low-bit regimes. Recently, BoA improved upon GPTQ by incorporating inter-layer dependencies within attention modules, but its reliance on sequential quantization across all out-channels makes it substantially less efficient. In this paper, we propose TurboBoA, a new backpropagation-free PTQ algorithm that preserves the accuracy benefits of BoA while significantly accelerating the process. The proposed TurboBoA introduces three key innovations: (i) joint quantization of multiple out-channels with a closed-form error compensation rule, which reduces sequential bottlenecks and yields more than a three-fold speedup; (ii) a correction mechanism for errors propagated from preceding quantized layers; and (iii) adaptive grid computation with coordinate descent refinement to maintain alignment during iterative updates. Extensive experiments demonstrate that TurboBoA delivers substantial acceleration over BoA while consistently improving accuracy. When combined with outlier suppression techniques, it achieves state-of-the-art results in both weight-only and weight-activation quantization. The code will be available at https://github.com/SamsungLabs/TurboBoA.

Prevalent retrieval-based tool-use pipelines struggle with a dual semantic challenge: their retrievers often employ encoders that fail to capture complex semantics, while the Large Language Model (LLM) itself lacks intrinsic tool knowledge from its natural language pretraining. Generative methods offer a powerful alternative by unifying selection and execution, tasking the LLM to directly learn and generate tool identifiers. However, the common practice of mapping each tool to a unique new token introduces substantial limitations: it creates a scalability and generalization crisis, as the vocabulary size explodes and each tool is assigned a semantically isolated token. This approach also creates a semantic bottleneck that hinders the learning of collaborative tool relationships, as the model must infer them from sparse co-occurrences of monolithic tool IDs within a vast library. To address these limitations, we propose ToolWeaver, a novel generative tool learning framework that encodes tools into hierarchical sequences. This approach makes vocabulary expansion logarithmic to the number of tools. Crucially, it enables the model to learn collaborative patterns from the dense co-occurrence of shared codes, rather than the sparse co-occurrence of monolithic tool IDs. We generate these structured codes through a novel tokenization process designed to weave together a tool's intrinsic semantics with its extrinsic co-usage patterns. These structured codes are then integrated into the LLM through a generative alignment stage, where the model is fine-tuned to produce the hierarchical code sequences. Evaluation results with nearly 47,000 tools show that ToolWeaver significantly outperforms state-of-the-art methods, establishing a more scalable, generalizable, and semantically-aware foundation for advanced tool-augmented agents.

Deep Research (DR) is an emerging agent application that leverages large language models (LLMs) to address open-ended queries. It requires the integration of several capabilities, including multi-step reasoning, cross-document synthesis, and the generation of evidence-backed, long-form answers. Evaluating DR remains challenging because responses are lengthy and diverse, admit many valid solutions, and often depend on dynamic information sources. We introduce ResearchRubrics, a standardized benchmark for DR built with over 2,800+ hours of human labor that pairs realistic, domain-diverse prompts with 2,500+ expert‑written, fine‑grained rubrics to assess factual grounding, reasoning soundness, and clarity. We also propose a new complexity framework for categorizing DR tasks along three axes: conceptual breadth, logical nesting, and exploration. In addition, we develop human and model-based evaluation protocols that measure rubric adherence for DR agents. We evaluate several state‑of‑the‑art DR systems and find that even leading agents like Gemini's DR and OpenAI's DR achieve under 68% average compliance with our rubrics, primarily due to missed implicit context and inadequate reasoning about retrieved information. Our results highlight the need for robust, scalable assessment of deep research capabilities, to which end we release ResearchRubrics (including all prompts, rubrics, and evaluation code) to facilitate progress toward well‑justified research assistants.

Fine-tuning large foundation models is essential for building expert models tailored to specialized tasks and domains, but fully updating billions of parameters is computationally prohibitive. Reducing the number of trainable parameters using Parameter-Efficient Fine-Tuning (PEFT), such as Low-Rank Adaptation (LoRA), is therefore crucial not only to reduce training costs but also to mitigate storage, caching, and serving overheads during deployment. Prior works, such as Singular Vectors-guided Fine-Tuning (SVFT), have shown that exploiting the geometry of pre-trained weights based on Singular Value Decomposition (SVD) can significantly improve parameter-efficiency, but they lack a solid theoretical foundation. In this paper, we introduce Parameter-Efficient Fine-Tuning with Column Space Projection (PiCa), a novel theoretically grounded PEFT method. We prove that projecting gradients onto the principal column space of pre-trained weights provides an effective inductive bias for adaptation and further enhance parameter efficiency through a novel weight-sharing strategy. Across diverse NLP and vision tasks, PiCa consistently outperforms state-of-the-art baselines under comparable or smaller parameter budgets, demonstrating both theoretical rigor and practical effectiveness.

AI systems frequently exhibit and amplify social biases, leading to harmful consequences in critical areas. This study introduces a novel encoder-decoder approach that leverages model gradients to learn a feature neuron encoding societal bias information such as gender, race, and religion. We show that our method can not only identify which weights of a model need to be changed to modify a feature, but even demonstrate that this can be used to rewrite models to debias them while maintaining other capabilities. We demonstrate the effectiveness of our approach across various model architectures and highlight its potential for broader applications.

Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many biological applications such as enzyme engineering and function annotation, a more detailed perspective is essential for understanding protein functional mechanisms and evaluating the biological knowledge captured by models. This study introduces VenusX, the first benchmark designed to assess protein representation learning with a focus on fine-grained intra-protein functional understanding. VenusX comprises three major task categories across six types of annotations, including residue-level binary classification, fragment-level multi-class classification, and pairwise functional similarity scoring for identifying critical active sites, binding sites, conserved sites, motifs, domains, and epitopes. The benchmark features over 878,000 samples curated from major open-source databases such as InterPro, BioLiP, and SAbDab. By providing mixed-family and cross-family splits at three sequence identity thresholds, our benchmark enables a comprehensive assessment of model performance on both in-distribution and out-of-distribution scenarios. For baseline evaluation, we assess a diverse set of popular and open-source models, including pre-trained protein language models, sequence-structure hybrids, structure-based methods, and alignment-based techniques. Their performance is reported across all benchmark datasets and evaluation settings using multiple metrics, offering a thorough comparison and a strong foundation for future research. Our code (https://github.com/ai4protein/VenusX), data (https://huggingface.co/collections/AI4Protein/venusx-dataset), and a leaderboard (https://ai4protein.github.io/venusx/) are provided as open-source resources.

Designing 3D ligands that bind to a given protein pocket with high affinity is a fundamental task in Structure-Based Drug Design (SBDD). However, the lack of synthesizability of 3D ligands has been hindering progress toward experimental validation; moreover, computationally evaluating synthesizability is a non-trivial task. In this paper, we first benchmark eight classical synthesizability metrics across 11 SBDD methods. The comparison reveals significant inconsistencies between these metrics, making them impractical and inaccurate criteria for guiding SBDD methods toward synthesizable drug design. Therefore, we propose a simple yet effective SE(3)-invariant \textit{\underline{SYN}thesizability \underline{C}lassifier} (SYNC) to enable better synthesizability estimation in SBDD, which demonstrates superior generalizability and speed compared to existing metrics on five curated datasets. Finally, with SYNC as a plug-and-play module, we establish a synthesizability classifier-driven SBDD paradigm through guided diffusion and Direct Preference Optimization, where highly synthesizable molecules are directly generated without compromising binding affinity. Extensive experiments also demonstrate the effectiveness of SYNC and the advantage of our paradigm in synthesizable SBDD. Code is available at \url{https://github.com/XYxiyang/SYNC}.

Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly in instruction-based molecular optimization, where each data point typically provides only a single optimized reference molecule and no step-by-step optimization trajectory. We reveal that answer-only SFT on the reference molecules collapses reasoning, and RLVR provides sparse feedback under similarity constraints due to the model's lack of effective exploration, which slows learning and limits optimization. To encourage the exploration of new molecules while balancing the exploitation of the reference molecules, we introduce **Re**ference-guided **P**olicy **O**ptimization (RePO), an optimization approach that learns from reference molecules without requiring trajectory data. At each update, RePO samples candidate molecules with their intermediate reasoning trajectories from the model and trains the model using verifiable rewards that measure property satisfaction under similarity constraints in an RL manner. Meanwhile, it applies reference guidance by keeping the policy’s intermediate reasoning trajectory as context and training only the answer in a supervised manner. Together, the RL term promotes exploration, while the guidance term mitigates reward sparsity and stabilizes training by grounding outputs to references when many valid molecular edits exist. Across molecular optimization benchmarks, RePO consistently outperforms SFT and RLVR baselines (e.g., GRPO), achieving improvements on the optimization metric (Success Rate $\times$ Similarity), improving balance across competing objectives, and generalizing better to unseen instruction styles. Our code is publicly available at https://github.com/tmlr-group/RePO.

Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are necessary for functional design. To this end, we present a constrained diffusion framework for structure-guided protein design, ensuring strict adherence to functional requirements while maintaining precise stereochemical and geometric feasibility. The approach integrates proximal feasibility updates with ADMM decomposition into the generative process, scaling effectively to the complex constraint sets of this domain. We evaluate on challenging protein design tasks, including motif scaffolding and vacancy-constrained pocket design, while introducing a novel curated benchmark dataset for motif scaffolding in the PDZ domain. Our approach achieves state-of-the-art, providing perfect satisfaction of bonding and geometric constraints with no degradation in structural diversity.

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

To address the global health threat of antimicrobial resistance, antimicrobial peptides (AMP) are being explored for their potent and promising ability to fight resistant pathogens. While artificial intelligence (AI) is being employed to advance AMP discovery and design, most AMP design models struggle to balance key goals like activity, toxicity, and novelty, using rigid or unclear scoring methods that make results hard to interpret and optimize. As the capabilities of Large Language Models (LLM) advance and evolve swiftly, we turn to AI multi-agent collaboration based on such models (multi-agent LLMs), which show rapidly rising potential in complex scientific design scenarios. Based on this, we introduce $\textbf{MAC-AMP}$, a closed-loop multi-agent collaboration (MAC) system for multi-objective AMP design. The system implements a fully autonomous simulated peer review-adaptive reinforcement learning framework that requires only a task description and example dataset to design novel AMPs. The novelty of our work lies in introducing a closed-loop multi-agent system for AMP design, with cross-domain transferability, that supports multi-objective optimization while remaining explainable rather than a 'black box'. Experiments show that MAC-AMP outperforms other AMP generative models by effectively optimizing AMP generation for multiple key molecular properties, demonstrating exceptional results in antibacterial activity, AMP likeliness, toxicity compliance, and structural reliability.

Molecular dynamics (MD) simulations underpin modern computational drug discovery, materials science, and biochemistry. Recent machine learning models provide high-fidelity MD predictions without the need for repeated quantum-mechanical force calculations, enabling significant speedups over conventional pipelines. Yet many such methods typically enforce strict equivariance and rely on sequential rollouts, thus limiting their flexibility and simulation efficiency. They are also commonly single-task, trained on individual molecules and fixed time frames, which restricts generalization to unseen compounds and extended timesteps. To address these issues, we propose Atomistic Transformer Operator for Molecules (ATOM), a pretrained transformer neural operator for multi-task molecular dynamics. ATOM adopts a quasi-equivariant design that does not require an explicit molecular graph and employs a temporal attention mechanism to enable accurate, parallel decoding of multiple future states. To support operator pretraining across chemicals and timescales, we curate TG80, a large, diverse, and numerically stable MD dataset with over 2.5 million femtoseconds of trajectories across 80 compounds. ATOM achieves state-of-the-art performance on established single-task benchmarks, such as MD17, RMD17, and MD22. After multi-task pretraining on TG80, ATOM shows exceptional zero-shot and robust generalization to unseen molecules across varying time horizons. We believe ATOM represents a significant step toward accurate, efficient, and transferable molecular dynamics models.

Motif scaffolding in protein design involves generating complete protein structures while preserving the 3D geometry of designated structural fragments, analogous to image outpainting in computer vision. Current benchmarks focus on functional motifs, leaving general geometric preservation capabilities largely untested. We introduce GeomMotif, a systematic benchmark that evaluates arbitrary structural fragment preservation without requiring functional specificity. We construct 57 benchmark tasks, each containing one or two motifs with up to 7 continuous fragments, by sampling from the Protein Data Bank (PDB) to ensure a ground-truth, solvable conformation for every problem. The tasks are characterized by comprehensive structural and physicochemical properties: size, geometric context, secondary structure, hydrophobicity, charge, and degree of burial. These features enable detailed performance analysis beyond simple success rates, revealing model-specific strengths and limitations. We evaluate models using scRMSD and pLDDT for geometric fidelity and clustering for structural diversity and novelty. Our results show that sequence-based and structure-based approaches find different tasks challenging, and that geometric preservation varies significantly with structural and physicochemical context. GeomMotif provides insights complementary to function-focused benchmarks and establishes a foundation for improving protein generative models.

Symmetry-aware methods for machine learning, such as data augmentation and equivariant architectures, encourage correct model behavior on all transformations (e.g. rotations or permutations) of the original dataset. These methods can improve generalization and sample efficiency, under the assumption that the transformed datapoints are highly probable, or "important", under the test distribution. In this work, we develop a method for critically evaluating this assumption. In particular, we propose a metric to quantify the amount of symmetry breaking in a dataset, via a two-sample classifier test that distinguishes between the original dataset and its randomly augmented equivalent. We validate our metric on synthetic datasets, and then use it to uncover surprisingly high degrees of symmetry-breaking in several benchmark point cloud datasets, constituting a severe form of dataset bias. We show theoretically that distributional symmetry-breaking can prevent invariant methods from performing optimally even when the underlying labels are truly invariant, for invariant ridge regression in the infinite feature limit. Empirically, the implication for symmetry-aware methods is dataset-dependent: equivariant methods still impart benefits on some symmetry-biased datasets, but not others, particularly when the symmetry bias is predictive of the labels. Overall, these findings suggest that understanding equivariance — both when it works, and why — may require rethinking symmetry biases in the data.

Generative models have recently advanced $\textit{de novo}$ protein design by learning the statistical regularities of natural structures. However, current approaches face three key limitations: (1) Existing methods cannot jointly learn protein geometry and design tasks, where pretraining can be a solution; (2) Current pretraining methods mostly rely on local, non-rigid atomic representations for property prediction downstream tasks, limiting global geometric understanding for protein generation tasks; and (3) Existing approaches have yet to effectively model the rich dynamic and conformational information of protein structures. To overcome these issues, we introduce $\textbf{RigidSSL}$ ($\textit{Rigidity-Aware Self-Supervised Learning}$), a geometric pretraining framework that front-loads geometry learning prior to generative finetuning. Phase I (RigidSSL-Perturb) learns geometric priors from 432K structures from the AlphaFold Protein Structure Database with simulated perturbations. Phase II (RigidSSL-MD) refines these representations on 1.3K molecular dynamics trajectories to capture physically realistic transitions. Underpinning both phases is a bi-directional, rigidity-aware flow matching objective that jointly optimizes translational and rotational dynamics to maximize mutual information between conformations. Empirically, RigidSSL variants improve designability by up to 43\% while enhancing novelty and diversity in unconditional generation. Furthermore, RigidSSL-Perturb improves the success rate by 5.8\% in zero-shot motif scaffolding and RigidSSL-MD captures more biophysically realistic conformational ensembles in G protein-coupled receptor modeling. The code is available at: https://github.com/ZhanghanNi/RigidSSL.git.

Gaussian Probability Path based Generative Models (GPPGMs) generate data by reversing a stochastic process that progressively corrupts samples with Gaussian noise. Despite state-of-the-art results in 3D molecular generation, their deployment is hindered by the high cost of long generative trajectories, often requiring hundreds to thousands of steps during training and sampling. In this work, we propose a principled method, named GAGA, to improve generation efficiency without sacrificing training granularity or inference fidelity of GPPGMs. Our key insight is that different data modalities obtain sufficient Gaussianity at markedly different steps during the forward process. Based on this observation, we analytically identify a characteristic step at which molecular data attains sufficient Gaussianity, after which the trajectory can be replaced by a closed-form Gaussian approximation. Unlike existing accelerators that coarsen or reformulate trajectories, our approach preserves full-resolution learning dynamics while avoiding redundant transport through truncated distributional states. Experiments on 3D molecular generation benchmarks demonstrate that our GAGA achieves substantial improvement on both generation quality and computational efficiency.

Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of accompanying data in the Hamiltonian matrix $\mathbf{H}$ behind these datasets has so far gone unused for this purpose. Here, we provide a recipe for integrating the orbital interaction data within $\mathbf{H}$ towards training pipelines for atomic-level properties. We first introduce HELM ('Hamiltonian-trained Electronic-structure Learning for Molecules'), a state-of-the-art Hamiltonian prediction model which bridges the gap between Hamiltonian prediction and universal MLIPs by scaling to $\mathbf{H}$ of structures with 100+ atoms, high elemental diversity, and large basis sets including diffuse functions. To accompany HELM, we release a curated Hamiltonian matrix dataset, 'OMol\_CSH\_58k', with unprecedented elemental diversity (58 elements), molecular size (up to 150 atoms), and basis set (def2-TZVPD). Finally, we introduce 'Hamiltonian pretraining' as a method to extract meaningful descriptors of atomic environments even from a limited number atomic structures, and repurpose this shared embedding space to improve performance on energy-prediction in low-data regimes. Our results highlight the use of electronic interactions as a rich and transferable data source for representing chemical space.

We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world applications often demand more than high-fidelity generation, requiring optimization with respect to potentially non-differentiable reward functions such as physics-based simulation or rewards based on scientific knowledge. Although RL methods have been explored to fine-tune diffusion models for such objectives, they often suffer from instability, low sample efficiency, and mode collapse due to their on-policy nature. In this work, we propose an iterative distillation-based fine-tuning framework that enables diffusion models to optimize for arbitrary reward functions. Our method casts the problem as policy distillation: it collects off-policy data during the roll-in phase, simulates reward-based soft-optimal policies during roll-out, and updates the model by minimizing the KL divergence between the simulated soft-optimal policy and the current model policy. Our off-policy formulation, combined with KL divergence minimization, enhances training stability and sample efficiency compared to existing RL-based methods. Empirical results demonstrate the effectiveness and superior reward optimization of our approach across diverse tasks in protein, small molecule, and regulatory DNA design.

A significant portion of disease-relevant proteins remain undruggable due to shallow, flexible, or otherwise ill-defined binding pockets that hinder conventional molecule screening. Fragment-based drug discovery (FBDD) offers a promising alternative, as small, low-complexity fragments can flexibly engage shallow, transient, or cryptic binding pockets that are often inaccessible to conventional drug-like molecules. However, fragment screening remains difficult due to weak binding signals, limited experimental throughput, and a lack of computational tools tailored for this setting. In this work, we introduce FragBench, the first benchmark for fragment-level virtual screening on undruggable targets. We construct a high-quality dataset through multi-agent LLM–human collaboration and interaction-based fragment labeling. To address the core modeling challenge, we propose a novel tri-modal contrastive learning framework FragCLIP that jointly encodes fragments, full molecules, and protein pockets. Our method significantly outperforms baselines like docking software and other ML based methods. Moreover, we demonstrate that retrieved fragments can be effectively expanded or linked into larger compounds with improved predicted binding affinity, supporting their utility as viable starting points for drug design.

Molecular dynamics (MD) simulations are essential tools in computational chemistry and drug discovery, offering crucial insights into dynamic molecular behavior. However, their utility is significantly limited by substantial computational costs, which severely restrict accessible timescales for many biologically relevant processes. Despite the encouraging performance of existing machine learning (ML) methods, they struggle to generate extended biomolecular system trajectories, primarily due to the lack of MD datasets and the large computational demands of modeling long historical trajectories. Here, we introduce BioMD, the first all-atom generative model to simulate long-timescale protein-ligand dynamics using a hierarchical framework of forecasting and interpolation. We demonstrate the effectiveness and versatility of BioMD on the DD-13M (ligand unbinding) and MISATO datasets. For both datasets, BioMD generates highly realistic conformations, showing high physical plausibility and low reconstruction errors. Besides, BioMD successfully generates ligand unbinding paths for 97.1% of the protein-ligand systems within ten attempts, demonstrating its ability to explore critical unbinding pathways. Collectively, these results establish BioMD as a tool for simulating complex biomolecular processes, offering broad applicability for computational chemistry and drug discovery.

Simulating the long-timescale dynamics of biomolecules is a central challenge in computational science. While enhanced sampling methods can accelerate these simulations, they rely on pre-defined collective variables that are often difficult to identify, restricting their ability to model complex switching mechanisms between metastable states. A recent generative model, LD-FPG, demonstrated that this problem could be bypassed by learning to sample the static equilibrium ensemble as all-atom deformations from a reference structure, establishing a powerful method for all-atom ensemble generation. However, while this approach successfully captures a system's probable conformations, it does not model the temporal evolution between them. We introduce the Graph Latent Dynamics Propagator (GLDP), a modular component for simulating dynamics within the learned latent space of LD-FPG. We then compare three classes of propagators: (i) score-guided Langevin dynamics, (ii) Koopman-based linear operators, and (iii) autoregressive neural networks. Within a unified encoder–propagator–decoder framework, we evaluate long-horizon stability, backbone and side-chain ensemble fidelity, and temporal kinetics via TICA. Benchmarks on systems ranging from small peptides to mixed-topology proteins and large GPCRs reveal that autoregressive neural networks deliver the most robust long rollouts and coherent physical timescales; score-guided Langevin best recovers side-chain thermodynamics when the score is well learned; and Koopman provides an interpretable, lightweight baseline that tends to damp fluctuations. These results clarify the trade-offs among propagators and offer practical guidance for latent-space simulators of all-atom protein dynamics.

Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for molecular sampling because they are often slower than molecular dynamics and miss thermodynamically relevant modes. Inspired by enhanced sampling, we encourage exploration by introducing a sequential bias along bespoke, information-rich, low-dimensional projections of atomic coordinates known as collective variables (CVs). We introduce a repulsive potential centered on the CVs from recent samples, which pushes future samples towards novel CV regions and effectively increases the temperature in the projected space. Our resulting method improves efficiency, mode discovery, enables the estimation of free energy differences, and retains independent sampling from the approximate Boltzmann distribution via reweighting by the bias. On standard peptide conformational sampling benchmarks, the method recovers diverse conformational states and accurate free energy profiles. We are the first to demonstrate reactive sampling using a diffusion-based sampler, capturing bond breaking and formation with universal interatomic potentials at near-first-principles accuracy. The approach resolves reactive energy landscapes at a fraction of the wall-clock time of standard sampling methods, advancing diffusion-based sampling towards practical use in molecular sciences.

We aim to learn wavefunctions simulated by time-dependent density functional theory (TDDFT), which can be efficiently represented as linear combination coefficients of atomic orbitals. In real-time TDDFT, the electronic wavefunctions of a molecule evolve over time in response to an external excitation, enabling first-principles predictions of physical properties such as optical absorption, electron dynamics, and high-order response. However, conventional real-time TDDFT relies on time-consuming propagation of all occupied states with fine time steps. In this work, we propose OrbEvo, which is based on an equivariant graph transformer architecture and learns to evolve the full electronic wavefunction coefficients across time steps. First, to account for external field, we design an equivariant conditioning to encode both strength and direction of external electric field and break the symmetry from SO(3) to SO(2). Furthermore, we design two OrbEvo models, OrbEvo-WF and OrbEvo-DM, using wavefunction pooling and density matrix as interaction method, respectively. Motivated by the central role of the density functional in TDDFT, OrbEvo-DM encodes the density matrix aggregated from all occupied electronic states into feature vectors via tensor contraction, providing a more intuitive approach to learn the time evolution operator. We adopt a training strategy specifically tailored to limit the error accumulation of time-dependent wavefunctions over autoregressive rollout. To evaluate our approach, we generate TDDFT datasets consisting of 5,000 different molecules in the QM9 dataset and 1,500 molecular configurations of the malonaldehyde molecule in the MD17 dataset. Results show that our OrbEvo model accurately captures quantum dynamics of excited states under external field, including time-dependent wavefunctions, time-dependent dipole moment, and optical absorption spectra characterized by dipole oscillator strength. It also shows strong generalization capability on the diverse molecules in the QM9 dataset. Our dataset is available at https://huggingface.co/divelab, and our code is available as part of the AIRS library https://github.com/divelab/AIRS/.

Protein-protein interaction (PPI) represents a central challenge within the biology field, and accurately predicting the consequences of mutations in this context is crucial for drug design and protein engineering. Deep learning (DL) has shown promise in forecasting the effects of such mutations but is hindered by two primary constraints. First, the structures of mutant proteins are often elusive to acquire. Secondly, PPI takes place dynamically, which is rarely integrated into the DL architecture design. To address these obstacles, we present a novel framework named Refine-PPI with two key enhancements. First, we introduce a structure refinement module trained by a mask mutation modeling (MMM) task on available wild-type structures, which is then transferred to hallucinate the inaccessible mutant structures. Second, we employ a new kind of geometric network, called the probability density cloud network (PDC-Net), to capture 3D dynamic variations and encode the atomic uncertainty associated with PPI. Comprehensive experiments on SKEMPI.v2 substantiate the superiority of Refine-PPI over all existing tools for predicting free energy change. These findings underscore the effectiveness of our hallucination strategy and the PDC module in addressing the absence of mutant protein structure and modeling geometric uncertainty.

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built upon selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and up to 30% and 16% improvements on protein downstream tasks compared to Transformer-based ESM-2 when trained with 100B and 1T tokens, respectively. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g., structured state space models) in learning universal protein representations and incorporating molecular interaction contexts contained in biological graphs. Model is available at github.com/amazon-science/LC-PLM.

Accurate forecasting of extreme weather events such as heavy rainfall or storms is critical for risk management and disaster mitigation. Although high-resolution radar observations have spurred extensive research on nowcasting models, precipitation nowcasting remains particularly challenging due to pronounced spatial locality, intricate fine-scale rainfall structures, and variability in forecasting horizons. While recent diffusion-based generative ensembles show promising results, they are computationally expensive and unsuitable for real-time applications. In contrast, deterministic models are computationally efficient but remain biased toward normal rainfall. Furthermore, the benchmark datasets commonly used in prior studies are themselves skewed--either dominated by ordinary rainfall events or restricted to extreme rainfall episodes--thereby hindering general applicability in real-world settings. In this paper, we propose exPreCast, an efficient deterministic framework for generating finely detailed radar forecasts, and introduce a newly constructed balanced radar dataset from the Korea Meteorological Administration (KMA), which encompasses both ordinary precipitation and extreme events. Our model integrates local spatiotemporal attention, a texture-preserving cubic dual upsampling decoder, and a temporal extractor to flexibly adjust forecasting horizons. Experiments on established benchmarks (SEVIR and MeteoNet) as well as on the balanced KMA dataset demonstrate that our approach achieves state-of-the-art performance, delivering accurate and reliable nowcasts across both normal and extreme rainfall regimes.

Super-resolving climate data is crucial for fine-grained decision-making in various domains, ranging from agriculture to environmental conservation. However, existing super-resolution approaches struggle to generate the high-frequency spatial information present in climate data, especially over regions showing complex terrain variability. A key obstacle lies in a frequency bias existing in both deep neural networks (DNNs) and climate data: DNNs exhibit such bias by overfitting to low-frequency information, which is further exacerbated by the prevalence of low-frequency components in climate data (e.g., plains, oceans). As a consequence, geography-dependent high-frequency details are hard to reconstruct from coarse climate inputs with DNNs. To improve the fidelity of climate super-resolution (SR), we introduce GeoFAR: by explicitly encoding climatic patterns at different frequencies, while learning implicit geographical neural representations (i.e., related to location and elevation), our approach provides frequency-aware and geography-informed representations for climate SR, thereby reconstructing fine-grained climate information at high resolution. Experiments show that GeoFAR is a model-agnostic approach that can mitigate high-frequency prediction errors in both deterministic and generative SR models, demonstrating state-of-the-art performance across various spatial resolutions, atmospheric variables, and downscaling ratios. Datasets and code are available at https://eceo-epfl.github.io/GeoFAR/.

Pan-cancer screening in large-scale CT scans remains challenging for existing AI methods, primarily due to the difficulty of localizing diverse types of tiny lesions in large CT volumes. The extreme foreground-background imbalance significantly hinders models from focusing on diseased regions, while redundant focus on healthy regions not only decreases the efficiency but also increases false positives. Inspired by radiologists' glance and focus diagnostic strategy, we introduce GF-Screen, a Glance and Focus reinforcement learning framework for pan-cancer screening. GF-Screen employs a Glance model to localize the diseased regions and a Focus model to precisely segment the lesions, where segmentation results of the Focus model are leveraged to reward the Glance model via Reinforcement Learning (RL). Specifically, the Glance model crops a group of sub-volumes from the entire CT volume and learns to select the sub-volumes with lesions for the Focus model to segment. Given that the selecting operation is non-differentiable for segmentation training, we propose to employ the segmentation results to reward the Glance model. To optimize the Glance model, we introduce a novel group relative learning paradigm, which employs group relative comparison to prioritize high-advantage predictions and discard low-advantage predictions within sub-volume groups, not only improving efficiency but also reducing false positives. In this way, for the first time, we effectively extend cutting-edge RL techniques to tackle the specific challenges in pan-cancer screening. We conduct training and validation on a large-scale pan-cancer dataset comprising 5,117 CT scans. Extensive experiments on 16 internal and 7 external datasets across 9 lesion types demonstrated the effectiveness of GF-Screen. Notably, GF-Screen leads the public validation leaderboard of MICCAI FLARE25 pan-cancer challenge, surpassing the FLARE24 champion solution by a large margin (+25.6% DSC and +28.2% NSD). In addition, through discarding redundant regions, GF-Screen reduces the computation costs by 5.7 times, significantly improving inference efficiency. The superior performance of GF-Screen remarks a novel and practical breakthrough in pan-cancer screening. Code is available at https://github.com/Luffy03/GF-Screen.

Computed Tomography (CT) is one of the most widely used and diagnostically information-dense imaging modalities, covering critical organs such as the heart, lungs, liver, and colon. Clinical interpretation relies on both slice-driven local features (e.g., sub-centimeter nodules, lesion boundaries) and volume-driven spatial representations (e.g., tumor infiltration, inter-organ anatomical relations). However, existing Large Vision–Language Models (LVLMs) remain fragmented in CT slice versus volumetric understanding: slice-driven LVLMs show strong generalization but lack cross-slice spatial consistency, while volume-driven LVLMs explicitly capture volumetric semantics but suffer from coarse granularity and poor compatibility with slice inputs. The absence of a unified modeling paradigm constitutes a major bottleneck for the clinical translation of medical LVLMs. We present OmniCT, a powerful unified slice–volume LVLM for CT scenarios, which makes three contributions: (i) Spatial Consistency Enhancement (SCE): volumetric slice composition combined with tri-axial positional embedding that introduces volumetric consistency, and an MoE hybrid projection enables efficient slice–volume adaptation; (ii) Organ-level Semantic Enhancement (OSE): segmentation and ROI localization explicitly align anatomical regions, emphasizing lesion- and organ-level semantics; (iii) MedEval-CT: the largest slice–volume CT dataset and hybrid benchmark integrates comprehensive metrics for unified evaluation. OmniCT consistently outperforms existing methods with a substantial margin across diverse clinical tasks and satisfies both micro-level detail sensitivity and macro-level spatial reasoning. More importantly, it establishes a new paradigm for cross-modal medical imaging understanding. Our project is available at https://github.com/ZJU4HealthCare/OmniCT.

Chromosomes are the carriers of genetic information. Further understanding their 3D structure can help reveal gene-regulatory mechanisms and cellular functions. However, high-resolution 3D structures are often missing due to the high cost and inherent noise of experimental screening. A standard pipeline for reconstructing the chromosome 3D structure first applies the single-cell Hi-C high-throughput screening method to measure pairwise interactions between DNA fragments at different resolutions; then it adopts computational methods to reconstruct the 3D structures from these contacts. These include traditional numerical methods and deep learning models, which struggle with limited model expressiveness and poor generalization across resolutions. To handle this issue, we propose InertialGenome, a novel transformer-based framework for robust and resolution-agnostic chromosome reconstruction. InertialGenome first adopts the inertial frame for the pose canonicalization. Then, based on such an invariant pose, it proposes a Transformer with geometry-aware positional encoding, leveraging Nyström estimation. To verify the effectiveness of InertialGenome, we conduct experiments on two single-cell 3D reconstruction datasets with four resolutions, reaching superior performance over all four computational baselines. Additionally, we observe that the 3D structure reconstructed by InertialGenome is more in line with the results of real experimental results on two functional verification tasks. Finally, we leverage InertialGenome for cross-resolution transfer learning, yielding up to a 5\% improvement from low to high resolution. The source code is available at https://github.com/yize1203/InertialGenome.

Large visual language models (VLMs) have shown strong multi-modal medical reasoning ability, but most operate as end-to-end black boxes, diverging from clinicians’ evidence-based, staged workflows and hindering clinical accountability. Complementarily, expert visual grounding models can accurately localize regions of interest (ROIs), providing explicit, reliable evidence that improves both reasoning accuracy and trust. In this paper, we introduce CARE, advancing Clinical Accountability in multi-modal medical Reasoning with an Evidence-grounded agentic framework. Unlike existing approaches that couple grounding and reasoning within a single generalist model, CARE decomposes the task into coordinated sub-modules to reduce shortcut learning and hallucination: a compact VLM proposes relevant medical entities; an expert entity-referring segmentation model produces pixel-level ROI evidence; and a grounded VLM reasons over the full image augmented by ROI hints. The VLMs are optimized with reinforcement learning with verifiable rewards to align answers with supporting evidence. Furthermore, a VLM coordinator plans tool invocation and reviews evidence-answer consistency, providing agentic control and final verification. Evaluated on standard medical VQA benchmarks, our CARE-Flow (coordinator-free) improves average accuracy by 10.9% over the same size (10B) state-of-the-art (SOTA). With dynamic planning and answer review, our CARE-Coord yields a further gain, outperforming the heavily pre-trained SOTA by 5.2%. Our experiments demonstrate that an agentic framework that emulates clinical workflows, incorporating decoupled specialized models and explicit evidence, yields more accurate and accountable medical AI.

Ambivalence and hesitancy (A/H), closely related constructs, are the primary reasons why individuals delay, avoid, or abandon health behaviour changes. They are subtle and conflicting emotions that sets a person in a state between positive and negative orientations, or between acceptance and refusal to do something. They manifest as a discord in affect between multiple modalities or within a modality, such as facial and vocal expressions, and body language. Although experts can be trained to recognize A/H as done for in-person interactions, integrating them into digital health interventions is costly and less effective. Automatic A/H recognition is therefore critical for the personalization and cost-effectiveness of digital behaviour change interventions. However, no datasets currently exist for the design of machine learning models to recognize A/H. This paper introduces the Behavioural Ambivalence/Hesitancy (BAH) dataset collected for multimodal recognition of A/H in videos. It contains 1,427 videos with a total duration of 10.60 hours, captured from 300 participants across Canada, answering predefined questions to elicit A/H. It is intended to mirror real-world digital behaviour change interventions delivered online. BAH is annotated by three experts to provide timestamps that indicate where A/H occurs, and frame- and video-level annotations with A/H cues. Video transcripts, cropped and aligned faces, and participant metadata are also provided. Since A and H manifest similarly in practice, we provide a binary annotation indicating the presence or absence of A/H. Additionally, this paper includes benchmarking results using baseline models on BAH for frame- and video-level recognition, zero-shot prediction, and personalization with source-free domain adaptation methods. The limited performance highlights the need for adapted multimodal and spatio-temporal models for A/H recognition. Results obtained with specialized fusion methods are shown to assess the presence of conflicts between modalities, additionally temporal modelling for within-modality conflicts are essential for more discriminant A/H recognition. The data, code, and pretrained weights are publicly available: https://github.com/LIVIAETS/bah-dataset.

The application of large language models (LLMs) in the medical field has garnered significant attention, yet their reasoning capabilities in more specialized domains like anesthesiology remain underexplored. To bridge this gap, we introduce AnesSuite, the first comprehensive dataset suite specifically designed for anesthesiology reasoning in LLMs. The suite features AnesBench, an evaluation benchmark tailored to assess anesthesiology-related reasoning across three levels: factual retrieval (System 1), hybrid reasoning (System 1.x), and complex decision-making (System 2). Alongside this benchmark, the suite includes three training datasets that provide an infrastructure for continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning with verifiable rewards (RLVR). Leveraging this suite, we develop Morpheus, the first baseline model collection for anesthesiology reasoning. Despite undergoing limited training with SFT and group relative policy optimization (GRPO), Morpheus not only achieves substantial improvements in anesthesiology that rival larger-scale models, but also demonstrates enhanced reasoning capabilities across general medical and broad-domain benchmarks. Furthermore, through comprehensive evaluations and experiments, we analyze the key factors influencing anesthesiology reasoning performance, including model characteristics, training strategies and training data. Both AnesSuite and Morpheus will be open-sourced at https://github.com/MiliLab/AnesSuite.

3D medical imaging is in high demand and essential for clinical diagnosis and scientific research. Currently, diffusion models have become an effective tool for medical imaging reconstruction thanks to their ability to learn rich, high‑quality data priors. However, learning the 3D data distribution with diffusion models in medical imaging is challenging, not only due to the difficulties in data collection but also because of the significant computational burden during model training. A common compromise is to train the diffusion model on 2D data priors and reconstruct stacked 2D slices to address 3D medical inverse problems. However, the intrinsic randomness of diffusion sampling causes severe inter‑slice discontinuities of reconstructed 3D volumes. Existing methods often enforce continuity regularizations along the $z$‑axis, which introduces sensitive hyper‑parameters and may lead to over-smoothing results. In this work, we revisit the origin of stochasticity in diffusion sampling and introduce Inter‑Slice Consistent Stochasticity (ISCS), a simple yet effective strategy that encourages inter‑slice consistency during diffusion sampling. Our key idea is to control the consistency of stochastic noise components during diffusion sampling, thereby aligning their sampling trajectories without adding any new loss terms or optimization steps. Importantly, the proposed ISCS is plug‑and‑play and can be dropped into any 2D‑trained diffusion‑based 3D reconstruction pipeline without additional computational cost. Experiments on several medical imaging problems show that our method can effectively improve the performance of medical 3D imaging problems based on 2D diffusion models. Our findings suggest that controlling inter‑slice stochasticity is a principled and practically attractive route toward high‑fidelity 3D medical imaging with 2D diffusion priors. The code is available at: [https://github.com/duchenhe/ISCS](https://github.com/duchenhe/ISCS).

Cross-modal representation learning is fundamental for extracting structured information from multimodal data to enable semantic understanding and reasoning. However, current methods optimize statistical objectives without explicit causal constraints, where nonlinear mappings can introduce spurious dependencies or eliminate critical mediators, leading to representation-induced structural drift that undermines the reliability of causal inference. Therefore, establishing theoretical guarantees for causal invariance in cross-modal representation learning remains a foundational challenge. To this end, we propose Causal Alignment and Representation Learning (CARL), which explicitly embeds causal structure preservation constraints into cross-modal alignment objectives. Specifically, CARL introduces a multi-consistency loss architecture that jointly optimizes conditional independence preservation and information bottleneck regularization to balance cross-modal compression with critical variable retention, ensuring low-density modalities are not masked by high-density reconstruction demands. We further incorporate monotonic alignment consistency loss to establish correspondence between semantic similarity and representation distance through Spearman correlation, and Markov boundary preservation loss to maintain identifiability conditions including backdoor, frontdoor, and instrumental variable criteria in the shared representation space. In synthetic experiments with known causal ground truth, CARL achieves state-of-the-art performance in preserving conditional independence patterns and maintaining causal query identifiability under structural uncertainty. Real-world validation on Human Phenotype Project data reveals that CARL successfully preserves causal structures between fundus vascular representations and cardiovascular events, demonstrating its capacity for reliable cross-modal causal inference in complex biomedical applications.

LLMs are increasingly being used in healthcare. This promises to free physicians from drudgery, enabling better care to be delivered at scale. But the use of LLMs in this space also brings risks; for example, such models may worsen existing biases. How can we spot when LLMs are (spuriously) relying on patient race to inform predictions? In this work we assess the degree to which Sparse Autoencoders (SAEs) can reveal (and control) associations the model has made between race and stigmatizing concepts. We first identify SAE latents in gemma-2 models which appear to correlate with Black individuals. We find that this latent activates on reasonable input sequences (e.g., "African American") but also problematic words like "incarceration". We then show that we can use this latent to "steer" models to generate outputs about Black patients, and further that this can induce problematic associations in model outputs as a result. For example, activating the Black latent increases the risk assigned to the probability that a patient will become "belligerent". We also find that even in this controlled setting in which we causally intervene to manipulate only patient race, elicited CoT reasoning strings do not communicate that race is a factor in the resulting assessments. We evaluate the degree to which such "steering" via latents might be useful for mitigating bias. We find that this offers improvements in simple settings, but is less successful for more realistic and complex clinical tasks.

Clinical decision-making is a dynamic, interactive, and cyclic process where doctors have to repeatedly decide on which clinical action to perform and consider newly uncovered information for diagnosis and treatment. Large Language Models (LLMs) have the potential to support clinicians in this process, however, most applications of LLMs in clinical decision support suffer from one of two limitations: Either they assume the unrealistic scenario of immediate availability of all patient information and do not model the interactive and iterative investigation process, or they restrict themselves to the limited "out-of-the-box" capabilities of large pre-trained models without performing task-specific training. In contrast to this, we propose to model clinical decision-making for diagnosis with a hypothesis-driven uncertainty-aware language agent, LA-CDM, that converges towards a diagnosis via repeatedly requesting and interpreting relevant tests. Using a hybrid training paradigm combining supervised and reinforcement learning, we train LA-CDM with three objectives targeting critical aspects of clinical decision-making: accurate hypothesis generation, hypothesis uncertainty estimation, and efficient decision-making. We evaluate our methodology on MIMIC-CDM, a real-world dataset covering four abdominal diseases containing various clinical tests and show the benefit of explicitly training clinical decision-making for increasing diagnostic performance and efficiency. Our code is available at https://github.com/dharouni/LA-CDM.

Automatic radiology reporting assists radiologists in diagnosing abnormalities in radiology images, where grounding the automatic diagnosis with abnormality locations is important for the report interpretability. However, existing supervised-learning methods could lead to learning the superficial statistical correlations between images and reports, lacking multi-faceted reasoning to critique the relevant regions on which radiologists would focus. Recently, self-critical reasoning has been investigated in test-time scaling approaches to alleviate hallucinations of LLMs with increased time complexity. In this work, we focus on chest X-ray report generation with particular focus on clinical accuracy, where self-critical reasoning is alternatively introduced into the model architecture and their training objective, preferred by the real-time automatic reporting system. In particular, three types of self-critical reasoning are proposed to critique the hypotheses of grounded abnormalities compared to i) alternative abnormalities, ii) alternative patient's X-ray image, and iii) potential false negative abnormalities. To realize this, we propose a novel Radiology Self-Critiquing Reporting (RadSCR) framework, which constructs the abnormality proposals for each localized abnormality region and verify them by the proposed self-critiquing mechanisms accordingly. The critiqued results of the abnormality proposals are then integrated to generate the completed report with interpretable diagnostic process. Our experiments show the state-of-the-art performance achieved by RadSCR in the grounded report generation and diagnosis critiquing, demonstrating its effectiveness in generating the clinically accurate report.

The message passing–readout framework has become the de facto standard of graph neural networks (GNNs) for material property prediction. However, most existing readout functions are built on an atom-decomposable inductive bias, i.e. the material-level property or feature can be reasonably assigned to contributions of individual atoms. This is a strong bias and may not hold for all properties, limiting the application scenarios (e.g. gas adsorption or separation of Metal Organic Frameworks, MOFs). In this work, we propose a region-based decomposition perspective, reformulating material properties as integrals over space and pooling contributions from spatial regions rather than atoms. Specifically, we propose a novel readout function named SpatialRead. SpatialRead introduces additional spatial nodes to represent a voxelized space, transforming the atomic isomorphic graph into a heterogeneous atom–space graph with unidirectional message flow from atoms to spatial nodes. To combine the two types of inductive bias, multimodal methods can be used to fuse the features of atoms the spatial nodes. Such a region-based readout function is especially suited for spatial properties such as gas adsorption capacity, separation ratio. Extensive experiments demonstrate that a simple PaiNN–Transformer-based SpatialRead trained from scratch outperforms state-of-the-art pre-trained foundation models on these special tasks. Our results highlight the importance of designing physically grounded readout functions tailored to the target property. The code and dataset can be found in github https://github.com/nankusa/SpatialRead.

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a differentiable post-training procedure that minimizes weak-form residuals of governing partial differential equations (PDEs), promoting physical consistency and adherence to boundary conditions without distorting the underlying learned distribution. To infer unknown physical inputs, such as source terms, material parameters, or boundary data, we augment the generative process with a learnable latent parameter predictor and propose a joint optimization strategy. The resulting model produces physically valid field solutions alongside plausible estimates of hidden parameters, effectively addressing ill-posed inverse problems in a data-driven yet physics-aware manner. We validate our method on canonical PDE problems, demonstrating improved satisfaction of physical constraints and accurate recovery of latent coefficients. Further, we confirm cross-domain utility through fine-tuning of natural-image models. Our approach bridges generative modelling and scientific inference, opening new avenues for simulation-augmented discovery and data-efficient modelling of physical systems.

Industrial design evaluation often relies on high-fidelity simulations of governing partial differential equations (PDEs). While accurate, these simulations are computationally expensive, making dense exploration of design spaces impractical. Operator learning has emerged as a promising surrogate for high-fidelity physical simulations, enabling fast prediction of partial differential equation (PDE) solutions. However, accuracy of neural operators is largely affected by the amount of training data, which must be generated by expensive numerical solvers. In practical industrial scenarios, there exists large collections of candidate geometries remain unsolved due to the high computation cost. These geometry-only samples contain no physical field labels and are therefore ignored in standard operator learning pipelines. In this work, we propose a general physics-agnostic pretraining framework to exploit this abundant geometric resource to improve the performance of neural operators. Specifically, we pretrain an autoencoder on a self-supervised proxy task to reconstruct geometry (e.g., via occupancy), learning an expressive latent representation without PDE supervision. Neural operators then leverage the pretrained latent embedding to learn more effectively from limited physics labels. An error decomposition analysis is provided to help understand the effectiveness of the physics-agnostic pretraining framework. Across four PDE datasets and three state-of-the-art transformer-based neural operators, our pretraining strategy consistently improves prediction accuracy. These results demonstrate that representations from physics-agnostic pretraining provide a powerful foundation for data-efficient operator learning. The code is publicly available at: https://github.com/zzzwoniu/Physics-agnostic-Operator-Pretraining.git

A core challenge in scientific machine learning, and scientific computing more generally, is modeling continuous phenomena which (in practice) are represented discretely. Machine-learned operators (MLO) have been introduced as a means to achieve this modeling goal, as this class of architecture can perform inference at arbitrary resolution. In this work, we evaluate whether this architectural innovation is sufficient to perform “zero-shot super-resolution,” namely to enable a model to serve inference on higher-resolution data than that on which it was originally trained. We comprehensively evaluate both zero-shot sub-resolution and super-resolution (i.e., multi-resolution) inference in MLOs. We decouple multi-resolution inference into two key behaviors: 1) extrapolation to varying frequency information; and 2) interpolating across varying resolutions. We empirically demonstrate that MLOs fail to do both of these tasks in a zero-shot manner. Consequently, we find MLOs are not able to perform accurate inference at resolutions different from those on which they were trained, and instead they are brittle and susceptible to aliasing. To address these failure modes, we propose a simple, computationally-efficient, and data-driven multi-resolution training protocol that overcomes aliasing and that provides robust multi-resolution generalization.

Parameter shift rules (PSRs) are key techniques for efficient gradient estimation in variational quantum eigensolvers (VQEs). In this paper, we propose their Bayesian variant, where Gaussian processes with appropriate kernels are used to estimate the gradient of the VQE objective. Our Bayesian PSR offers flexible gradient estimation from observations at arbitrary locations with uncertainty information, and reduces to the generalized PSR in special cases. In stochastic gradient descent (SGD), the flexibility of Bayesian PSR allows reuse of observations in previous steps, which accelerates the optimization process. Furthermore, the accessibility to the posterior uncertainty, along with our proposed notion of gradient confident region (GradCoRe), enables us to minimize the observation costs in each SGD step. Our numerical experiments show that the VQE optimization with Bayesian PSR and GradCoRe significantly accelerates SGD, and outperforms the state-of-the-art methods, including sequential minimal optimization.

AI is transforming scientific research by revealing new ways to understand complex physical systems, but its impact remains constrained by the lack of large, high-quality domain-specific datasets. A rich, largely untapped resource lies in non-Hermitian quantum physics, where the energy spectra of crystals form intricate geometries on the complex plane—termed as $\textit{Hamiltonian spectral graphs}$. Despite their significance as fingerprints for electronic behavior, their systematic study has been intractable due to the reliance on manual extraction. To unlock this potential, we introduce $\textbf{Poly2Graph}$ (https://github.com/sarinstein-yan/Poly2Graph): a high-performance, open-source pipeline that automates the mapping of 1-D crystal Hamiltonians to spectral graphs. Using this tool, we present $\textbf{HSG-12M}$ (https://github.com/sarinstein-yan/HSG-12M): a dataset containing 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes, distilled from 177 TB of spectral potential data. Crucially, HSG-12M is the first large-scale dataset of $\textit{spatial multigraphs}$—graphs embedded in a metric space where multiple geometrically distinct trajectories between two nodes are retained as separate edges. This simultaneously addresses a critical gap, as existing graph benchmarks overwhelmingly assume simple, non-spatial edges, discarding vital geometric information. Benchmarks with popular GNNs expose new challenges in learning spatial multi-edges at scale. Beyond its practical utility, we show that spectral graphs serve as universal topological fingerprints of polynomials, vectors, and matrices, forging a new algebra-to-graph link. HSG-12M lays the groundwork for data-driven scientific discovery in condensed matter physics, new opportunities in geometry-aware graph learning and beyond.

Deep learning methods for electronic-structure Hamiltonian prediction have offered significant computational efficiency advantages over traditional density functional theory (DFT), yet the diversity of atomic types, structural patterns, and the high-dimensional complexity of Hamiltonians pose substantial challenges to the generalization performance. In this work, we contribute on both the methodology and dataset sides to advance universal deep learning paradigm for Hamiltonian prediction. On the method side, we propose NextHAM, a neural E(3)-symmetry and expressive correction method for efficient and generalizable materials electronic-structure Hamiltonian prediction. First, we introduce the zeroth-step Hamiltonians, which can be efficiently constructed by the initial charge density of DFT, as informative input descriptors that enable the model to effectively capture prior knowledge of electronic structures. Second, we present a neural Transformer architecture with strict E(3)-symmetry and high non-linear expressiveness for Hamiltonian prediction. Third, we propose a novel training objective to ensure the accuracy performance of Hamiltonians in both real space and reciprocal space, preventing error amplification and the occurrence of ``ghost states'' caused by the large condition number of the overlap matrix. On the dataset side, we curate a broad-coverage large benchmark, namely Materials-HAM-SOC, comprising $17,000$ material structures spanning more than $60$ elements from six rows of the periodic table and explicitly incorporating spin–orbit coupling (SOC) effects, providing high-quality data resources for training and evaluation. Comprehensive experimental results demonstrate that NextHAM achieves excellent accuracy in predicting Hamiltonians and band structures, with spin-off-diagonal blocks reaching the accuracy of sub-$\mu$eV scale. These results establish NextHAM as a universal and highly accurate deep learning model for electronic-structure prediction, delivering DFT-level precision with dramatically improved computational efficiency.

State-of-the-art machine learning models often incorporate prior knowledge or structural information about the task or data distribution. In some tasks, such knowledge may arise from first principles or emerge as simplified, learned functions that distill essential aspects of the data distribution. Model augmentation has emerged as a strategy to leverage this structured knowledge by coupling it with an auxiliary model to improve predictive performance, while preserving the interpretability offered by the simpler component. In this work, we present a new augmentation framework called the Tutor-Pupil scheme, which is designed to enhance both performance and interpretability. The Pupil is a fixed model, structurally designed for the core task, while the Tutor is a more flexible model trained to apply minimal input-level corrections to improve the Pupil’s performance on the modified input. This strict separation of roles enables the Tutor not only to compensate for the Pupil’s limitations but also to act as a diagnostic instrument. By examining the Tutor’s targeted interventions, we can identify failure modes, detect regions where the Pupil struggles to generalize, and uncover residual patterns or higher-order structures in the data not captured by the original model.

It is often possible to perform reduced order modelling by specifying linear subspace which accurately captures the dynamics of the system. This approach becomes especially appealing when linear subspace explicitly depends on parameters of the problem. A practical way to apply such a scheme is to compute subspaces for a selected set of parameters in the computationally demanding offline stage and in the online stage approximate subspace for unknown parameters by interpolation. For realistic problems the space of parameters is high dimensional, which renders classical interpolation strategies infeasible or unreliable. We propose to relax the interpolation problem to regression, introduce several loss functions suitable for subspace data, and use a neural network as an approximation to high-dimensional target function. To further simplify a learning problem we introduce redundancy: in place of predicting subspace of a given dimension we predict larger subspace. We show theoretically that this strategy decreases the complexity of the mapping for elliptic eigenproblems with constant coefficients and makes the mapping smoother for general smooth function on the Grassmann manifold. Empirical results also show that accuracy significantly improves when larger-than-required subspaces are predicted. With the set of numerical illustrations we demonstrate that subspace regression can be useful for a range of tasks including parametric eigenproblems, deflation techniques, relaxation methods, optimal control and solution of parametric partial differential equations.

We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than 520 graduate-level meticulously curated questions covering both representative subfields and foundational theoretical frameworks of condensed matter physics, such as magnetism, superconductivity, strongly correlated systems, etc. To ensure a deep understanding of the problem-solving process,we focus exclusively on calculation problems, requiring LLMs to independently generate comprehensive solutions. Meanwhile, leveraging tree-based representations of expressions, we introduce the Scalable Expression Edit Distance (SEED) score, which provides fine-grained (non-binary) partial credit and yields a more accurate assessment of similarity between prediction and ground-truth. Our results show that even the best models, Grok-4, reach only 36 average SEED score and 29% accuracy on CMPhysBench, underscoring a significant capability gap, especially for this practical and frontier domain relative to traditional physics.

Reward is critical to the evaluation and training of large language models (LLMs). However, existing rule-based or model-based reward methods struggle to generalize to GUI agents, where access to ground-truth trajectories or application databases is often unavailable, and static trajectory-based LLM-as-a-Judge approaches suffer from limited accuracy. To address these challenges, we propose ProRe, a proactive reward system that leverages a general-purpose reasoner and domain-specific evaluator agents (actors). The reasoner schedules targeted state probing tasks, which the evaluator agents then execute by actively interacting with the environment to collect additional observations. This enables the reasoner to assign more accurate and verifiable rewards to GUI agents. Empirical results on over 3K trajectories demonstrate that ProRe improves reward accuracy and F1 score by up to 5.3\% and 19.4\%, respectively. Furthermore, integrating ProRe with state-of-the-art policy agents yields a success rate improvement of up to 22.4\%. The source code is available at https://github.com/V-Droid-Agent/ProRe.

Fine-tuning vision-language models (VLMs) on robot teleoperation data to create vision-language-action (VLA) models is a promising paradigm for training generalist policies, but it suffers from a fundamental tradeoff: learning to produce actions often diminishes the VLM's foundational reasoning and multimodal understanding, hindering generalization to novel scenarios, instruction following, and semantic understanding. We argue that this catastrophic forgetting is due to a distribution mismatch between the VLM's internet-scale pretraining corpus and the robotics fine-tuning data. Inspired by this observation, we introduce VLM2VLA: a VLA training paradigm that first resolves this mismatch at the data level by representing low-level actions with natural language. This alignment makes it possible to train VLAs solely with Low-Rank Adaptation (LoRA), thereby minimally modifying the VLM backbone and averting catastrophic forgetting. As a result, the VLM can be fine-tuned on robot teleoperation data without fundamentally altering the underlying architecture and without expensive co-training on internet-scale VLM datasets. Through extensive Visual Question Answering (VQA) studies and over 800 real-world robotics experiments, we demonstrate that VLM2VLA preserves the VLM's core capabilities, enabling zero-shot generalization to novel tasks that require open-world semantic reasoning and multilingual instruction following.

Real-world contact-rich manipulation demands robots to perceive temporal tactile feedback, capture subtle surface deformations, and reason about object properties and force dynamics. Although optical tactile sensors are uniquely capable of providing such rich information, existing tactile datasets and models remain limited. These resources primarily focus on object-level attributes (e.g., material) while largely overlooking fine-grained temporal dynamics. We consider that advancing dynamic tactile perception requires a systematic hierarchy of dynamic perception capabilities to guide both data collection and model design. To address the lack of tactile data with rich dynamic information, we present ToucHD, a large-scale tactile dataset spanning tactile atomic actions, real-world manipulations, and touch-force paired data. Beyond scale, ToucHD establishes a comprehensive dynamic data ecosystem that explicitly supports hierarchical perception capabilities from the data perspective. Building on it, we propose AnyTouch 2, a general tactile representation learning framework for diverse optical tactile sensors that unifies object-level understanding with fine-grained, force-aware dynamic perception. The framework captures both pixel-level and action-specific deformations across frames, while explicitly modeling physical force dynamics, thereby learning multi-level dynamic perception capabilities from the model perspective. We evaluate our model on benchmarks that covers static object properties and dynamic physical attributes, as well as real-world manipulation tasks spanning multiple tiers of dynamic perception capabilities—from basic object-level understanding to force-aware dexterous manipulation. Experimental results demonstrate consistent and strong performance across sensors and tasks, highlighting the framework’s effectiveness as a general dynamic tactile perception model. The code, dataset and model are available at gewu-lab.github.io/AnyTouch2/.

Diffusion policies have emerged as powerful generative models for offline policy learning, whose sampling process can be rigorously characterized by a score function guiding a Stochastic Differential Equation (SDE). However, the same score-based SDE modeling that grants diffusion policies the flexibility to learn diverse behavior also incurs solver and score-matching errors, large data requirements, and inconsistencies in action generation. While less critical in image generation, these inaccuracies compound and lead to failure in continuous control settings. We introduce Contractive Diffusion Policies (CDPs) to induce contractive behavior in the diffusion sampling dynamics. Contraction pulls nearby flows closer to enhance robustness against solver and score-matching errors while reducing unwanted action variance. We develop an in-depth theoretical analysis along with a practical implementation recipe to incorporate CDPs into existing diffusion policy architectures with minimal modification and computational cost. We evaluate CDPs for offline learning by conducting extensive experiments in simulation and real world settings. Across benchmarks, CDPs often outperform baseline policies, with pronounced benefits under data scarcity. Project page: https://contractive-diffusion.github.io

Vision-Language Models (VLMs) have made significant progress in explicit instruction-based navigation; however, their ability to interpret implicit human needs (e.g., ''I am thirsty'') in dynamic urban environments remains underexplored. This paper introduces CitySeeker, a novel benchmark designed to assess VLMs’ spatial reasoning and decision-making capabilities for exploring embodied urban navigation to address implicit needs. CitySeeker includes 6,440 trajectories across 8 cities, capturing diverse visual characteristics and implicit needs in 7 goal-driven scenarios. Extensive experiments reveal that even top-performing models (e.g., Qwen2.5-VL-32B-Instruct) achieve only 21.1% task completion. We find key bottlenecks in error accumulation in long-horizon reasoning, inadequate spatial cognition, and deficient experiential recall. To further analyze them, we investigate a series of exploratory strategies—Backtracking Mechanisms, Enriching Spatial Cognition, and Memory-Based Retrieval (BCR), inspired by human cognitive mapping's emphasis on iterative observation-reasoning cycles and adaptive path optimization. Our analysis provides actionable insights for developing VLMs with robust spatial intelligence required for tackling ''last-mile'' navigation challenges.

Achieving generalizable bimanual manipulation requires systems that can learn efficiently from minimal human input while adapting to real-world uncertainties and diverse embodiments. Existing approaches face a dilemma: imitation policy learning demands extensive demonstrations to cover task variations, while modular methods often lack flexibility in dynamic scenes. We introduce VLBiMan, a framework that derives reusable skills from a single human example through task-aware decomposition, preserving invariant primitives as anchors while dynamically adapting adjustable components via vision-language grounding. This adaptation mechanism resolves scene ambiguities caused by background changes, object repositioning, or visual clutter without policy retraining, leveraging semantic parsing and geometric feasibility constraints. Moreover, the system inherits human-like hybrid control capabilities, enabling mixed synchronous and asynchronous use of both arms. Extensive experiments validate VLBiMan across tool-use and multi-object tasks, demonstrating: (1) a drastic reduction in demonstration requirements compared to imitation baselines, (2) compositional generalization through atomic skill splicing for long-horizon tasks, (3) robustness to novel but semantically similar objects and external disturbances, and (4) strong cross-embodiment transfer, showing that skills learned from human demonstrations can be instantiated on different robotic platforms without retraining. By bridging human priors with vision-language anchored adaptation, our work takes a step toward practical and versatile dual-arm manipulation in unstructured settings.

Learning to control high-speed objects in dynamic environments represents a fundamental challenge in robotics. Table tennis serves as an ideal testbed for advancing robotic capabilities in dynamic environments. This task presents two fundamental challenges: it requires a high-precision vision system capable of accurately predicting ball trajectories under complex dynamics, and it necessitates intelligent control strategies to ensure precise ball striking to target regions. High-speed object manipulation typically demands advanced visual perception hardware capable of capturing rapid motion with exceptional temporal resolution. Drawing inspiration from Kahneman's dual-system theory, where fast intuitive processing complements slower deliberate reasoning, there exists an opportunity to develop more robust perception architectures that can handle high-speed dynamics while maintaining accuracy. To this end, we present \textit{\textbf{SpikePingpong}}, a novel system that integrates spike-based vision with imitation learning for high-precision robotic table tennis. We develop a cognitive-inspired Fast-Slow system architecture where System 1 provides rapid ball detection and preliminary trajectory prediction with millisecond-level responses, while System 2 employs spike-oriented neural calibration for precise hittable position corrections. For strategic ball striking, we introduce Imitation-based Motion Planning And Control Technology, which learns optimal robotic arm striking policies through demonstration-based learning. Experimental results demonstrate that \textit{\textbf{SpikePingpong}} achieves a remarkable 92\% success rate for 30 cm accuracy zones and 70\% in the more challenging 20 cm precision targeting. This work demonstrates the potential of cognitive-inspired architectures for advancing robotic capabilities in time-critical manipulation tasks.

Diffusion Policy has demonstrated strong visuomotor modeling capabilities, but its high computational cost renders it impractical for real-time robotic control. Despite huge redundancy across repetitive denoising steps, existing diffusion acceleration techniques fail to generalize to Diffusion Policy due to fundamental architectural and data divergences. In this paper, we propose Block-wise Adaptive Caching (BAC), a method to accelerate Diffusion Policy by caching intermediate action features. BAC achieves lossless action generation acceleration by adaptively updating and reusing cached features at the block level, based on a key observation that feature similarities exhibit non-uniform temporal dynamics and distinct block-specific patterns. To operationalize this insight, we first design an Adaptive Caching Scheduler to identify optimal update timesteps by maximizing the global feature similarities between cached and skipped features. However, applying this scheduler for each block leads to significant error surges due to the inter-block propagation of caching errors, particularly within Feed-Forward Network (FFN) blocks. To mitigate this issue, we develop the Bubbling Union Algorithm, which truncates these errors by updating the upstream blocks with significant caching errors before downstream FFNs. As a training-free plugin, BAC is readily integrable with existing transformer-based Diffusion Policy and vision-language-action models. Extensive experiments on multiple robotic benchmarks demonstrate that BAC achieves up to 3x inference speedup for free. Project page: https://block-wise-adaptive-caching.github.io.

Vision-Language-Action models (VLAs) have demonstrated remarkable performance in robot control. However, they remain fundamentally limited in tasks that require high precision due to their single-inference paradigm. While test-time scaling approaches using external verifiers have shown promise, they require additional training and fail to generalize to unseen conditions. We propose Masking Distribution Guided Selection (MG-Select), a novel test-time scaling framework for VLAs that leverages the model's internal properties without requiring additional training or external modules. Our approach utilizes KL divergence from a reference action token distribution as a confidence metric for selecting optimal action from multiple candidates. We introduce a reference distribution generated by the same VLA but with randomly masked states and language conditions as inputs, providing action uncertainty while remaining aligned with the target task distribution. Additionally, we propose a joint training strategy that enables the model to learn both conditional and unconditional distributions by applying dropout to state and language conditions, thereby further improving the quality of the reference distribution. Our experiments demonstrate that MG-Select provides a reliable reference for action selection through task-relevant condition masking and consistently improves base models across diverse simulation and real-world benchmarks.

Embodied navigation agents powered by large language models have shown strong performance on individual tasks but struggle to continually acquire new navigation skills, which suffer from catastrophic forgetting. We formalize this challenge as lifelong embodied navigation learning (LENL), where an agent is required to adapt to a sequence of navigation tasks spanning multiple scenes and diverse user instruction styles, while retaining previously learned knowledge. To tackle this problem, we propose Uni-Walker, a lifelong embodied navigation framework that decouples navigation knowledge into task-shared and task-specific components with Decoder Extension LoRA (DE-LoRA). To learn the shared knowledge, we design a knowledge inheritance strategy and an experts co-activation strategy to facilitate shared knowledge transfer and refinement across multiple navigation tasks. To learn the specific knowledge, we propose an expert subspace orthogonality constraint together and a navigation-specific chain-of-thought reasoning mechanism to capture specific knowledge and enhance instruction-style understanding. Extensive experiments demonstrate the superiority of Uni-Walker for building universal embodied navigation agents with lifelong learning. We also provide the code of this work in the Supplementary Materials.

Advances in large vision-language models (VLMs) have stimulated growing interest in vision-language-action (VLA) systems for robot manipulation. However, existing manipulation datasets remain costly to curate, highly embodiment-specific, and insufficient in coverage and diversity, thereby hindering the generalization of VLA models. Recent approaches attempt to mitigate these limitations via a plan-then-execute paradigm, where high-level plans (e.g., subtasks, trace) are first generated and subsequently translated into low-level actions, but they critically rely on extra intermediate supervision, which is largely absent from existing datasets. To bridge this gap, we introduce the RoboInter Manipulation Suite, a unified resource including data, benchmarks, and models of intermediate representations for manipulation. It comprises RoboInter-Tool, a lightweight GUI that enables semi-automatic annotation of diverse representations, and RoboInter-Data, a large-scale dataset containing over 230k episodes across 571 diverse scenes, which provides dense per-frame annotations over more than 10 categories of intermediate representations, substantially exceeding prior work in scale and annotation quality. Building upon this foundation, RoboInter-VQA introduces 9 spatial and 20 temporal embodied VQA categories to systematically benchmark and enhance the embodied reasoning capabilities of VLMs. Meanwhile, RoboInter-VLA offers an integrated plan-then-execute framework, supporting modular and end-to-end VLA variants that bridge high-level planning with low-level execution via intermediate supervision. In total, RoboInter establishes a practical foundation for advancing robust and generalizable robotic learning via fine-grained and diverse intermediate representations.

Aerial Vision-Language Navigation (VLN) seeks to guide UAVs by leveraging language instructions and visual cues, establishing a new paradigm for human-UAV interaction. However, the collection of VLN data demands extensive human effort to construct trajectories and corresponding instructions, hindering the development of large-scale datasets and capable models. To address this problem, we propose OpenFly, a comprehensive platform for aerial VLN. Firstly, OpenFly integrates 4 rendering engines and advanced techniques for diverse environment simulation, including Unreal Engine, GTA V, Google Earth, and 3D Gaussian Splatting (3D GS). Particularly, 3D GS supports real-to-sim rendering, further enhancing the realism of our environments. Secondly, we develop a highly automated toolchain for aerial VLN data collection, streamlining point cloud acquisition, scene semantic segmentation, flight trajectory creation, and instruction generation. Thirdly, based on the toolchain, we construct a large-scale aerial VLN dataset with 100k trajectories, covering samples of diverse scenarios and assets across 18 scenes. Moreover, we propose OpenFly-Agent, a keyframe-aware VLN model emphasizing key observations to promote performance and reduce computations. For benchmarking, extensive experiments and analyses are conducted, where our navigation success rate outperforms others by 14.0\% and 7.9\% on the seen and unseen scenarios, respectively. The toolchain, dataset, and codes will be open-sourced.

Language model (LM)-based embodied agents are increasingly deployed in real-world settings. Yet, their adaptability remains limited in dynamic environments, where constructing accurate and flexible world models is crucial for effective reasoning and decision-making. To address this challenge, we extend the Mixture-of-Experts (MoE) paradigm to embodied agents. While conventional MoE architectures modularize knowledge into expert components with pre-trained routing, they remain rigid once deployed, making them less effective for adapting to unseen domains in dynamic environments. We therefore propose Test-time Mixture of World Models (TMoW), a framework that enhances adaptability to unseen and evolving domains. TMoW updates its routing function over world models at test time, unlike conventional MoE where the function remains fixed, enabling agents to recombine existing models and integrate new ones for continual adaptation. It achieves this through (i) multi-granular prototype-based routing, which adapts mixtures across object- to scene-level similarities, (ii) test-time refinement that aligns unseen domain features with prototypes during inference, and (iii) distilled mixture-based augmentation, which efficiently constructs new models from few-shot data and existing prototypes. We evaluate TMoW on VirtualHome, ALFWorld, and RLBench benchmarks, demonstrating strong performance in both zero-shot adaptation and few-shot expansion scenarios, and showing that it enables embodied agents to operate effectively in dynamic environments.

We present Masked Generative Policy (MGP), a novel framework for visuomotor imitation learning. We represent actions as discrete tokens, and train a conditional masked transformer that generates tokens in parallel and then rapidly refines only low-confidence tokens. We further propose two new sampling paradigms: MGP-Short, which performs parallel masked generation with score-based refinement for Markovian tasks, and MGP-Long, which predicts full trajectories in a single pass and dynamically refines low-confidence action tokens based on new observations. With globally coherent prediction and robust adaptive execution capabilities, MGP-Long enables reliable control on complex and non-Markovian tasks that prior methods struggle with. Extensive evaluations on 150 robotic manipulation tasks spanning the Meta-World and LIBERO benchmarks show that MGP achieves both rapid inference and superior success rates compared to state-of-the-art diffusion and autoregressive policies. Specifically, MGP increases the average success rate by 9\% across 150 tasks while cutting per-sequence inference time by up to 35×. It further improves the average success rate by 60\% in dynamic and missing-observation environments, and solves two non-Markovian scenarios where other state-of-the-art methods fail.

Using Large Language Models to produce intermediate thoughts, a.k.a. Chain-of-thought (CoT), before providing an answer has been a successful recipe for solving complex language tasks. In robotics, similar embodied CoT strategies, generating thoughts before actions, have also been shown to lead to improved performance when using Vision-Language-Action models (VLAs). As these techniques increase the length of the model's generated outputs to include the thoughts, the inference time is negatively affected. Delaying an agent's actions in real-world executions, as in robotic manipulation settings, strongly affects the usability of a method, as tasks require long sequences of actions. However, is the generation of long chains-of-thought a strong prerequisite for achieving performance improvements? In this work, we explore the idea of Hybrid Training (HyT), a framework that enables VLAs to learn from thoughts and benefit from the associated performance gains, while enabling the possibility to leave out CoT generation during inference. Furthermore, by learning to conditionally predict a diverse set of outputs, HyT supports flexibility at inference time, enabling the model to either predict actions directly, generate thoughts or follow instructions. We evaluate the proposed method in a series of simulated benchmarks and real-world experiments.

A central objective of manipulation policy design is to enable robots to comprehend human instructions and predict generalized actions in unstructured environments. Recent autoregressive vision-language-action (VLA) approaches discretize actions into bins to exploit the pretrained reasoning and generation paradigms of vision-language models (VLMs). While these models achieve efficient and scalable training, the discretization undermines the continuity required for precise control. In contrast, diffusion-based VLA methods incorporate an additional diffusion head to predict continuous actions, but they rely solely on feature representations extracted from the VLM, without leveraging the pretrained large language model (LLM) as an expert for iterative action generation. To integrate the complementary strengths of autoregressive and diffusion generation, we introduce HybridVLA, which innovatively leverages a shared LLM backbone to perform iterative action prediction through both paradigms. Specifically, a collaborative training recipe is proposed, incorporating diffusion denoising into the next-token prediction process and mitigating interference between the two generation paradigms. With this recipe, we find these two action prediction methods not only reinforce each other but also exhibit varying strengths across different scenarios. Therefore, we design a collaborative action ensemble mechanism that adaptively fuses both predictions, leading to more robust control. HybridVLA outperforms previous state-of-the-art VLA methods by 17\% and 19\% in mean success rate on simulation and real-world tasks, respectively, while demonstrating generalization to unseen configurations.

Vision–Language–Action (VLA) models show promise in embodied reasoning, yet remain far from true generalists—they often require task-specific fine-tuning, incur high compute costs, and generalize poorly to unseen tasks. We propose MetaVLA, a unified, backbone-agnostic post-training framework for efficient and scalable alignment. MetaVLA introduces Context-Aware Meta Co-Training, which consolidates diverse target tasks into a single fine-tuning stage while leveraging structurally diverse auxiliary tasks to improve in-domain generalization. Unlike naive multi-task SFT, MetaVLA integrates a lightweight meta-learning mechanism—derived from Attentive Neural Processes—to enable rapid adaptation from diverse contexts with minimal architectural change or inference overhead. On the LIBERO benchmark, MetaVLA with six auxiliary tasks outperforms OpenVLA by up to 8.0\% on long-horizon tasks, reduces training steps from 240K to 75K, and cuts GPU time by 76%. These results show that scalable, low-resource post-training is achievable—paving the way toward general-purpose embodied agents. Code will be available.

Recently, the robotics community has amassed ever larger and more diverse datasets to train generalist policies. However, while these policies achieve strong mean performance across a variety of tasks, they often underperform on individual, specialized tasks and require further tuning on newly acquired task-specific data. Combining task-specific data with carefully curated subsets of large prior datasets via co-training can produce better specialized policies, but selecting data naively may actually harm downstream performance. To address this, we introduce DataMIL, a data selection framework built on the datamodels paradigm that reasons about data selection in an end-to-end manner, using the policy itself to identify which data points will most improve performance. Unlike standard practices that filter data using human notions of quality (e.g., based on semantic or visual similarity), DataMIL directly optimizes data selection for task success, allowing us to select data that improves the policy while dropping data that degrade it. To avoid performing expensive rollouts in the environment during selection, we introduce a surrogate loss function on task-specific data, allowing us to use DataMIL in the real world without degrading performance. We validate our approach on 60+ simulation and real-world manipulation tasks, notably showing successful data selection from the largest open collections of robot datasets (OXE); demonstrating consistent gains in success rates over prior works. Our results underscore the importance of end-to-end, performance-aware data selection for unlocking the potential of large prior datasets in robotics.

Mobile manipulators in households must both navigate and manipulate. This requires a compact, semantically rich scene representation that captures where objects are, how they function, and which parts are actionable. Scene graphs are a natural choice, yet prior work often separates spatial and functional relations, treats scenes as static snapshots without object states or temporal updates, and overlooks information most relevant for accomplishing the current task. To overcome these shortcomings, we introduce MomaGraph, a unified scene representation for embodied agents that integrates spatial-functional relationships and part-level interactive elements. However, advancing such a representation requires both suitable data and rigorous evaluation, which have been largely missing. To address this, we construct MomaGraph-Scenes, the first large-scale dataset of richly annotated, task-driven scene graphs in household environments, and design MomaGraph-Bench, a systematic evaluation suite spanning six reasoning capabilities from high-level planning to fine-grained scene understanding. Built upon this foundation, we further develop MomaGraph-R1, a 7B vision–language model trained with reinforcement learning on MomaGraph-Scenes. MomaGraph-R1 predicts task-oriented scene graphs and serves as a zero-shot task planner under a Graph-then-Plan framework. Extensive experiments show that our model achieves state-of-the-art results among open-source models, reaching 71.6% accuracy on the benchmark (+11.4% over the best baseline), while generalizing across public benchmarks and transferring effectively to real-robot experiments. More visualizations and robot demonstrations are available at https://hybridrobotics.github.io/MomaGraph/.

Simulation provides a cost-effective and flexible platform for data generation and policy learning to develop robotic systems. However, bridging the gap between simulation and real-world dynamics remains a significant challenge, especially in physical parameter identification. In this work, we introduce a real-to-sim-to-real engine that leverages the Gaussian Splat representations to build a differentiable engine, enabling object mass identification from real-world visual observations and robot control signals, while enabling grasping policy learning simultaneously. Through optimizing the mass of the manipulated object, our method automatically builds high-fidelity and physically plausible digital twins. Additionally, we propose a novel approach to train force-aware grasping policies from limited data by transferring feasible human demonstrations into simulated robot demonstrations. Through comprehensive experiments, we demonstrate that our engine achieves accurate and robust performance in mass identification across various object geometries and mass values. Those optimized mass values facilitate force-aware policy learning, achieving superior and high performance in object grasping, effectively reducing the sim-to-real gap.

LLMs often reason internally in English even for non-English queries, limiting faithfulness and weakening human oversight in multilingual settings. We study budget alignment: lightweight methods to align a model’s reasoning language with the user’s language under modest data and compute. Using a 7B model, we evaluate multilingual SFT, RL for accuracy recovery, and model merging. Across Japanese, French, and Spanish tasks, these approaches markedly increase language-consistent reasoning while preserving strong accuracy, showing that faithful and interpretable multilingual reasoning can be achieved with low-cost alignment.

Fluid-solid interaction (FSI) problems are fundamental in many scientific and engineering applications, yet effectively capturing the highly nonlinear two-way interactions remains a significant challenge. Most existing deep learning methods are limited to simplified one-way FSI scenarios, often assuming rigid and static solid to reduce complexity. Even in two-way setups, prevailing approaches struggle to capture dynamic, heterogeneous interactions due to the lack of cross-domain awareness. In this paper, we introduce Fisale, a data-driven framework for handling complex two-way FSI problems. It is inspired by classical numerical methods, namely the Arbitrary Lagrangian–Eulerian (ALE) method and the partitioned coupling algorithm. Fisale explicitly models the coupling interface as a distinct component and leverages multiscale latent ALE grids to provide unified, geometry-aware embeddings across domains. A partitioned coupling module (PCM) further decomposes the problem into structured substeps, enabling progressive modeling of nonlinear interdependencies. Compared to existing models, Fisale introduces a more flexible framework that iteratively handles complex dynamics of solid, fluid and their coupling interface on a unified representation, and enables scalable learning of complex two-way FSI behaviors. Experimentally, Fisale excels in three reality-related challenging FSI scenarios, covering 2D, 3D and various tasks. The code is available at https://github.com/therontau0054/Fisale.

Multivariate time series (MTS) anomaly diagnosis, which encompasses both anomaly detection and localization, is critical for the safety and reliability of complex, large-scale real-world systems. The vast majority of existing anomaly diagnosis methods offer limited theoretical insights, especially for anomaly localization, which is a vital but largely unexplored area. The aim of this contribution is to study the learning process of a Transformer when applied to MTS by revealing connections to statistical time series methods. Based on these theoretical insights, we propose the Attention Low-Rank Transformer (ALoRa-T) model, which applies low-rank regularization to self-attention, and we introduce the Attention Low-Rank score, effectively capturing the temporal characteristics of anomalies. Finally, to enable anomaly localization, we propose the ALoRa-Loc method, a novel approach that associates anomalies to specific variables by quantifying interrelationships among time series. Extensive experiments and real data analysis show that the proposed methodology significantly outperforms state-of-the-art methods in both detection and localization tasks. Code is available at: https://github.com/CharisShimillas/ALoRa.

Explaining online time series monitoring models is crucial across sensitive domains such as healthcare and finance, where temporal and contextual prediction dynamics underpin critical decisions. While recent XAI methods have improved the explainability of time series models, they mostly analyze each time step independently, overlooking temporal dependencies. This results in further challenges: explaining prediction changes is non-trivial, methods fail to leverage online dynamics, and evaluation remains difficult. To address these challenges, we propose Delta-XAI, which adapts 14 existing XAI methods through a wrapper function and introduces a principled evaluation suite for the online setting, assessing diverse aspects, such as faithfulness, sufficiency, and coherence. Experiments reveal that classical gradient-based methods, such as Integrated Gradients (IG), can outperform recent approaches when adapted for temporal analysis. Building on this, we propose Shifted Window Integrated Gradients (SWING), which incorporates past observations in the integration path to systematically capture temporal dependencies and mitigate out-of-distribution effects. Extensive experiments consistently demonstrate the effectiveness of SWING across diverse settings with respect to diverse metrics. Our code is publicly available at https://github.com/AITRICS/Delta-XAI.

Forecasting how 3D medical scans evolve along time is important for disease progression, treatment planning, and developmental assessment. Yet existing models either rely on a single prior scan, fixed grid times, or target global labels, which limits voxel-level forecasting under irregular sampling. We present CRONOS, a unified framework for many-to-one prediction from multiple past scans that supports both discrete (grid-based) and continuous (real-valued) timestamps in one model, to the best of our knowledge the first to achieve continuous sequence-to-image forecasting for 3D medical data. CRONOS learns a spatio-temporal velocity field that transports context volumes toward a target volume at an arbitrary time, while operating directly in 3D voxel space. Across three public datasets spanning Cine-MRI, perfusion CT, and longitudinal MRI, CRONOS outperforms other baselines, while remaining computationally competitive. We will release code and evaluation protocols to enable reproducible, multi-dataset benchmarking of multi-context, continuous-time forecasting.

Synthetic time series are vital for data augmentation, stress testing, and prototyping in quantitative finance. Yet in cryptocurrency markets, characterized by 24/7 trading, extreme volatility, and rapid regime shifts, existing Time Series Generation (TSG) methods and benchmarks often fall short, jeopardizing practical utility. Most prior work targets non-financial or traditional financial domains, focuses narrowly on classification and forecasting while neglecting crypto-specific complexities, and lacks critical financial evaluations, particularly for trading applications. To bridge these gaps, we introduce \textbf{CTBench}, the first \textbf{C}ryptocurrency \textbf{T}ime series generation \textbf{Bench}mark. It curates an open-source dataset of 452 tokens and evaluates models across 13 metrics spanning forecasting accuracy, rank fidelity, trading performance, risk assessment, and computational efficiency. A key innovation is a dual-task evaluation framework: the Predictive Utility measures how well synthetic data preserves temporal and cross-sectional patterns for forecasting, while the Statistical Arbitrage assesses whether reconstructed series support mean-reverting signals for trading. We systematically benchmark eight state-of-the-art models from five TSG families across four market regimes, revealing trade-offs between statistical quality and real-world profitability. Notably, CTBench provides ranking analysis and practical guidance for deploying TSG models in crypto analytics and trading applications. The source code is available at \url{https://github.com/MilleXi/CTBench/}.

Despite the flourishing in time series (TS) forecasting backbones, the training mostly relies on regression losses like Mean Square Error (MSE). However, MSE assumes a one-mode Gaussian distribution, which struggles to capture complex patterns, especially for real-world scenarios where multiple diverse outcomes are possible. We propose the Multi-Mode Patch Diffusion (MMPD) loss, which can be applied to any patch-based backbone that outputs latent tokens for the future. Models trained with MMPD loss generate diverse predictions (modes) with the corresponding probabilities. Technically, MMPD loss models the future distribution with a diffusion model conditioned on latent tokens from the backbone. A lightweight Patch Consistent MLP is introduced as the denoising network to ensure consistency across denoised patches. Multi-mode predictions are generated by a multi-mode inference algorithm that fits an evolving variational Gaussian Mixture Model (GMM) during diffusion. Experiments on eight datasets show its superiority in diverse forecasting. Its deterministic and probabilistic capabilities also match the strong competitor losses, MSE and Student-T, respectively. The source code is publicly available at: https://github.com/Thinklab-SJTU/MMPD.

Deployed time-series forecasters suffer performance degradation under non-stationarity and distribution shifts. Test-time adaptation (TTA) for time-series forecasting differs from vision TTA because ground truth becomes observable shortly after prediction. Existing time-series TTA methods typically employ dual input/output adapters that indirectly modify data distributions, making their effect on the frozen model difficult to analyze. We introduce the Context-aware Output-Space Adapter (COSA), a minimal, plug-and-play adapter that directly corrects predictions of a frozen base model. COSA performs residual correction modulated by gating, utilizing the original prediction and a lightweight context vector that summarizes statistics from recently observed ground truth. At test time, only the adapter parameters (linear layer and gating) are updated under a leakage-free protocol, using observed ground truth with an adaptive learning rate schedule for faster adaptation. Across diverse scenarios, COSA demonstrates substantial performance gains versus baselines without TTA (13.91$\sim$17.03\%) and SOTA TTA methods (10.48$\sim$13.05\%), with particularly large improvements at long horizons, while adding a reasonable level of parameters and negligible computational overhead. The simplicity of COSA makes it architecture-agnostic and deployment-friendly. Source code: https://github.com/bigbases/COSA_ICLR2026

Accurate weather forecasting is crucial for climate research, disaster mitigation, and societal planning. Despite recent progress with deep learning, global atmospheric data remain uniquely challenging since weather dynamics evolve across heterogeneous spatial and temporal scales ranging from planetary circulations to localized phenomena. Capturing such cross-scale interactions within a unified framework remains an open problem. To address this gap, we propose \textbf{STORM}, a spatio-temporal model that disentangles atmospheric variations into multiple scales to uncover scale-specific dependencies. In addition, it enables coherent forecasting across multiple resolutions, maintaining consistent temporal evolution. Experiments on benchmark datasets demonstrate that STORM consistently delivers superior performance across both global and regional settings, as well as for short- and long-term forecasts.

Fine-grained time series data with high temporal resolution is critical for accurate analytics across a wide range of applications. However, the acquisition of such data is often limited by cost and feasibility. This problem can be tackled by reconstructing high-resolution signals from low-resolution inputs based on specific priors, known as super-resolution. While extensively studied in computer vision, directly transferring image super-resolution techniques to time series is not trivial. To address this challenge at a fundamental level, we propose Super-Resolution for Time series (SRT), a novel framework that reconstructs temporal patterns lost in low-resolution inputs via disentangled rectified flow. SRT decomposes the input into trend and seasonal components, aligns them to the target resolution using an implicit neural representation, and leverages a novel cross-resolution attention mechanism to guide the generation of high-resolution details. We further introduce SRT-large, a scaled-up version with extensive pretraining, which enables strong zero-shot super-resolution capability. Extensive experiments on nine public datasets demonstrate that SRT and SRT-large consistently outperform existing methods across multiple scale factors, showing both robust performance and the effectiveness of each component in our architecture.

Time series anomaly detection (TSAD) faces critical challenges from intrinsic data noisiness and temporal heterogeneity, which undermine the reconstruction fidelity of prevailing generative approaches. While diffusion models offer theoretical advantages in capturing complex temporal dynamics, their inherent stochasticity introduces irreducible variance in reconstructions. We present the ICDiffAD, a novel method that synergizes adaptive noise scheduling with semi-deterministic generation to address these limitations. ICDiffAD introduces two key innovations: (1) an SNR Scheduler that governs training through quantifiable noise scales, enabling robust learning of normative patterns across non-stationary regimes; and (2) an SNR Implicit Conditioning Mechanism that initializes reverse diffusion from partially corrupted inputs, preserving signal coherence while attenuating anomalous components. This dual strategy ensures high-fidelity reconstructions aligned with the input’s manifold, reconciling generative flexibility with detection accuracy. Across five multivariate benchmarks, ICDiffAD improves the F1 score by 19.57\% and reduces false positives by 60.23\% compared to existing diffusion model-based TSAD methods.

Time series forecasting plays a significant role in finance, energy, meteorology, and IoT applications. Recent studies have leveraged the generalization capabilities of large language models (LLMs) to adapt to time series forecasting, achieving promising performance. However, existing studies focus on token-level modal alignment, instead of bridging the intrinsic modality gap between linguistic knowledge structures and time series data patterns, greatly limiting the semantic representation. To address this issue, we propose a novel Semantic-Enhanced LLM (SE-LLM) that explores the inherent periodicity and anomalous characteristics of time series to embed into the semantic space to enhance the token embedding. This process enhances the interpretability of tokens for LLMs, thereby activating the potential of LLMs for temporal sequence analysis. Moreover, existing Transformer-based LLMs excel at capturing long-range dependencies but are weak at modeling short-term anomalies in time-series data. Hence, we propose a plugin module embedded within self-attention that models long-term and short-term dependencies to effectively adapt LLMs to time-series analysis. Our approach freezes the LLM and reduces the sequence dimensionality of tokens, greatly reducing computational consumption. Experiments demonstrate the superiority performance of our SE-LLM against the state-of-the-art (SOTA) methods.

Recent time-series foundation models exhibit strong abilities to predict physical systems. These abilities include zero-shot forecasting, in which a model forecasts future states of a system given only a short trajectory as context, without knowledge of the underlying physics. Here, we show that foundation models often forecast through a simple parroting strategy, and when they are not parroting they exhibit some shared failure modes such as converging to the mean. As a result, a naive context parroting model that copies directly from the context scores higher than leading time-series foundation models on predicting a diverse range of dynamical systems, including low-dimensional chaos, turbulence, coupled oscillators, and electrocardiograms, at a tiny fraction of the computational cost. We draw a parallel between context parroting and induction heads, which explains recent works showing that large language models can often be repurposed for time series forecasting. Our dynamical systems perspective also ties the scaling between forecast accuracy and context length to the fractal dimension of the underlying chaotic attractor, providing insight into previously observed in-context neural scaling laws. By revealing the performance gaps and failure modes of current time-series foundation models, context parroting can guide the design of future foundation models and help identify in-context learning strategies beyond parroting.

Effectively modeling cross-variate dependencies is a central, yet challenging, task in multivariate time series forecasting. While attention-based methods have advanced the state-of-the-art by capturing global cross-variate dependencies, their quadratic complexity with respect to the number of variates severely limits their scalability. In this work, we challenge the necessity of global dependency modeling. We posit, through both theoretical analysis and empirical evidence, that modeling local cross-variate interactions is not only sufficient but also more efficient for many dense dependency systems. Motivated by this core insight, we propose VPNet, a novel architecture that excels in both accuracy and efficiency. VPNet's design is founded on two key principles: a channelized reinterpretation of patch embeddings into a higher-level variate-patch field, and a specialized VarTCNBlock that operates upon it. Specifically, the model first employs a patch-level autoencoder to extract robust local representations. In a pivotal step, these representations are then re-conceptualized as a 2D field constructed over a "variates × patches" grid. The VarTCNBlock then applies depthwise 2D convolutions across this field to efficiently capture local spatio-temporal patterns (i.e., cross-variate and temporal dependencies simultaneously), followed by pointwise convolutions for feature mixing. This design ensures that the computational complexity scales linearly with the number of variates. Finally, variate-wise prediction heads map the refined historical patch representations to future ones, which are decoded back into the time domain. Extensive experiments demonstrate that VPNet not only achieves state-of-the-art performance across multiple benchmarks but also offers significant efficiency gains, establishing it as a superior and scalable solution for high-dimensional forecasting.

Modern deep learning models often achieve high overall performance, but consistently fail on specific subgroups. Group distributionally robust optimization (group DRO) addresses this problem by minimizing the worst-group loss, but it fails when group losses misrepresent performance differences between groups. This is common in domains like speech, where the widely used connectionist temporal classification (CTC) loss not only scales with input length but also varies with linguistic and acoustic properties, leading to spurious differences between group losses. We present CTC-DRO, which addresses the shortcomings of the group DRO objective by smoothing the group weight update to prevent overemphasis on consistently high-loss groups, while using input length-matched batching to mitigate CTC's scaling issues. We evaluate CTC-DRO on the task of multilingual automatic speech recognition (ASR) across five language sets from the diverse ML-SUPERB 2.0 benchmark. CTC-DRO consistently outperforms group DRO and CTC-based baseline models, reducing the worst-language error by up to 47.1% and the average error by up to 32.9%. CTC-DRO can be applied to ASR with minimal computational costs, and, while motivated by multilingual ASR, offers the potential for reducing group disparities in other domains with similar challenges.

RAG (Retrieval-Augmented Generation) systems and web agents are increasingly evaluated on multi-hop deep search tasks, yet current practice suffers from two major limitations. First, most benchmarks leak the reasoning path in the question text, allowing models to follow surface cues rather than discover reasoning chains autonomously. Second, evaluation is typically reduced to a single pass rate, which collapses diverse behaviors into one score and obscures whether failures stem from inadequate search, poor knowledge use, or inappropriate refusal. To address these issues, we present WebDetective, a benchmark of hint-free multi-hop questions paired with a controlled Wikipedia sandbox that ensures full traceability of model actions, and a holistic evaluation framework that separates search sufficiency, knowledge utilization, and refusal behavior. Our evaluation of 25 state-of-the-art models reveals systematic weaknesses across all architectures: models struggle with knowledge utilization despite having sufficient evidence and demonstrate near-absent appropriate refusal when evidence is lacking. These patterns expose a fundamental gap—today's systems excel at executing given reasoning paths but fail when required to discover them. We develop an agentic workflow EvidenceLoop that explicitly targets the challenges our benchmark identifies, incorporating verification loops and systematic evidence tracking that improve both search and synthesis capabilities. This baseline demonstrates that WebDetective's diagnostic framework can guide concrete architectural improvements, establishing our benchmark as a critical tool for developing genuinely autonomous reasoning systems rather than pattern-following agents.

The interaction process of comprehending user-specific nuances and adapting to their preferences represents a pivotal consideration for Persona Large Language Models, as it more authentically mirrors genuine dialogue dynamics than adherence to general human value alignment. In this paper, we conceptualize this ``Interact to Persona Alignment'' challenge as a Partially Observable Markov Decision Process, abbreviated as PAMDP, wherein the user’s dynamically evolving profile through interaction is treated as an unobservable variable to the assistant. Grounded in this formulation, we propose a dual-critic reinforcement learning framework, with a continuous latent space action representing the assistant’s utterance. We evaluate our approach on both offline datasets and the online simulator, ultimately demonstrating its effectiveness.

Proactive agents must decide not only what to say but also whether and when to intervene. Many current systems rely on brittle heuristics or indiscriminate long reasoning, which offers little control over the benefit-burden tradeoff. We formulate the problem as cost-sensitive selective intervention and present PRISM, a novel framework that couples a decision-theoretic gate with a dual-process reasoning architecture. At inference time, the agent intervenes only when a calibrated probability of user acceptance exceeds a threshold derived from asymmetric costs of missed help and false alarms. Inspired by festina lente (Latin: "make haste slowly"), we gate by an acceptance-calibrated, cost-derived threshold and invoke a resource-intensive Slow mode with counterfactual checks only near the decision boundary, concentrating computation on ambiguous and high-stakes cases. Training uses gate-aligned, schema-locked distillation: a teacher running the full PRISM pipeline provides dense, executable supervision on unlabeled interaction traces, while the student learns a response policy that is explicitly decoupled from the intervention gate to enable tunable and auditable control. On ProactiveBench, PRISM reduces false alarms by 22.78% and improves F1 by 20.14% over strong baselines. These results show that principled decision-theoretic gating, paired with selective slow reasoning and aligned distillation, yields proactive agents that are precise, computationally efficient, and controllable. To facilitate reproducibility, we release our code, models, and resources at https://prism-festinalente.github.io/; all experiments use the open-source ProactiveBench benchmark.

We present Mixture-of-Length (MoL), an approach for Question Answering (QA) with context that aims to improve the balance between reasoning quality and response efficiency. Our method introduces a principled difficulty assessment based on information-theoretic principles and a dual-objective reward mechanism that adaptively modulates response length. In our experiments, MoL exhibits an emergent behavior termed "intelligent brevity": the model tends to produce shorter responses for simpler queries and longer ones for more complex inputs. This property is desirable for human-computer interaction and can reduce inference costs. A post-hoc analysis of internal activations suggests a correlation between this output adaptivity and the effective number of layers that contribute during inference. On multiple QA benchmarks, MoL demonstrates competitive accuracy while substantially reducing tokens compared to baselines, indicating that difficulty-aware length modulation is a promising direction for efficient QA with context.

While humans naturally learn and adapt from past experiences, large language models (LLMs) and their agentic counterparts often fail to retain reasoning from previous tasks and apply it to future contexts. We introduce Log-Augmented Generation (LAG), a novel framework that directly reuses prior computation and reasoning from past logs at test time, enabling models to learn from previous tasks to perform better on new, unseen challenges, without sacrificing efficiency or scalability. Our approach represents task logs as key-value (KV) caches that encode the reasoning context of prior tasks, while storing KV values for only a selected subset of tokens. When a new task arises, LAG retrieves KV values from relevant logs to augment generation. Unlike reflection-based memory mechanisms, which require additional extraction or distillation steps, LAG reuses prior reasoning verbatim. Moreover, it extends beyond existing KV caching techniques, primarily designed for efficiency, by explicitly improving accuracy through log reuse. Experiments on knowledge- and reasoning-intensive datasets demonstrate that our method significantly outperforms standard agentic systems without log utilization, as well as existing approaches based on reflection and KV cache techniques.

While black-box large language models are widely deployed, they produce generic outputs that overlook individual user preferences. Current personalization methods are fundamentally limited to response-level personalization; they only match final outputs, failing to model the underlying reasoning that connects user behavior to responses. To address this, this work introduces reasoning-level personalization as a new paradigm and proposes RPM, the first systematic framework that automatically discovers user-specific reasoning structures from raw behavioral data to guide the model's personalized inference. RPM constructs a structured model of user behavior—built from response-influential features and statistical factors—to create personalized reasoning paths and retrieve beneficial examples for guiding inference through a feature-based retrieval mechanism. Extensive experiments across four diverse tasks demonstrate that RPM consistently outperforms existing response-level methods while simultaneously enhancing both personalization performance and interpretability, providing a promising direction for black-box LLM personalization.

The limited context window of contemporary large language models (LLMs) hinders broader application. In this work, we present SharedLLM, a novel approach grounded in the design philosophy of multi-grained context compression and query-aware information retrieval. SharedLLM is composed of two short-context LLMs: a lower moel (compressor) and an upper model (decoder). The lower model compresses context information, while the upper model processes compressed, context information from the lower model and performs context-aware modeling. Information transfer between the compressor and decoder occurs only at the lowest layers to reduce redundant computation. Based on this architecture, we introduce a specialized tree-style data structure to efficiently encode, store and retrieve multi-grained contextual information from text chunks. This entire process, wherein the sender and receiver are derived from the same LLM layer, is referred to as self-injection. In our evaluation on long-context modeling and understanding tasks, SharedLLM achieves superior or comparable results to several strong baselines, striking an effective balance between efficiency and performance. Meanwhile, with the aforementioned design choices, SharedLLM can greatly reduce memory consumption, and demonstrates substantial speed-ups over other advanced baselines. The core code of our implementation along with training and evaluation is available in appendix and supplementary.

Multimodal large language models (MLLMs) have significantly advanced the integration of visual and textual understanding. However, their ability to generate code from multimodal inputs remains limited. In this work, we introduce VisCodex, a unified framework that seamlessly merges vision and coding language models to empower MLLMs with strong multimodal code generation abilities. Leveraging a task vector-based model merging technique, we integrate a state-of-the-art coding LLM into a strong vision-language backbone, while preserving both visual comprehension and advanced coding skills. To support training and evaluation, we introduce the Multimodal Coding Dataset (MCD), a large-scale and diverse collection of 598k samples, including high-quality HTML code, chart image-code pairs, image-augmented StackOverflow QA, and algorithmic problems. Furthermore, we propose InfiBench-V, a novel and challenging benchmark specifically designed to assess models on visually-rich, real-world programming questions that demand a nuanced understanding of both textual and visual contexts. Extensive experiments show that VisCodex achieves state-of-the-art performance among open-source MLLMs and approaches proprietary models like GPT-4o, highlighting the effectiveness of our model merging strategy and new datasets.

Recent studies on end-to-end (E2E) speech generation with large language models (LLMs) have attracted significant community attention, with multiple works extending text-based LLMs to generate discrete speech tokens. Existing E2E approaches primarily fall into two categories: (1) Methods that generate discrete speech tokens independently without incorporating them into the LLM’s autoregressive process, resulting in text generation being unaware of concurrent speech synthesis. (2) Models that generate interleaved or parallel speech-text tokens through joint autoregressive modeling, enabling mutual modality awareness during generation. This paper presents DrVoice, a parallel speech-text voice conversation model based on joint autoregressive modeling, featuring dual-resolution speech representations. Notably, while current methods utilize mainly 12.5Hz input audio representation, our proposed dual-resolution mechanism reduces the input frequency for the LLM to 5Hz, significantly reducing computational cost and alleviating the frequency discrepancy between speech and text tokens and in turn better exploiting LLMs’ capabilities. Experimental results demonstrate that DrVoice-7B establishes new state-of-the-art (SOTA) on prominent speech benchmarks including OpenAudioBench, VoiceBench, UltraEval-Audio and Big Bench Audio, making it a leading open-source speech foundation model in ∼7B models.

Conversion of spoken mathematical expressions is a challenging task that involves transcribing speech into a strictly structured symbolic representation while addressing the ambiguity inherent in the pronunciation of equations. Although significant progress has been achieved in automatic speech recognition (ASR) and language models (LM), the problem of converting spoken mathematics into LaTeX remains underexplored. This task directly applies to educational and research domains, such as lecture transcription or note creation. Based on ASR post-correction, prior work requires 2 transcriptions, focuses only on isolated equations, has a limited test set, and provides neither training data nor multilingual coverage. To address these issues, we present the first fully open-source large-scale dataset, comprising over 66,000 human-annotated audio samples of mathematical equations and sentences in English and Russian, drawn from diverse scientific domains. In addition to the ASR post-correction models and few-shot prompting, we apply audio language models, demonstrating comparable character error rate (CER) results on the MathSpeech benchmark (28\% vs. 30\%) for the equations conversion. In contrast, on the proposed S2L-equations benchmark, our models outperform the MathSpeech model by a substantial margin of more than 36 percentage points, even after accounting for LaTeX formatting artifacts (27\% vs. 64\%). We establish the first benchmark for mathematical sentence recognition (S2L-sentences) and achieve an equation CER of 40\%. This work lays the groundwork for future advances in multimodal AI, with a particular focus on mathematical content recognition.

Reasoning requires going beyond pattern matching or memorization of solutions to identify and implement algorithmic procedures that can be used to deduce answers to hard problems. Doing so requires reusing primitives, intermediate results, or procedures across multiple problems. While RL post-training on long chains of thought ultimately aims to uncover this kind of algorithmic behavior, the depth-first and brute-force nature of reasoning traces learned by these models suggests that this is far from a fulfilled promise. To address more effective reasoning, we introduce reasoning abstractions: concise natural language descriptions of procedural and factual knowledge that guide the model toward learning successful reasoning. We train models to be capable of proposing several useful abstractions given a problem, followed by RL training that incentivizes building a solution while using the information provided by these abstractions. This results in a two-player RL training paradigm, abbreviated as RLAD, that jointly trains an abstraction generator and an abstraction-conditioned solution generator. This setup effectively enables structured exploration, decouples learning signals of abstraction proposal and solution generation, and improves generalization to harder problems. We also show that spending more test-time compute into generating abstractions is more beneficial for performance than generating more solutions at large inference-time budgets, illustrating the role of abstractions in guiding global exploration.

Bidirectional language models (LMs) consistently show stronger context understanding than unidirectional models, yet the theoretical reason remains unclear. We present a simple information bottleneck (IB) perspective: bidirectional representations preserve more mutual information (MI) about both the input and the target, yielding richer features for downstream tasks. We adopt a layer–wise view and hypothesize that, at comparable capacity, bidirectional layers retain more useful signal than unidirectional ones. To test this claim empirically, we present Flow Neural Information Bottleneck (FlowNIB), a lightweight, post-hoc framework capable of estimating comparable mutual information values for individual layers in LMs, quantifying how much mutual information each layer carries about the input and target. FlowNIB takes three inputs—(i) the original LM’s inputs/dataset, (ii) ground–truth labels, and (iii) layer activations—simultaneously estimates the mutual information for both the input–layer and layer–label pairs. Empirically, bidirectional LM layers exhibit higher mutual information than similar—and even larger—unidirectional LMs. As a result, bidirectional LMs outperform unidirectional LMs across extensive experiments on NLU benchmarks (e.g., GLUE), commonsense reasoning, and regression tasks, demonstrating superior context understanding.

We investigate the challenge of applying Large Language Models (LLMs) to long texts. We propose a theoretical framework that distinguishes the failure modes of long context tasks into three categories: cross-chunk dependence (task noise), confusion that grows with context size (model noise), and the imperfect integration of partial results (aggregator noise). Under this view, we analyze when it is effective to use multi-agent chunking, i.e., dividing a lengthy sequence into smaller chunks and aggregating the processed results of each chunk. Our experiments on tasks such as retrieval, question answering, and summarization confirm both the theoretical analysis and the conditions that favor multi-agent chunking. By exploring the accelerated decay of model fidelity with input length, we also explain why, for large inputs, a weaker model configured with chunk-based processing can surpass a more advanced model like GPT4o applied in a single shot. Overall, we present a principled understanding framework and our results highlight a direct pathway to handling long contexts in LLMs with carefully managed chunking and aggregator strategies.

Recent advances in speech large language models (speech LLMs) have enabled seamless spoken interactions, but these systems still struggle with complex reasoning tasks. Previously, chain-of-thought (CoT) prompting or fine-tuning has been shown to significantly improve the reasoning abilities of text-based LLMs. In this work, we investigate the effect of CoT fine-tuning for multi-stream speech LLMs, demonstrating that reasoning in text space improves the accuracy of speech LLMs by 2.4x, on average, over a suite of spoken reasoning tasks. Beyond accuracy, the latency of the spoken response is a crucial factor for interacting with voice-based agents. Inspired by the human behavior of "thinking while listening," we propose methods to reduce the additional latency from reasoning by allowing the model to start reasoning before the user query has ended. To achieve this, we introduce an entropy-based metric, "question completeness," which acts as an indicator to guide the model on the optimal time to start reasoning. This method provides greater control over the accuracy-latency trade-off compared with heuristic-based approaches and, under equivalent latency conditions, yields a 4% accuracy gain on ARC-Easy. Finally, we use Direct Preference Optimization (DPO) on preference data created using rejection sampling to push the accuracy-latency pareto frontier further, resulting in a 70% reduction in latency without loss in accuracy.

Fine-tuning, a foundational method for adapting large language models, has long been considered ineffective for model editing. Here, we challenge this belief, arguing that the reported failure arises not from the inherent limitation of fine-tuning itself, but from adapting it to the sequential nature of the editing task, a single-pass depth-first pipeline that optimizes each sample to convergence before moving on. While intuitive, this depth-first pipeline coupled with sample-wise updating over-optimizes each edit and induces interference across edits. Our controlled experiments reveal that simply restoring fine-tuning to the standard breadth-first (i.e., epoch-based) pipeline with mini-batch optimization substantially improves its effectiveness for model editing. Moreover, fine-tuning in editing also suffers from suboptimal tuning parameter locations inherited from prior methods. Through systematic analysis of tuning locations, we derive LocFT-BF, a simple and effective localized editing method built on the restored fine-tuning framework. Extensive experiments across diverse LLMs and datasets demonstrate that LocFT-BF outperforms state-of-the-art methods by large margins. Notably, to our knowledge, it is the first to sustain 100K edits and 72B-parameter models,10 $\times$ beyond prior practice, without sacrificing general capabilities. By clarifying a long-standing misconception and introducing a principled localized tuning strategy, we advance fine-tuning from an underestimated baseline to a leading method for model editing, establishing a solid foundation for future research.

Mixture-of-Experts (MoE) models have demonstrated exceptional performance in large-scale language models. Existing routers typically rely on non-differentiable Top-$k$+Softmax, limiting their performance and scalability. We argue that two distinct decisions, which experts to activate and how to distribute expert contributions among them, are conflated in standard Top-$k$+Softmax. We introduce Dirichlet-Routed MoE (DirMoE), a novel end-to-end differentiable routing mechanism built on a Dirichlet variational autoencoder framework. This design fundamentally disentangles the core routing problems: expert selection, modeled by a Bernoulli component, and expert contribution among chosen experts, handled by a Dirichlet component. The entire forward pass remains fully differentiable through the use of Gumbel-Sigmoid relaxation for the expert selection and implicit reparameterization for the Dirichlet distribution. Our training objective, a variational ELBO, includes a direct sparsity penalty that precisely controls the number of active experts in expectation, alongside a schedule for key hyperparameters that guides the model from an exploratory to a definitive routing state. Moreover, our DirMoE router matches or exceeds other methods while improving expert specialization.

Learned Sparse Retrieval (LSR) combines the efficiency of bi-encoders with the transparency of lexical matching, but existing approaches struggle to scale beyond English. We introduce MILCO, an LSR architecture that maps queries and documents from different languages into a shared English lexical space via a multilingual connector. MILCO is trained with a specialized two-stage regime that combines Sparse Alignment Pretraining with contrastive training to provide representation transparency and effectiveness while mitigating semantic collapse. Motivated by the observation that uncommon entities are often lost when projected into English, we propose a new LexEcho head, which enhances robustness by augmenting the English lexical representation with a source-language view obtained through a special [ECHO] token. MILCO achieves state-of-the-art multilingual and cross-lingual LSR performance, outperforming leading dense, sparse, and multi-vector baselines such as BGE-M3 and Qwen3-Embed on standard multilingual benchmarks, while supporting dynamic efficiency through post-hoc pruning. Notably, when using mass-based pruning to reduce document representations to only 30 active dimensions on average, MILCO 560M outperforms the similarly-sized Qwen3-Embed 0.6B with 1024 dimensions, while achieving 3$\times$ lower retrieval latency and 10$\times$ smaller index size.

Recent works have shown that tokenisation is $\mathsf{NP}$-complete. However, these works assume tokenisation is applied to inputs with unboundedly large alphabets—an unrealistic assumption, given that in practice tokenisers operate over fixed-size alphabets, such as bytes or Unicode-characters. We close this gap by analysing tokenisation over bounded alphabets, considering two natural variants: bottom-up tokenisation and direct tokenisation, where we must, respectively, select a sequence of merge operations or a vocabulary whose application optimally compresses a dataset. We prove that even with binary alphabets, both variants are not only $\mathsf{NP}$-complete, but also $\mathsf{APX}$-hard and thus admit no polynomial-time approximation scheme (unless $\mathsf{P}=\mathsf{NP}$). We further show that direct tokenisation remains $\mathsf{NP}$-complete even when applied to unary alphabets. These results establish that the computational intractability of tokenisation is not an artifact of large alphabets or complex constructions, but a fundamental barrier. Overall, our results explain why current practical algorithms such as BPE and UnigramLM are heuristic, and point toward approximation algorithms being an important path going forward for tokenisation research.

Large Language Models (LLMs) have shown remarkable reasoning capabilities, while their practical applications are limited by severe factual hallucinations due to limitations in the timeliness, accuracy, and comprehensiveness of their parametric knowledge. Meanwhile, enhancing retrieval-augmented generation (RAG) with reasoning remains challenging due to ineffective task decomposition and redundant retrieval, which can introduce noise and degrade response quality. In this paper, we propose DeepRAG, a framework that models retrieval-augmented reasoning as a Markov Decision Process (MDP), enabling reasonable and adaptive retrieval. By iteratively decomposing queries, DeepRAG dynamically determines whether to retrieve external knowledge or rely on parametric reasoning at each step. Experiments show that DeepRAG improves retrieval efficiency and boosts answer accuracy by 25.41%, demonstrating its effectiveness in enhancing retrieval-augmented reasoning.

Agentic tasks, which require multistep problem solving with tool use and adaptive reasoning, are becoming increasingly central to the advancement of NLP and AI. Although benchmarks such as GAIA and BrowseComp have advanced agent evaluation, their scalability remains limited by the high cost of human annotation. We introduce TaskCraft, the first automated workflow for generating scalable, multitool, and verifiable agentic tasks of difficulty. TaskCraft progressively complexifies atomic tasks through depth-based and width-based extensions, with incremental validation via rejection sampling and LLM-based linguistic analysis, ensuring both scalability and efficiency. The generated tasks enable trajectory sampling within state-of-the-art workflows, supporting end-to-end SFT and RL training. Experimental results on multiple LLMs show that TaskCraft data substantially improves multi-hop reasoning and agentic capabilities. Further scaling with TaskCraft tasks and applying RL training yields additional gains, achieving state-of-the-art performance on four agentic benchmarks. The resulting dataset comprises 41k tool-intensive tasks across varied difficulty levels, including 12.6k tool-interaction trajectories and 5k multihop decompositions.

Sparse autoencoders (SAEs) provide a powerful mechanism for decomposing the dense representations produced by Large Language Models (LLMs) into interpretable latent features. We posit that SAEs constitute a natural foundation for Learned Sparse Retrieval (LSR), whose objective is to encode queries and documents into high-dimensional sparse representations optimized for efficient retrieval. In contrast to existing LSR approaches that project input sequences into the vocabulary space, SAE-based representations offer the potential to produce more semantically structured, expressive, and language-agnostic features. By leveraging recently released open-source SAEs, we show that their latent features can serve as effective indexing units for representing documents and queries for sparse retrieval. Our experiments demonstrate that SAE-based LSR models consistently outperform their vocabulary-based counterparts in multilingual and out-of-domain settings. Finally, we introduce SPLARE, a 7B-parameter multilingual retrieval model capable of producing generalizable sparse latent embeddings for a wide range of languages and domains, achieving top results on MMTEB’s multilingual and English retrieval tasks. We also release a more efficient 2B-parameter variant, offering strong performance with a significantly lighter footprint.

Cover songs constitute a vital aspect of musical culture, preserving the core melody of an original composition while reinterpreting it to infuse novel emotional depth and thematic emphasis. Although prior research has explored the reinterpretation of instrumental music through melody-conditioned text-to-music models, the task of cover song generation remains largely unaddressed. In this work, we reformulate our cover song generation as a conditional generation, which simultaneously generates new vocals and accompaniment conditioned on the original vocal melody and text prompts. To this end, we present SongEcho, which leverages Instance-Adaptive Element-wise Linear Modulation (IA-EiLM), a framework that incorporates controllable generation by improving both conditioning injection mechanism and conditional representation. To enhance the conditioning injection mechanism, we extend Feature-wise Linear Modulation (FiLM) to an Element-wise Linear Modulation (EiLM), to facilitate precise temporal alignment in melody control. For conditional representations, we propose Instance-Adaptive Condition Refinement (IACR), which refines conditioning features by interacting with the hidden states of the generative model, yielding instance-adaptive conditioning. Additionally, to address the scarcity of large-scale, open-source full-song datasets, we construct Suno70k, a high-quality AI song dataset enriched with comprehensive annotations. Experimental results across multiple datasets demonstrate that our approach generates superior cover songs compared to existing methods, while requiring fewer than 30% of the trainable parameters. The code, dataset, and demos are available at https://github.com/lsfhuihuiff/SongEcho_ICLR2026.

Recent advancements in reinforcement learning from verifiable rewards (RLVR), particularly through Group Relative Policy Optimization (GRPO), have significantly improved the capabilities of large language models (LLMs) for interactive coding agents. However, these methods overlook process-verifiable environment feedback (e.g., code execution failures), leading to inaccurate advantage estimation at each reasoning step and insufficient learning. To address this issue, we propose Group Verification-based Policy Optimization (GVPO), a novel RL algorithm that introduces an advantage shaping framework integrating both outcome-verifiable and process-verifiable signals. While outcome-verifiable rewards ensure alignment with long-term task objectives, process-verifiable feedback derived from intermediate execution traces (e.g., syntax errors, runtime exceptions) serves as corrective shaping terms at the step level. By jointly leveraging these two forms of verifiability, GVPO achieves more accurate credit assignment, balancing short-term process guidance with long-term outcome alignment. This unified formulation yields more stable optimization, faster convergence, and stronger generalization in complex interactive environments. A 32B-parameter agent trained with GVPO in the AppWorld environment outperforms OpenAI’s o1 agent by 12.7\% on the more challenging Test-C split and surpasses the strongest 32B RL-trained state-of-the-art baseline by 3.7\%.

Preference alignment is an essential step in adapting large language models (LLMs) to human values, but existing approaches typically depend on costly human annotations or large-scale API-based models. We explore whether a weak LLM can instead act as an effective annotator. We surprisingly find that selecting only a subset of a weak LLM's highly confident samples leads to substantially better performance than using full human annotations. Building on this insight, we propose Confidence-Weighted Preference Optimization (CW-PO), a general framework that re-weights training samples by a weak LLM’s confidence and can be applied across different preference optimization objectives. Notably, the model aligned by CW-PO with just 20\% of human annotations outperforms the model trained with 100\% of annotations under standard DPO. These results suggest that weak LLMs, when paired with confidence weighting, can dramatically reduce the cost of preference alignment while even outperforming methods trained on fully human-labeled data.

Table Question Answering (Table QA) in real-world settings must operate over both structured databases and semi-structured tables containing textual fields. However, existing benchmarks are tied to fixed data formats and have not systematically examined how representation itself affects model performance. We present the first controlled study that isolates the role of table representation by holding content constant while varying structure. Using a verbalization pipeline, we generate paired structured and semi-structured tables, enabling direct comparisons across modeling paradigms. To support detailed analysis, we introduce a diagnostic benchmark with splits along table size, join requirements, query complexity, and schema quality. Our experiments reveal consistent trade-offs: SQL-based methods achieve high accuracy on structured inputs but degrade on semi-structured data, LLMs exhibit flexibility but reduced precision, and hybrid approaches strike a balance, particularly under noisy schemas. These effects intensify with larger tables and more complex queries. Ultimately, no single method excels across all conditions, and we highlight the central role of representation in shaping Table QA performance. Our findings provide actionable insights for model selection and design, paving the way for more robust hybrid approaches suited for diverse real-world data formats.

Recent advances in large language model (LLM) reasoning have shown that reasoning ability can emerge through reinforcement learning (RL). However, despite these successes, RL in its current form remains insufficient to induce capabilities that exceed the limitations of the base model, as it is primarily optimized based on existing knowledge of the model. To address this limitation, we employ supervised fine-tuning (SFT) to learn what RL cannot, which enables the incorporation of new knowledge and reasoning patterns by leveraging high-quality demonstration data. We analyze the training dynamics of RL and SFT for LLM reasoning and find that RL excels at improving performance on questions within the model's original capabilities, while SFT is more effective at enabling progress on questions beyond the current scope of the model. Motivated by the complementary strengths of RL and SFT, we introduce \textbf{ReLIFT} (\textbf{Re}inforcement \textbf{L}earning \textbf{I}nterleaved with Online \textbf{F}ine-\textbf{T}uning), a novel training strategy. ReLIFT employs RL for general training, but interleaves it with targeted SFT on challenging questions for which high-quality solutions are collected online. By alternating between RL and SFT, ReLIFT addresses model weaknesses as they emerge. Empirically, ReLIFT outperforms previous RLVR methods by an average of +6.7 points across a suite of six benchmarks (five math reasoning and one out-of-distribution). More importantly, ReLIFT surpasses baselines such as individual RL, individual SFT, and various hybrid approaches while reducing the required training time. These results provide compelling evidence that ReLIFT is a powerful and resource-efficient paradigm for developing capable reasoning models. The code is available at \href{https://github.com/TheRoadQaQ/ReLIFT}{here}.

While reinforcement learning from verifiable rewards (RLVR) typically has relied on a single binary verification signal, symbolic proof assistants in formal reasoning offer rich, fine-grained structured feedback. This gap between structured processes and unstructured rewards highlights the importance of feedback that is both dense and sound. In this work, we demonstrate that the Lean proof assistant itself can serve as a symbolic process oracle, supplying both outcome-level and fine-grained tactic-level verified feedback during training. Proof attempts are parsed into tactic sequences, and Lean's elaboration marks both locally sound steps and the earliest failing step, yielding dense, verifier-grounded credit signals rooted in type theory. We incorporate these structured rewards into a GRPO-style reinforcement learning objective with first-error propagation and first-token credit methods that balances outcome- and process-level advantages. Experiments with STP-Lean and DeepSeek-Prover-V1.5 show that tactic-level supervision outperforms outcome-only baselines in most settings, delivering improvements on benchmarks such as MiniF2F and ProofNet. Beyond empirical gains, our study highlights a broader perspective: symbolic proof assistants are not only verifiers at evaluation time, but can also act as process-level reward oracles during training. This opens a path toward reinforcement learning frameworks that combine the scalability of language models with the reliability of symbolic verification for formal reasoning.

Large Language Models (LLMs) have shown remarkable success, and their multimodal expansions (MLLMs) further unlock capabilities spanning images, videos, and other modalities beyond text. However, despite this shift, prompt optimization approaches, designed to reduce the burden of manual prompt crafting while maximizing performance, remain confined to text, ultimately limiting the full potential of MLLMs. Motivated by this gap, we introduce the new problem of multimodal prompt optimization, which expands the prior definition of prompt optimization to the multimodal space defined by the pairs of textual and non-textual prompts. To tackle this problem, we then propose the Multimodal Prompt Optimizer (MPO), a unified framework that not only performs the joint optimization of multimodal prompts through alignment-preserving updates but also guides the selection process of candidate prompts by leveraging earlier evaluations as priors in a Bayesian-based selection strategy. Through extensive experiments across diverse modalities that go beyond text, such as images, videos, and even molecules, we demonstrate that MPO outperforms leading text-only optimization methods, establishing multimodal prompt optimization as a crucial step to realizing the potential of MLLMs.

Agentic task-solving with Large Language Models (LLMs) requires multi-turn, multi-step interactions, often involving complex function calls and dynamic user-agent exchanges. Existing simulation-based data generation methods for such scenarios rely heavily on costly autoregressive interactions between multiple LLM agents, thereby compromising the practical efficiency of agentic data generation. In this paper, we propose ToolACE-MT, a novel Non-Autoregressive Iterative Generation framework for constructing high-quality multi-turn agentic dialogues. ToolACE-MT generates full conversational trajectories through three stages: coarse-grained initialization, iterative refinement, and offline verification. The initialization phase builds a structurally complete yet semantically coarse dialogue skeleton; the iterative refinement phase introduces realistic complexities and continued refinement via mask-and-fill operations; and the offline verification phase ensures correctness and coherence via rule- and model-based checks. Experiments demonstrate that ToolACE-MT enables efficient, effective and generalizable agentic data generation, offering a new paradigm for high-quality data construction in tool-augmented LLM scenarios.

Omni-modal large language models (OLLMs) aim to unify audio, vision, and text understanding within a single framework. While existing benchmarks have advanced multimodal evaluation, it remains unclear whether OLLMs achieve modality-invariant reasoning or inherit modality-specific biases. We introduce \textbf{XModBench}, a large-scale tri-modal benchmark explicitly designed to measure cross-modal consistency. XModBench contains 60K multiple-choice questions across five task families and systematically covers all six cross-modality directions, enabling diagnosis of task competence, modality disparity, and directional imbalance. Experiments show that even the strongest model, Gemini 2.5 Pro, (i) struggles with spatial and temporal reasoning, achieving less than 60% accuracy, (ii) suffers from modality disparities, with performance dropping by over {20 points} on average when audio inputs replace text, and (iii) exhibits directional imbalance, with a {9-point gap} when using vision as context versus using text as context. The findings suggest that OLLMs fall short of modality-invariant reasoning, and XModBench provides a fundamental diagnostic tool for evaluating and improving their overall cross-modal competence.

Winning competitive debates requires sophisticated reasoning and argument skills. There are unique challenges in the competitive debate: (1) The time constraints force debaters to make strategic choices about which points to pursue rather than covering all possible arguments; (2) The persuasiveness of the debate relies on the back-and-forth interaction between arguments, which a single final game status cannot evaluate. To address these challenges, we propose TreeDebater, a novel debate framework that excels in competitive debate. We introduce two tree structures: the Rehearsal Tree and Debate Flow Tree. The Rehearsal Tree anticipates the attack and defenses to evaluate the strength of the claim, while the Debate Flow Tree tracks the debate status to identify the active actions. TreeDebater allocates its time budget among candidate actions and uses the speech time controller and feedback from the simulated audience to revise its statement. The human evaluation on both the stage-level and the debate-level comparison shows that our TreeDebater outperforms the state-of-the-art multi-agent debate system, with a +15.6% improvement in stage-level persuasiveness with DeepSeek and +10% debate-level opinion shift win. Further investigation shows that TreeDebater shows better strategies in limiting time to important debate actions, aligning with the strategies of human debate experts.

Open-set text classification (OSTC) requires models to correctly classify in-distribution (ID) samples while reliably rejecting out-of-distribution (OOD) inputs—an essential capability for real-world NLP systems. Most OSTC methods train on ID data under the closed assumption that all outputs belong to the known label space and then perform OOD detection with the biased representations, which inherently lack awareness of unknowns and thus yield overconfident predictions on OOD inputs. In this work, we present UnLLM, an Unknown-aware Large Language Model for OSTC. Instead of fixing classification to the entire known label space, we reformulate it into a subset-conditioned text generation task: the LLM is prompted with sampled subsets of known labels, and any instance outside the candidate set is explicitly assigned as “unknown”. This reformulation transforms OOD detection from a post-hoc procedure into an intrinsic modeling capability. More importantly, our approach is the first to explicitly incorporate the unknown into classification, enabling systematic modeling of unknowns through a unified representation–logits–inference optimization, which progressively strengthens the model’s capacity to capture open-set risk. Extensive experiments across six benchmarks show that UnLLM consistently outperforms state-of-the-art (SOTA) baselines. Code and datasets are available at https://github.com/cx9941/UnLLM.

Universal sound separation faces a fundamental misalignment: models optimized for low-level signal metrics often produce semantically contaminated outputs, failing to suppress perceptually salient interference from acoustically similar sources. We introduce a preference alignment perspective, analogous to aligning LLMs with human intent. To address this, we introduce MARS-Sep, a reinforcement learning framework that reformulates separation as decision making. Instead of simply regressing ground-truth masks, MARS-Sep learns a factorized Beta mask policy that is steered by a preference reward model and optimized by a stable, clipped trust-region surrogate. The reward, derived from a progressively-aligned audio-text-vision encoder, directly incentivizes semantic consistency with query prompts. Extensive experiments on multiple benchmarks demonstrate consistent gains in Text-, Audio-, and Image-Queried separation, with notable improvements in signal metrics and semantic quality. Our code is available at https://github.com/mars-sep/MARS-Sep. Sound separation samples are available at https://mars-sep.github.io/.

Large Language Models (LLMs) are widely used as judges to evaluate response quality, providing a scalable alternative to human evaluation. However, most LLM judges operate solely on intrinsic text-based reasoning, limiting their ability to verify complex constraints or perform accurate computation. Motivated by the success of tool-integrated reasoning (TIR) in numerous tasks, we propose TIR-Judge, an end-to-end RL framework for training LLM judges that integrates a Python executor for precise evaluation. TIR-Judge is built on three principles: (i) diverse training across verifiable and non-verifiable domains, (ii) flexible judgment formats (pointwise, pairwise, listwise), and (iii) iterative RL that enables bootstrapping directly from a base model without distillation. On six public benchmarks, TIR-Judge surpasses strong reasoning-based judges by up to 6.4% (pointwise) and 7.7% (pairwise), and achieves listwise performance comparable to Claude-Opus-4 despite having only 8B parameters. Remarkably, TIR-Judge-Zero—trained entirely without distillation—matches the performance of the distilled variants, showing that tool-augmented judges can self-improve through iterative reinforcement learning.

Audio inpainting seeks to restore missing segments in degraded recordings. Previous diffusion-based methods exhibit impaired performance when the missing region is large. We introduce the first approach that applies discrete diffusion over tokenized music representations from a pre-trained audio tokenizer, enabling stable and semantically coherent restoration of long gaps. Our method further incorporates two training approaches: a derivative-based regularization loss that enforces smooth temporal dynamics, and a span-based absorbing transition that provides structured corruption during diffusion. Experiments on the MusicNet and MAESTRO datasets with gaps up to 750ms show that our approach consistently outperforms strong baselines across range of gap lengths, for gaps of 150ms and above. This work advances musical audio restoration and introduces new directions for discrete diffusion model training. Visit our project page for examples and code.

Self-evolving Large Language Models (LLMs) offer a scalable path toward super-intelligence by autonomously generating, refining, and learning from their own experiences. However, existing methods for training such models still rely heavily on vast human-curated tasks and labels, typically via fine-tuning or reinforcement learning, which poses a fundamental bottleneck to advancing AI systems toward capabilities beyond human intelligence. To overcome this limitation, we introduce R-Zero, a fully autonomous framework that generates its own training data from scratch. Starting from a single base LLM, R-Zero initializes two independent models with distinct roles, a Challenger and a Solver. These models are optimized separately and co-evolve through interaction: the Challenger is rewarded for proposing tasks near the edge of the Solver capability, and the Solver is rewarded for solving increasingly challenging tasks posed by the Challenger. This process yields a targeted, self-improving curriculum without any pre-existing tasks and labels. Empirically, R-Zero substantially improves reasoning capability across different backbone LLMs, e.g., boosting the Qwen3-4B-Base by +6.49 on math-reasoning benchmarks and +7.54 on general-domain reasoning benchmarks.

Recent efforts target spoken language models (SLMs) that not only listen but also speak for more natural human-LLM interaction. Joint text-speech modeling is a promising direction to achieve this. However, the effectiveness of recent speech tokens for joint modeling remains under-explored. To address this, we introduce Text-Aligned Speech Tokenization and Embedding (TASTE), a method that directly addresses the modality gap by aligning speech token with the corresponding text transcription during the tokenization stage. We propose a method that can achieve this through a attention-based aggregation mechanism and with speech reconstruction as the training objective. We have conducted extensive experiments to demonstrate that TASTE can preserve essential paralinguistic information while dramatically reducing the token sequence length. Moreover, TASTE enables straightforward joint spoken language modeling by using Low-Rank Adaptation on the pre-trained text LLM. Our experimental results show that joint modeling with TASTE outperforms other pre-trained SLMs in tasks such as speech continuation and likelihood-based next-speech selection, showcasing its effectiveness. To our best knowledge, TASTE is the first end-to-end approach that utilizes a reconstruction objective to learn a joint tokenization and embedding tailored for text-speech spoken language modeling.

Puzzlehunts are a genre of complex, multi-step puzzles lacking well-defined problem definitions. In contrast to conventional reasoning benchmarks consisting of tasks with clear instructions and constrained environments, puzzlehunts requires discovering the underlying problem structure from multimodal evidence and iterative reasoning, mirroring real-world domains such as scientific discovery, exploratory data analysis, or investigative problem-solving. Despite progress in foundation models, their performance on open-ended settings remains largely untested. We introduce PuzzleWorld, a comprehensive benchmark of 667 puzzlehunt-style problems designed to assess step-by-step, open-ended, and creative multimodal reasoning. Each puzzle is annotated with the final solution, detailed reasoning traces, and cognitive skill labels, enabling holistic benchmarking and fine-grained diagnostic analysis. Most state-of-the-art models achieve only 1-4\% final answer accuracy. On PuzzleWorld, the best model solves only 18\% of puzzles and reaches 40\% stepwise accuracy, matching human puzzle novices but falling significantly behind puzzle enthusiasts. To demonstrate the value of our reasoning annotations, we show that fine-tuning a small model on reasoning traces boosts stepwise accuracy from 4\% to 11\%, which translates to improvements in downstream visual reasoning tasks. Our detailed error analysis reveals that current models exhibit myopic reasoning, are bottlenecked by the limitations of language-based inference, and lack sketching capabilities crucial for visual and spatial reasoning. We release PuzzleWorld at https://github.com/MIT-MI/PuzzleWorld to support future work on building more general, open-ended, and creative reasoning systems.

Spoken Language Models (SLMs) are designed to take speech inputs and produce spoken responses. However, current SLMs lack the ability to perform an internal, unspoken thinking process before responding. In contrast, humans typically engage in complex mental reasoning internally, enabling them to communicate ideas clearly and concisely. Thus, integrating an unspoken thought process into SLMs is highly desirable. While naively generating a complete chain-of-thought (CoT) reasoning before starting to talk can enable thinking for SLMs, this induces additional latency for the speech response, as the CoT reasoning can be arbitrarily long. To solve this issue, we propose STITCH, a novel generation method that alternates between the generation of unspoken reasoning chunks and spoken response chunks. Since the audio duration of a chunk of spoken response is much longer than the time to generate the tokens in a chunk of spoken response, we use the remaining free time to generate the unspoken reasoning tokens. When a chunk of audio is played to the user, the model continues to generate the next unspoken reasoning chunk, achieving simultaneous thinking and talking. Remarkably, STITCH matches the latency of baselines that cannot generate unspoken CoT by design while outperforming those baselines by 15% on math reasoning datasets; STITCH also performs equally well on non-reasoning datasets as those baseline models. Some animations and demonstrations are on the project page: https://d223302.github.io/STITCH.

Associative memory systems face significant challenges in efficiently retrieving semantically related information from large document collections, particularly when queries require traversing complex relationships between concepts. Traditional retrieval-augmented generation (RAG) approaches often struggle to capture intricate associative patterns and relationships embedded within textual data. To address this limitation, we propose BrowseNet, a novel associative memory framework that leverages query-specific subgraph exploration within a named-entity-based graph for enhanced information retrieval. Our method transforms unstructured text into a graph-of-chunks representation, where nodes encode document chunks with semantic embeddings and edges capture lexical relationships between content segments. By dynamically traversing the graph-of-chunks based on query characteristics, BrowseNet emulates content-addressable memory systems that enable efficient pattern matching and associative recall. The framework incorporates both structural similarity derived from lexical relationships and semantic similarity based on embedding representations to optimize retrieval performance. We evaluate BrowseNet against established RAG baselines and state-of-the-art (SOTA) pipelines using publicly available datasets that require associative reasoning across multiple information sources. Experimental results demonstrate that BrowseNet achieves SOTA performance in exact match score over both the graph-based RAG approaches and the dense retrieval methods. The two-pronged approach combining structural graph traversal with semantic embeddings enables more effective associative memory retrieval, particularly for queries requiring the integration of disparate but related information. The code and datasets are open-sourced at: https://github.com/bisect-group/BrowseNet

This post is my attempt to write down the UnigramLM tokenization algorithm cleanly and explicitly because, well, I still haven't found such a derivation and I think understanding the theory behind the method could help us make it better. I'll formalize the generative model around which the algorithm is based, derive the EM updates, explain why pruning is needed (and how it's done), and point out the spots where the practical implementation defined by the SentencePiece library diverges from the pretty mathematical models.

Neural recordings exhibit a distinctive form of heterogeneity rooted in differences in cell types, intrinsic circuit dynamics, and stochastic stimulus–response variability that goes beyond ordinary dataset variability, mixing statistically regular neurons with highly stochastic, stimulus-contingent ones within the same dataset. This heterogeneity poses a challenge for self-supervised learning (SSL)—learnable statistical regularity—thereby destabilizing representation learning and limiting reliable scaling. We introduce POYO-CAP (Cell-pattern Aware Pretraining), a biologically grounded hybrid pretraining strategy that first trains with masked reconstruction plus lightweight auxiliary supervision on statistically regular neurons—identified via skewness and kurtosis—and then fine-tunes on more stochastic populations. On the Allen Brain Observatory dataset, this curriculum yields 12–13\% relative improvements over from-scratch training and enables smooth, monotonic scaling with model size, whereas baselines trained on mixed populations plateau or destabilize. By making statistical predictability an explicit data-selection criterion, POYO-CAP turns neural heterogeneity into a scalable learning advantage for robust neural decoding.

Accurate prediction of human behavior is essential for robust and safe human-AI collaboration. However, existing approaches for modeling people are often data-hungry and brittle because they either make unrealistic assumptions about rationality or are too computationally demanding to adapt rapidly. Our key insight is that many everyday social interactions may follow predictable patterns; efficient "scripts" that minimize cognitive load for actors and observers, e.g., "wait for the green light, then go." We propose modeling these routines as behavioral programs instantiated in computer code rather than policies conditioned on beliefs and desires. We introduce ROTE, a novel algorithm that leverages both large language models (LLMs) for synthesizing a hypothesis space of behavioral programs, and probabilistic inference for reasoning about uncertainty over that space. We test ROTE in a suite of gridworld tasks and a large-scale embodied household simulator. ROTE predicts human and AI behaviors from sparse observations, outperforming competitive baselines---including behavior cloning and LLM-based methods---by as much as 50% in terms of in-sample accuracy and out-of-sample generalization. By treating action understanding as a program synthesis problem, ROTE opens a path for AI systems to efficiently and effectively predict human behavior in the real-world.

Multinomial logistic regression (MLR) is a classic model for multi-class classification that has been widely used for neural decoding. However, MLR requires a finite set of discrete output classes, limiting its applicability to settings with continuous-valued outputs (e.g., time, orientation, velocity, or spatial position), which are common in neuroscience settings. To address this limitation, we propose Continuous Multinomial Logistic Regression (CMLR), a generalization of logistic regression to continuous output spaces. CMLR represents a novel exponential-family model for conditional density estimation (CDE), mapping neural population activity to a full probability density over external covariates. It captures the influence of each neuron’s activity on the decoded variable through a smooth, interpretable tuning function, regularized by a Gaussian process prior. The resulting nonparametric decoding model flexibly captures asymmetric and multimodal densities, and accommodates both linear and circular variables. To illustrate the performance of CMLR, we applied it to large-scale datasets from mouse and monkey visual cortex, mouse hippocampus, and monkey motor cortex, where it generally outperformed a wide variety of other decoding methods, including deep neural networks (DNNs), XGBoost, and FlexCode. It also outperformed a closely-related correlation-blind decoder, highlighting the importance of correlations for accurate neural decoding. The CMLR model provides a scalable, flexible, and interpretable method for decoding continuous variables from diverse brain regions.

Deep learning has demonstrated remarkable capabilities in simulating complex dynamic systems. However, existing methods require known physical properties as supervision or inputs, limiting their applicability under unknown conditions. To explore this challenge, we introduce Cloth Dynamics Grounding (CDG), a novel scenario for unsupervised learning of cloth dynamics from multi-view visual observations. We further propose Cloth Dynamics Splatting (CloDS), an unsupervised dynamic learning framework designed for CDG. CloDS adopts a three-stage pipeline that first performs video-to-geometry grounding and then trains a dynamics model on the grounded meshes. To cope with large non-linear deformations and severe self-occlusions during grounding, we introduce a dual-position opacity modulation that supports bidirectional mapping between 2D observations and 3D geometry via mesh-based Gaussian splatting in video-to-geometry grounding stage. It jointly considers the absolute and relative position of Gaussian components. Comprehensive experimental evaluations demonstrate that CloDS effectively learns cloth dynamics from visual data while maintaining strong generalization capabilities for unseen configurations. Our code is available at https://github.com/whynot-zyl/CloDS. Visualization results are available at https://github.com/whynot-zyl/CloDS_video.

Spiking neural networks (SNNs) promise high energy efficiency, particularly with time-to-first-spike (TTFS) encoding, which maximizes sparsity by emitting at most one spike per neuron. However, this energy advantage is often unrealized because inference requires evaluating a temporal decay function and then multiplying the result by the synaptic weights. This paper challenges this costly approach by repurposing a physical hardware `bug', namely, the natural signal decay in optoelectronic devices, as the core computation of TTFS. We fabricated a custom indium oxide optoelectronic synapse that demonstrates how its intrinsic physical decay directly implements the required temporal function. By treating the device's analog output as the fused product of the synaptic weight and temporal decay, optoelectronic synaptic TTFS (named Otters) eliminates these expensive digital operations. To use the Otters' paradigm in complex architectures such as the transformer, which are challenging to train directly due to sparsity, we introduce a novel quantized neural network-to-SNN conversion algorithm. This complete hardware-software co-design enables our model to achieve state-of-the-art accuracy across seven GLUE benchmark datasets and demonstrates a 1.77$\times$ improvement in energy efficiency over previous leading SNNs, based on a comprehensive analysis of compute, data movement, and memory access costs using energy measurements from a commercial 22nm process. Our work thus establishes a new paradigm for energy-efficient SNNs that translates fundamental device physics directly into powerful computational primitives. All codes and data are open source.

Deep spiking neural networks (SNNs) hold immense promise for low-power event-driven computing, but their direct training via backpropagation through time (BPTT) incurs prohibitive memory cost, which limits their scalability. Existing memory-saving approaches, such as online learning, BPTT-to-BP, and reversible networks, compromise accuracy, training speed, or applicability. In this work, we propose a novel and broadly applicable pipeline for memory-efficient SNN training that preserves BPTT's accuracy. Our pipeline integrates layer-wise gradient checkpointing with lossless spike compression to eliminate internal state storage and reduce the memory cost of per-layer input spikes. We also introduce a multi-stage checkpoint adjustment strategy that adaptively refines checkpoint placement based on profiling results to further optimize memory usage and improve training speed. Wrapped in an optimization pass, the pipeline automatically restructures the computation flow before training with minimal user effort. Extensive experiments on diverse architectures and tasks demonstrate up to $8\times$ memory efficiency gains with $\le 20\%$ speed reduction and no accuracy loss. Our method provides a practical solution for efficient and scalable SNN training. Code is available at https://github.com/AllenYolk/snn-gradient-checkpointing.

Integrating Spiking Neural Networks (SNNs) with Transformer architectures offers a promising pathway to balance energy efficiency and performance, particularly for edge vision applications. However, existing Spiking Transformers face two critical challenges: (i) a substantial performance gap compared to their Artificial Neural Networks (ANNs) counterparts and (ii) high memory overhead during inference. Through theoretical analysis, we attribute both limitations to the Spiking Self-Attention (SSA) mechanism: the lack of locality bias and the need to store large attention matrices. Inspired by the localized receptive fields (LRF) and membrane-potential dynamics of biological visual neurons, we propose LRF-Dyn, which uses spiking neurons with localized receptive fields to compute attention while reducing memory requirements. Specifically, we introduce a LRF method into SSA to assign higher weights to neighboring regions, strengthening local modeling and improving performance. Building on this, we approximate the resulting attention computation via charge–fire–reset dynamics, eliminating explicit attention-matrix storage and reducing inference-time memory. Extensive experiments on visual tasks confirm that our method reduces memory overhead while delivering significant performance improvements. These results establish it as a key unit for achieving energy-efficient Spiking Transformers.

When reading, we often have specific information that interests us in a text. For example, you might be reading this paper because you are curious about LLMs for eye movements in reading, the experimental design, or perhaps you wonder ``This sounds like science fiction. Does it actually work?''. More broadly, in daily life, people approach texts with any number of text-specific goals that guide their reading behavior. In this work, we ask whether open-ended reading goals can be automatically decoded solely from eye movements in reading. To address this question, we introduce goal decoding tasks and evaluation frameworks using large-scale eye tracking for reading data in English with hundreds of text-specific information seeking tasks and auxiliary annotations of task-critical information. We develop and compare several discriminative and generative multimodal text and eye movements LLMs for these tasks. Our experiments show considerable success on selecting the correct goal among several options, and even progress towards free-form textual reconstruction of the precise goal formulation. We further tie model performance to cognitively interpretable aspects of human gaze behavior. These results open the door for further scientific investigation of goal driven reading, as well as the development of educational and assistive technologies that will rely on real-time decoding of reader goals from their eye movements.

A central goal of cognitive modeling is to develop models that not only predict human behavior but also provide insight into the underlying cognitive mechanisms. While neural network models trained on large-scale behavioral data often achieve strong predictive performance, they typically fall short in offering interpretable explanations of the cognitive processes they capture. In this work, we explore the potential of pretrained large language models (LLMs) to serve as dual-purpose cognitive models--capable of both accurate prediction and interpretable explanation in natural language. Specifically, we employ reinforcement learning with outcome-based rewards to guide LLMs toward generating explicit reasoning traces for explaining human risky choices. Our findings demonstrate that this approach produces high-quality explanations alongside strong quantitative predictions of human decisions.

Historically, neuroscience has progressed by fragmenting into specialized domains, each focusing on isolated modalities, tasks, or brain regions. While fruitful, this approach hinders the development of a unified model of cognition. Here, we introduce TRIBE, the first deep neural network trained to predict brain responses to stimuli across multiple modalities, cortical areas and individuals. By combining the pretrained representations of text, audio and video foundational models and handling their time-evolving nature with a transformer, our model can precisely model the spatial and temporal fMRI responses to videos, achieving the first place in the Algonauts 2025 brain encoding competition with a significant margin over competitors. Ablations show that while unimodal models can reliably predict their corresponding cortical networks (e.g. visual or auditory networks), they are systematically outperformed by our multimodal model in high-level associative cortices. Currently applied to perception and comprehension, our approach paves the way towards building an integrative model of representations in the human brain. Our code is available at \url{https://anonymous.4open.science/r/algonauts-2025-C63E}.

We propose NEURONA, a neuro-symbolic framework for fMRI decoding and concept grounding in neural activity. Leveraging image- and video-based fMRI question-answering datasets, NEURONA learns to decode interacting concepts from visual stimuli based on patterns of fMRI responses, integrating symbolic reasoning and compositional execution with fMRI grounding across brain regions. We demonstrate that incorporating structural priors (e.g., compositional predicate-argument dependencies between concepts) into the decoding process significantly improves both decoding accuracy over precise queries, and notably, generalization to unseen queries at test time. With NEURONA, we highlight neuro-symbolic frameworks as promising tools for understanding neural activity.

The efficiency of Logic Optimization (LO) has become one of the key bottlenecks in chip design. To prompt efficient LO, many graph-based machine learning (ML) methods, such as graph neural networks (GNNs), have been proposed to predict and prune a large number of ineffective subgraphs of the LO heuristics. However, the high inference cost and limited interpretability of these approaches severely limit their wide application to modern LO tools. To address this challenge, we propose a novel Hierarchical Circuit Symbolic Discovery Framework, namely HIS, to learn a lightweight and interpretable symbolic function that can accurately identify ineffective subgraphs for efficient LO. Specifically, HIS proposes a hierarchical tree structure to represent the circuit symbolic function, where every layer of the symbolic tree performs an efficient and interpretable message passing to capture the structural information of the circuit graph. To learn the hierarchical tree, we propose a circuit symbolic generation framework that leverages reinforcement learning to optimize a structure-aware Transformer model for symbolic token generation. To the best of our knowledge, HIS is the first approach to discover an efficient, interpretable, and high-performance symbolic function from the circuit graph for efficient LO. Experiments on two widely used circuit benchmarks show that the learned graph symbolic functions outperform previous state-of-the-art approaches in terms of efficiency and optimization performance. Moreover, we integrate HIS with the Mfs2 heuristic, one of the most time-consuming LO heuristics. Results show that HIS significantly enhances both its efficiency and optimization performance on a CPU-based machine, achieving an average runtime improvement of 27.22% and a 6.95% reduction in circuit size.

Spiking Neural Networks (SNNs) have garnered significant attention as a central paradigm in neuromorphic computing, owing to their energy efficiency and biological plausibility. However, training deep SNNs has critically depended on explicit normalization schemes, leading to a trade-off between performance and biological realism. To resolve this conflict, we propose a normalization-free learning framework that incorporates lateral inhibition inspired by cortical circuits. Our framework replaces the traditional feedforward SNN layer with distinct excitatory (E) and inhibitory (I) neuronal populations that capture the key features of the cortical E-I interaction. The E-I circuit dynamically regulates neuronal activity through subtractive and divisive inhibition, which respectively control the excitability and gain of neurons. To stabilize end-to-end training of the biologically constrained SNNs, we propose two key techniques: E-I Init and E-I Prop. E-I Init is a dynamic parameter initialization scheme that balances excitatory and inhibitory inputs while performing gain control. E-I Prop decouples the backpropagation of the circuit from the forward pass, regulating gradient flow. Experiments across multiple datasets and network architectures demonstrate that our framework enables stable training of deep normalization-free SNNs with biological realism, achieving competitive performance. Therefore, our work not only provides a solution to training deep SNNs but also serves as a computational platform for further exploring the functions of E-I interaction in large-scale cortical computation. Code is available at https://github.com/vwOvOwv/DeepEISNN.

"Read the room", or the ability to infer others' mental states from subtle social cues, is a hallmark of human social intelligence, but remains a major challenge for current AI systems. Existing social reasoning datasets are limited in complexity, scale, and coverage of mental states, falling short of the rich causal dynamics found in real-life interactions. In this work, we introduce R$^3$-Bench, an evaluation benchmark with fine-grained annotations of belief, intent, desire, emotion, and their causal chains in complex scenarios. Furthermore, we introduce R$^3$-FDT, a large-scale training set generated through a novel automated pipeline with the same chain structure. We conduct a comprehensive evaluation of state-of-the-art (SOTA) large vision-language models (LVLMs) on R$^3$-Bench, revealing substantial deficiencies in consistent multi-step social reasoning. We also fine-tune a 7B model on R$^3$-FDT, achieving notable improvements across multiple relevant benchmarks. Our contributions are three-fold: (i) a novel benchmark with richly annotated, multi-step causal reasoning data; (ii) systematic evidence that SOTA LVLMs fall far short of human-level reasoning; (iii) a scalable training dataset that significantly enhances social reasoning performance. The datasets and code are available at: .

Understanding the properties of neural populations (or voxels) in the human brain can advance our comprehension of human perceptual and cognitive processing capabilities and contribute to developing brain-inspired computer models. Recent encoding models using deep neural networks (DNNs) have successfully predicted voxel-wise activity. However, interpreting the properties that explain voxel responses remains challenging because of the black-box nature of DNNs. As a solution, we propose LLM-assisted Visual Cortex Captioning (LaVCa), a data-driven approach that leverages large language models (LLMs) to generate natural-language captions for images to which voxels are selective. By applying LaVCa for image-evoked brain activity, we demonstrate that LaVCa generates captions that describe voxel selectivity more accurately than the previous approaches. The captions generated by LaVCa quantitatively capture more detailed properties than the existing method at both the inter-voxel and intra-voxel levels. Furthermore, we find richer representational content within cortical regions that prior neuroimaging studies have deemed selective for simpler categories. These findings offer profound insights into human visual representations by assigning detailed captions throughout the visual cortex while highlighting the potential of LLM-based methods in understanding brain representations.

Information processing in neural populations is inherently constrained by metabolic resource limits and noise properties, with dynamics that are not accurately described by existing mathematical models. Recent data, for example, shows that neurons in mouse visual cortex go into a "low power mode" in which they maintain firing rate homeostasis while expending less energy. This adaptation leads to increased neuronal noise and tuning curve flattening in response to metabolic stress. We have developed a theoretical population coding framework that captures this behavior using two novel, surprisingly simple constraints: an approximation of firing rate homeostasis and an energy limit tied to noise levels via biophysical simulation. A key feature of our contribution is an energy budget model directly connecting adenosine triphosphate (ATP) use in cells to a fully explainable mathematical framework that generalizes existing optimal population codes. Specifically, our simulation provides an energy-dependent dispersed Poisson noise model, based on the assumption that the cell will follow an optimal decay path to produce the least-noisy spike rate that is possible at a given cellular energy budget. Each state along this optimal path is associated with properties (resting potential and leak conductance) which can be measured in electrophysiology experiments and have been shown to change under prolonged caloric deprivation. We analytically derive the optimal coding strategy for neurons under varying energy budgets and coding goals, and show how our method uniquely captures how populations of tuning curves adapt while maintaining homeostasis, as has been observed empirically.

Predictive coding (PC) is an influential computational model of visual learning and inference in the brain. Classical PC was proposed as a top-down generative model, where the brain actively predicts upcoming visual inputs, and inference minimises the prediction errors. Recent studies have also shown that PC can be formulated as a discriminative model, where sensory inputs predict neural activities in a feedforward manner. However, experimental evidence suggests that the brain employs both generative and discriminative inference, while unidirectional PC models show degraded performance in tasks requiring bidirectional processing. In this work, we propose bidirectional PC (bPC), a PC model that incorporates both generative and discriminative inference while maintaining a biologically plausible circuit implementation. We show that bPC matches or outperforms unidirectional models in their specialised generative or discriminative tasks, by developing an energy landscape that simultaneously suits both tasks. We also demonstrate bPC's superior performance in two biologically relevant tasks including multimodal learning and inference with missing information, suggesting that bPC resembles biological visual inference more closely.

Electroencephalography (EEG), with its broad range of applications, necessitates models that can generalize effectively across various tasks and datasets. Large EEG Models (LEMs) address this by pretraining encoder-centric architectures on large-scale unlabeled data to extract universal representations. While effective, these models lack decoders of comparable capacity, limiting the full utilization of the learned features. To address this issue, we introduce ECHO, a novel decoder-centric LEM paradigm that reformulates EEG modeling as sequence-to-sequence learning. ECHO captures layered relationships among signals, labels, and tasks within sequence space, while incorporating discrete support samples to construct contextual cues. This design equips ECHO with in-context learning, enabling dynamic adaptation to heterogeneous tasks without parameter updates. Extensive experiments across multiple datasets demonstrate that, even with basic model components, ECHO consistently outperforms state-of-the-art single-task LEMs in multi-task settings, showing superior generalization and adaptability.

Spiking Neural Networks (SNNs) offer low-latency and energy-efficient decision-making on neuromorphic hardware by mimicking the event-driven dynamics of biological neurons. However, the discrete and non-differentiable nature of spikes leads to unstable gradient propagation in directly trained SNNs, making Batch Normalization (BN) an important component for stabilizing training. In online Reinforcement Learning (RL), imprecise BN statistics hinder exploitation, resulting in slower convergence and suboptimal policies. While Artificial Neural Networks (ANNs) can often omit BN, SNNs critically depend on it, limiting the adoption of SNNs for energy-efficient control on resource-constrained devices. To overcome this, we propose Confidence-adaptive and Re-calibration Batch Normalization (CaRe-BN), which introduces (i) a confidence-guided adaptive update strategy for BN statistics and (ii) a re-calibration mechanism to align distributions. By providing more accurate normalization, CaRe-BN stabilizes SNN optimization without disrupting the RL training process. Importantly, CaRe-BN does not alter inference, thus preserving the energy efficiency of SNNs in deployment. Extensive experiments on both discrete and continuous control benchmarks demonstrate that CaRe-BN improves SNN performance by up to $22.6$% across different spiking neuron models and RL algorithms. Remarkably, SNNs equipped with CaRe-BN even surpass their ANN counterparts by $5.9$%. These results highlight a new direction for BN techniques tailored to RL, paving the way for neuromorphic agents that are both efficient and high-performing. Code is available at https://github.com/xuzijie32/CaRe-BN.

Continuous learning of novel classes is crucial for edge devices to preserve data privacy and maintain reliable performance in dynamic environments. However, the scenario becomes particularly challenging when data samples are insufficient, requiring on-device few-shot class-incremental learning (FSCIL). Although existing work has explored parameter-efficient FSCIL frameworks based on artificial neural networks (ANNs), their deployment is still fundamentally constrained by limited device resources. Spiking neural networks (SNNs) process spatiotemporal information efficiently, offering lower energy consumption, greater biological plausibility, and compatibility with neuromorphic hardware than ANNs. In this work, we propose an SNN-based method containing Sparsity-Aware neuronal dynamics and Fast Adaptive structure (SAFA-SNN) for on-device FSCIL. By threshold regulation, most neurons exhibit stable spikes and others exhibit adaptive spikes. As a result, synaptic traces that encode base-class knowledge are naturally preserved, thereby alleviating catastrophic forgetting. To cope with spike non-differentiability in backpropagation, we employ a gradient-free technique, i.e., zeroth-order optimization. Moreover, class prototypes can limit overfitting on few-shot data but introduce bias. We enhance prototype discriminability by orthogonal subspace projection. Extensive experiments conducted on two standard benchmark datasets (CIFAR-100 and Mini-ImageNet) and three neuromorphic datasets (CIFAR10-DVS, DVS128 Gesture, and N-Caltech101) demonstrate that SAFA-SNN outperforms baselines, specifically achieving at least 4.01\% improvement at the last incremental session on Mini-ImageNet and 20\% lower energy cost on CIFAR-100 over baselines with practical implementation.

Normative and task-driven theories offer powerful top-down explanations for biological systems, yet the goals of quantitatively arbitrating between competing theories, and utilizing them as inductive biases to improve data-driven fits of real biological datasets are prohibitively laborious, and often impossible. To this end, we introduce a Bayesian meta-learning framework designed to automatically convert raw functional predictions from normative theories into tractable probabilistic models. We employ adaptive deep kernel Gaussian processes, meta-learning a kernel on synthetic data generated from a normative theory. This Theory-Informed Kernel specifies a probabilistic model representing the predictions of a given theoretical model: usable for both fitting data and rigorously validating the theory. As a demonstration, we apply our framework to the early visual system, using efficient coding as our normative theory. We show improved response prediction accuracy in ex vivo recordings of mouse retinal ganglion cells stimulated by natural scenes compared to conventional data-driven baselines, while providing accurate uncertainty estimates and interpretable representations. Using exact Bayesian model selection, we also show that our informed kernel can accurately infer the degree of theory-match from data, confirming faithful encapsulation of theory structure. This work provides a more general, scalable, and automated approach for integrating theoretical knowledge into data-driven scientific inquiry in neuroscience and beyond.

In control problems and basic scientific modeling, it is important to compare observations with dynamical simulations. For example, comparing two neural systems can shed light on the nature of emergent computations in the brain and deep neural networks. Recently, Ostrow et al. (2023) introduced Dynamical Similarity Analysis (DSA), a method to measure the similarity of two systems based on their recurrent dynamics rather than geometry or topology. However, DSA does not consider how inputs affect the dynamics, meaning that two similar systems, if driven differently, may be classified as different. Because real-world dynamical systems are rarely autonomous, it is important to account for the effects of input drive. To this end, we introduce a novel metric for comparing both intrinsic (recurrent) and input-driven dynamics, called InputDSA (iDSA). InputDSA extends the DSA framework by estimating and comparing both input and intrinsic dynamic operators using a variant of Dynamic Mode Decomposition with control (DMDc) based on subspace identification. We demonstrate that InputDSA can successfully compare partially observed, input-driven systems from noisy data. We show that when the true inputs are unknown, surrogate inputs can be substituted without a major deterioration in similarity estimates. We apply InputDSA on Recurrent Neural Networks (RNNs) trained with Deep Reinforcement Learning, identifying that high-performing networks are dynamically similar to one another, while low-performing networks are more diverse. Lastly, we apply InputDSA to neural data recorded from rats performing a cognitive task, demonstrating that it identifies a transition from input-driven evidence accumulation to intrinsically-driven decision-making. Our work demonstrates that InputDSA is a robust and efficient method for comparing intrinsic dynamics and the effect of external input on dynamical systems.

Decoding complex auditory experiences from non-invasive EEG is a rapidly emerging field that holds significant promise for advancing both fundamental neuroscience and human-machine interaction technologies. Recent developments in EEG foundation models have yielded powerful neural representations that are promising for auditory decoding. However, the effectiveness of these models remains fundamentally constrained by their limited integration with acoustic stimulus information. Specifically, the lack of deep coupling between neural signals and auditory inputs hampers the models’ ability to generalize effectively across diverse auditory tasks. To bridge this gap, we introduce MindMix, a multimodal foundation model designed to bridge the gap between unimodal EEG foundations and task-specific auditory decoders. MindMix employs a two-stage training strategy: first, a high-capacity EEG encoder is pre-trained on over 3,000 hours of EEG data to learn generalized EEG features that can transfer across tasks and subjects. Second, the model learns the neural-acoustic mapping using over 100 hours of paired data, facilitated by our novel Cross-Attention Low-Rank Alignment module, which facilitates fine-grained, cross-modal information integration. Experimental results demonstrate that MindMix substantially surpassing existing baselines across a range of auditory decoding tasks, including auditory attention decoding, auditory emotion recognition, and cross-modal retrieval. This work thus establishes a foundation for future research in multimodal brain decoding and auditory brain-computer interfaces. Our code is available at https://github.com/CookieMikeLiu/MindMix.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents’ ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions $n$, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as $n$ increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed ``agentless'' harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment.

Large language models (LLMs) already excel at writing code in high-resource languages such as Python and JavaScript, yet stumble on low-resource languages that remain essential to science and engineering. Besides the obvious shortage of pre-training data, post-training itself is a bottleneck: every new language seems to require new datasets, test harnesses, and reinforcement learning (RL) infrastructure. We introduce Agnostics, a language-agnostic post-training pipeline that eliminates this per-language engineering. The key idea is to judge code solely by its externally observable behavior, so a single verifier can test solutions written in any language. Concretely, we (i) use an LLM to rewrite existing unit-test datasets into an I/O format, (ii) supply a short configuration that tells the verifier how to compile and run a target language, and (iii) apply reinforcement learning with verifiable rewards (RLVR) in a robust code execution environment. Applied to five low-resource languages—Lua, Julia, R, OCaml, and Fortran—Agnostics (1) improves Qwen-3 4B to performance that rivals other 16B–70B open-weight models; (2) scales cleanly to larger and diverse model families (Qwen-3 8B, DeepSeek Coder 6.7B Instruct, SmolLM3, Phi 4 Mini); and (3) for open-weight models with ≤16B parameters, sets new state-of-the-art pass@1 results on MultiPL-E and a new multi-language version of LiveCodeBench that we introduce. We release the language-agnostic training datasets (Ag-MBPP-X, Ag-Codeforces-X, Ag-LiveCodeBench-X), training code, and ready-to-use configurations, making RL post-training in any programming language as simple as editing a short YAML file.

Resource allocation (RA) is critical to efficient service deployment in Network Function Virtualization (NFV), a transformative networking paradigm. This task is termed NFV-RA. Recently, deep Reinforcement Learning (RL)-based methods have been showing promising potential to address this combinatorial complexity of constrained cross-graph mapping. However, RL-driven NFV-RA research lacks a systematic benchmark for comprehensive simulation and rigorous evaluation. This gap hinders in-depth performance analysis and slows algorithm development for emerging networks, resulting in fragmented assessments. In this paper, we introduce Virne, a comprehensive benchmarking framework designed to accelerate the research and application of deep RL for NFV-RA. Virne provides customizable simulations for diverse network scenarios, including cloud, edge, and 5G environments. It features a modular and extensible implementation pipeline that integrates over 30 methods of various types. Virne also establishes a rigorous evaluation protocol that extends beyond online effectiveness to include practical perspectives such as solvability, generalizability, and scalability. Furthermore, we conduct in-depth analysis through extensive experiments to provide valuable insights into performance trade-offs for efficient implementation and offer actionable guidance for future research directions. Overall, with its capabilities of diverse simulations, rich implementations, and thorough evaluation, Virne could serve as a comprehensive benchmark for advancing NFV-RA methods and deep RL applications. The code and resources are available at https://github.com/GeminiLight/virne.

Formulaic alpha factor mining (FAFM) is a central problem in quantitative investment, where interpretable formulas are designed to extract predictive signals from historical financial series. With the emergence of large language models (LLMs), recent studies have begun to explore their roles in FAFM, yet their capabilities across different tasks and configurations remain unclear. In this work, we introduce AlphaBench, the first systematic benchmark for evaluating LLMs in FAFM. AlphaBench covers three core tasks, including factor generation, factor evaluation, and factor searching, which are all popular tasks integrated in the workflow of quantitative researchers. Beyond task-level evaluation, we further analyze how different LLM settings, including model type, prompting paradigm, and reasoning strategy, influence performance. Our experiments on a range of open-source and closed-source models reveal that LLMs hold strong potential in automating factor mining, while also facing persistent challenges in robustness, search efficiency, and practical usability. The project is available at: https://alphabench.cc/

Using intelligent systems to perceive psychological and social behaviors, that is, the underlying affective, cognitive, and pathological states that are manifested through observable behaviors and social interactions, remains a challenge due to their complex, multifaceted, and personalized nature. Existing work tackling these dimensions through specialized datasets and single-task systems often miss opportunities for scalability, cross-task transfer, and broader generalization. To address this gap, we curate Human Behavior Atlas, a unified benchmark of diverse behavioral tasks designed to support the development of foundation models for understanding psychological and social behaviors. Human Behavior Atlas comprises over 100,000 samples spanning text, audio, and visual modalities, covering tasks on affective states, cognitive states, pathologies, and social processes. Our unification efforts can reduce redundancy and cost, enable training to scale efficiently across tasks, and enhance generalization of behavioral features across domains. On Human Behavior Atlas, we train three models: Omnisapiens-7B SFT, Omnisapiens-7B BAM, and Omnisapiens-7B RL. We show that training on Human Behavior Atlas enables models to consistently outperform existing multimodal LLMs across diverse behavioral tasks. Pretraining on Human Behavior Atlas also improves transfer to novel behavioral datasets; with the targeted use of behavioral descriptors yielding meaningful performance gains. The benchmark, models, and codes can be found at: https://github.com/MIT-MI/humanbehavioratlas.

Developing a mobile system capable of generating responses based on stored user data is a crucial challenge. Since user data is stored in the form of Knowledge Graphs, the field of knowledge graph question answering (KGQA) presents a promising avenue towards addressing this problem. However, existing KGQA systems face two critical limitations that preclude their on-device deployment: resource constraints and the inability to handle data accumulation. Therefore, we propose MobileKGQA, the first on-device KGQA system capable of adapting to evolving databases with minimal resource demands. MobileKGQA significantly reduces computational overhead through embedding hashing. Moreover, it successfully adapts to evolving databases under resource constraints through a novel annotation generation method. Its mobile applicability is validated on the NVIDIA Jetson Orin Nano edge-device platform, achieving 20.3% higher performance while using only 30.4% of the energy consumed by the SOTA (state-of-the-art). On standard KGQA benchmarks, using just 7.2% of the computation and 9% of the parameters, MobileKGQA demonstrates performance that is empirically indistinguishable from the SOTA and outperforms baselines under distribution shift scenarios.

Geometry problem solving presents distinctive challenges in artificial intelligence, requiring exceptional multimodal comprehension and rigorous mathematical reasoning capabilities. Existing approaches typically fall into two categories: neural-based and symbolic-based methods, both of which exhibit limitations in reliability and interpretability. To address this challenge, we propose AutoGPS, a neuro-symbolic collaborative framework that solves geometry problems with concise, reliable, and human-interpretable reasoning processes. Specifically, AutoGPS employs a Multimodal Problem Formalizer (MPF) and a Deductive Symbolic Reasoner (DSR). The MPF utilizes neural cross-modal comprehension to translate geometry problems into structured formal language representations, with feedback from DSR collaboratively. The DSR takes the formalization as input and formulates geometry problem solving as a hypergraph expansion task, executing mathematically rigorous and reliable derivation to produce minimal and human-readable stepwise solutions. Extensive experimental evaluations demonstrate that AutoGPS achieves state-of-the-art performance on benchmark datasets. Furthermore, human stepwise-reasoning evaluation confirms AutoGPS's impressive reliability and interpretability, with 99\% stepwise logical coherence.

Human mobility generation aims to synthesize plausible trajectory data, which is widely used in urban system research. While Large Language Model-based methods excel at generating routine trajectories, they struggle to capture deviated mobility during large-scale societal events. This limitation stems from two critical gaps: (1) the absence of event-annotated mobility datasets for design and evaluation, and (2) the inability of current frameworks to reconcile competitions between users' habitual patterns and event-imposed constraints when making trajectory decisions. This work addresses these gaps with a twofold contribution. First, we construct the first event-annotated mobility dataset covering three major events: Typhoon Hagibis, COVID-19, and the Tokyo 2021 Olympics. Second, we propose ELLMob, a self-aligned LLM framework that first extracts competing rationales between habitual patterns and event constraints, based on Fuzzy-Trace Theory, and then iteratively aligns them to generate trajectories that are both habitually grounded and event-responsive. Extensive experiments show that ELLMob wins state-of-the-art baselines across all events, demonstrating its effectiveness.

Bioacoustics, the study of sounds produced by living organisms, plays a vital role in conservation, biodiversity monitoring, and behavioral studies. Many tasks in this field, such as species, individual, and behavior classification and detection, are well-suited to machine learning. However, they often suffer from limited annotated data, highlighting the need for a general-purpose bioacoustic encoder capable of extracting useful representations for diverse downstream tasks. Such encoders have been proposed before, but are often limited in scope due to a focus on a narrow range of species (typically birds), and a reliance on a single model architecture or training paradigm. Moreover, they are usually evaluated on a small set of tasks and datasets. In this work, we present a large-scale empirical study that covers aspects of bioacoustics that are relevant to research but have previously been scarcely considered: training data diversity and scale, model architectures and training recipes, and the breadth of evaluation tasks and datasets. We obtain encoders that are state-of-the-art on the existing and newly proposed benchmarks. We also identify what matters for training these encoders, such that this work can be extended when more data are available or better architectures are proposed. Specifically, across 26 datasets with tasks including species classification, detection, individual ID, and vocal repertoire discovery, we find that self-supervised pre-training followed by supervised post-training on a mixed bioacoustics + general-audio corpus yields the strongest in- and out-of-distribution performance. We show the importance of data diversity in both stages. To support ongoing research and applications, we release the model checkpoints as well as the Animal Vocalization Encoder library AVEX (an API for model loading and inference, and a Python-based system for training and evaluating bioacoustics representation learning models)

Automating AI research holds immense potential for accelerating scientific progress, yet current AI agents struggle with the complexities of rigorous, end-to-end experimentation. We introduce EXP-Bench, a novel benchmark designed to systematically evaluate AI agents on complete research experiments sourced from influential AI publications. Given a research question and incomplete starter code, EXP-Bench challenges AI agents to formulate hypotheses, design and implement experimental procedures, execute them, and analyze results. To enable the creation of such intricate and authentic tasks with high-fidelity, we design a semi-autonomous pipeline to extract and structure crucial experimental details from these research papers and their associated open-source code. With the pipeline, EXP-Bench curated 461 AI research tasks from 51 top-tier AI research papers. Evaluations of leading AI agents, such as OpenHands and IterativeAgent on EXP-Bench demonstrate partial capabilities: while scores on individual experimental aspects such as design or implementation correctness reach 20-35%, the success rate for complete, executable experiments was a mere 0.5%. By identifying these bottlenecks and providing realistic step-by-step experiment procedures, EXP-Bench serves as a vital tool for future AI agents to improve their ability to conduct AI research experiments.

One of the fundamental problems in digital agents is their lack of understanding of their environment. For instance, a web browsing agent may get lost in unfamiliar websites, uncertain what pages must be visited to achieve its goals. To address this, we propose Go-Browse, a method for automatically collecting diverse and realistic web agent data at scale through structured exploration of web environments. Go-Browse achieves efficient exploration by framing data collection as a graph search, enabling reuse of information across exploration episodes. We instantiate our method on the WebArena benchmark, collecting a dataset of 10K successful task-solving trajectories and 40K interaction steps across 100 URLs. Fine-tuning a 7B parameter language model on this dataset achieves a success rate of 21.7% on the WebArena benchmark, beating GPT-4o mini by 2.4% and exceeding current state-of-the-art results for sub-10B parameter models by 2.9%.

VLM-based mobile agents are increasingly popular due to their capabilities to interact with smartphone GUIs and XML-structured texts and to complete daily tasks. However, existing online benchmarks fail to obtain stable critical reward signals under dynamic environmental changes, and neglect the influence of noise components and interactive instructions. Offline benchmarks evaluate the agents through single-path trajectories, which stand in contrast to the inherently multi-solution characteristics of GUI tasks. To address these limitations, we introduce SMAN-Bench, a benchmark designed to evaluate agents under Single-path, Multi-path, Ambiguous, and Noisy task settings. We employ a slot-based instruction generation method to match templates with GUI trajectories from an existing, graph-structured, unlabeled mobile corpus. SMAN-Bench includes a common task split, with offline multi-path evaluation to assess the agent’s ability to obtain step rewards during task execution. It contains a noisy split based on pop-ups and ad apps, and a contaminated split named AITZ-Noise to simulate a realistic noisy environment. Furthermore, an ambiguous instruction split with preset Q&A interactions is released to evaluate the agent’s proactive interaction capabilities. Our evaluation covers mobile agent frameworks like AppAgent-v1, Mobile-Agent-v2, and Mobile-Agent-E, and includes both open-source and closed-source mobile fundamental models, as well as several multimodal reasoning models.

Subsampling significantly reduces the number of measurements, thereby streamlining data processing and transfer overhead, and shortening acquisition time across diverse real-world applications. The recently introduced Active Deep Probabilistic Subsampling (A-DPS) approach jointly optimizes both the subsampling pattern and the downstream task model, enabling instance- and subject-specific sampling trajectories and effective adaptation to new data at inference time. However, this approach does not fully leverage valuable dataset priors and relies on top-1 sampling, which can impede the optimization process. Herein, we enhance A-DPS by integrating a deterministic (fixed) prior-informed sampling pattern derived from the training dataset, along with group-based sampling via top-k sampling, to achieve more robust optimization—method we call Prior-aware and context-guided Group-based Active DPS (PGA-DPS). We also provide a theoretical analysis supporting improved optimization via group sampling, and validate this with empirical results. We evaluated PGA-DPS on three tasks: classification, image reconstruction, and segmentation, using the MNIST, CIFAR-10, fastMRI knee, and hyperspectral AeroRIT datasets, respectively. In every case, PGA-DPS outperformed A-DPS, DPS, and all other sampling methods.

Inferring ground truth from noisy, crowdsourced labels is a fundamental challenge in machine learning. For decades, the dominant paradigm has relied on dataset-specific parameter estimation, a non-scalable method that fails to transfer knowledge. Recent efforts toward universal aggregation models do not account for the structural and behavioral complexities of human-annotated crowdsourcing, resulting in poor real-world performance. To address this gap, we introduce CrowdFM, a foundation model for crowdsourced label aggregation. At its core, CrowdFM is a bipartite graph neural network that is pre-trained on a vast, domain-randomized synthetic dataset to learn diverse behavioral patterns. By leveraging a size-invariant initialization and attention-based message passing, it learns universal principles of collective intelligence and generalizes to new, unseen datasets. Extensive experiments on 22 real-world benchmarks show that our single, fixed model consistently matches or surpasses bespoke, per-dataset methods in both accuracy and efficiency. Furthermore, the representations learned by CrowdFM readily support diverse downstream applications, such as worker assessment and task assignment. Codes are available at https://github.com/liiuhaao/CrowdFM.

We introduce AgentSynth, a scalable and cost-efficient pipeline for automatically synthesizing high-quality tasks and trajectory datasets for generalist computer-use agents. Leveraging information asymmetry, AgentSynth constructs subtasks that are simple during generation but significantly more challenging when composed into long-horizon tasks, enabling the creation of over 6,000 diverse and realistic tasks. A key strength of AgentSynth is its ability to precisely modulate task complexity by varying the number of subtasks. Empirical evaluations show that state-of-the-art LLM agents suffer a steep performance drop, from 18\% success at difficulty level 1 to just 4\% at level 6, highlighting the benchmark's difficulty and discriminative power. Moreover, our pipeline achieves a low average cost of \$0.60 per trajectory, orders of magnitude cheaper than human annotations. Our code and data are available at https://github.com/sunblaze-ucb/AgentSynth

As AI agents expand into high-stakes domains like network system operations, evaluating their real-world reliability becomes increasingly critical. However, existing benchmarks risk contamination due to static design, show high statistical variance from limited dataset size, and fail to reflect the complexity of production environments. We present NetArena, a dynamic benchmark generation framework for network applications. NetArena introduces a novel abstraction and unified interface that generalize across diverse tasks, enabling dynamic benchmarking despite the heterogeneity of network workloads. At runtime, users can generate unlimited queries on demand. NetArena integrates with network emulators to measure correctness, safety, and latency during execution. We demonstrate NetArena on three representative applications and find that (1) NetArena significantly improves statistical reliability across AI agents, reducing confidence-interval overlap from 85% to 0, (2) agents achieve only 13–38% average performance (as low as 3%) for large-scale, realistic queries, and (3) it exposes more fine-grained behaviors that static, correctness-only benchmarks miss. NetArena also enables use cases such as SFT and RL fine-tuning on network system tasks. Code is available at https://github.com/Froot-NetSys/NetArena.

Building reliable computer-use agents requires grounding: accurately connecting natural language instructions to the correct on-screen elements. While large datasets exist for web and mobile interactions, high-quality resources for desktop environments are limited. To address this gap, we introduce GroundCUA, a large-scale desktop grounding dataset built from expert human demonstrations. It covers 87 applications across 12 categories and includes 56K screenshots, with every on-screen element carefully annotated for a total of over 3.56M human-verified annotations. From these demonstrations, we generate diverse instructions that capture a wide range of real-world tasks, providing high-quality data for model training. Using GroundCUA, we develop the GroundNext family of models that map instructions to their target UI elements. At both 3B and 7B scales, GroundNext achieves state-of-the-art results across five benchmarks using supervised fine-tuning, while requiring less than one-tenth the training data of prior work. Reinforcement learning post-training further improves performance, and when evaluated in an agentic setting on the OSWorld benchmark using o3 as planner, GroundNext attains comparable or superior results to models trained with substantially more data. These results demonstrate the critical role of high-quality, expert-driven datasets in advancing general-purpose computer-use agents.

Recent advances in Large Reasoning Models (LRMs) have demonstrated strong performance on complex tasks through long Chain-of-Thought (CoT) reasoning. However, their lengthy outputs increase computational costs and may lead to overthinking, raising challenges in balancing reasoning effectiveness and efficiency. Current solutions often compromise reasoning quality or require extensive resources. In this paper, we investigate how to reduce the generation length of LRMs with limited tuning. We analyze generation path distributions and filter generated trajectories through difficulty estimation. Subsequently, we analyze the convergence characteristics of various preference optimization objectives under a unified Bradley-Terry loss based framework. Based on the analysis, we propose Length Controlled Preference Optimization (LCPO) that directly balances the implicit reward related to NLL loss. LCPO can effectively learn length preference with limited data and training. Extensive experiments demonstrate that our method significantly reduces the average output length of LRMs by over 50\% across multiple benchmarks while maintaining the reasoning performance. Our work highlights the potential for computationally efficient approaches in guiding LRMs toward efficient reasoning.

Information tasks such as writing surveys or analytical reports require complex search and reasoning, and have recently been grouped under the umbrella of deep research --- a term also adopted by recent models targeting these capabilities. Despite growing interest, the scope of the deep research task remains underdefined and its distinction from other reasoning-intensive problems is poorly understood. In this paper, we propose a formal characterization of the deep research (DR) task and introduce a benchmark to evaluate the performance of DR systems. We argue that the core defining feature of deep research is not the production of lengthy report-style outputs, but rather the high fan-out over concepts required during the search process, i.e., broad and reasoning-intensive exploration. To enable objective evaluation, we define DR using an intermediate output representation that encodes key claims uncovered during search—separating the reasoning challenge from surface-level report generation. Based on this formulation, we propose a benchmark LiveDRBench with 100 challenging tasks over scientific topics (e.g., datasets, materials discovery, prior art search) and public interest events (e.g., flight incidents, movie awards). Across state-of-the-art DR systems, F1 score ranges between 0.02 and 0.72 for any sub-category. OpenAI's model performs the best with an overall F1 score of 0.55. Analysis of the reasoning traces reveals that systems cover only about half of the necessary search queries, with proprietary models issuing broader and and deeper queries than open source models, highlighting gaps in both coverage and reasoning depth. The benchmark is available at this https URL.

Recent work has shown that equivariant policy networks can achieve strong performance on robot manipulation tasks with limited human demonstrations. However, existing equivariant methods typically require structured inputs, such as 3D point clouds or top-down camera views, which prevents their use in low-cost setups or dynamic environments. In this work, we propose the first $\mathrm{SE}(3)$-equivariant policy learning framework that operates with only RGB image observations. The key insight is to treat image-based data as collections of rays that, unlike 2D pixels, transform under 3D roto-translations. Extensive experiments in both simulation with diverse robot configurations and real-world settings demonstrate that our method consistently surpasses strong baselines in both performance and efficiency.

Bayesian optimization (BO) is a powerful approach for black-box optimization, and in many real-world problems, domain experts possess valuable prior knowledge about promising regions of the search space. However, existing prior-informed BO methods are often overly complex, tied to specific acquisition functions, or highly sensitive to inaccurate priors. We propose DynMeanBO, a simple and general framework that incorporates expert priors into the Gaussian process mean function with a dynamic decay mechanism. This design allows BO to exploit expert knowledge in the early stages while gradually reverting to standard BO behavior, ensuring robustness against misleading priors while retaining the exploratory behavior of standard BO. DynMeanBO is broadly compatible with acquisition functions, introduces negligible computational cost, and comes with convergence guarantees under Expected Improvement and Upper Confidence Bound. Experiments on synthetic benchmarks and hyperparameter optimization tasks show that DynMeanBO accelerates convergence with informative priors and remains robust under biased ones.

Diffusion models have demonstrated remarkable image generation capabilities, but their performance heavily relies on sampling guidance such as classifier-free guidance (CFG). While sampling guidance significantly enhances image quality, it requires two forward passes at every denoising step, leading to substantial computational overhead. Existing approaches mitigate this cost through distillation, training a student network to learn the guided predictions. In contrast, we take a distinct approach by refining the initial Gaussian noise, a critical yet under-explored factor in the diffusion-based generation pipelines. We introduce a noise refinement framework, NoiseRefine, where a refining network is trained to minimize the difference between images generated by unguided sampling from the refined noise and those produced by guided sampling from the input Gaussian noise. This simple approach demonstrates that images from the refined noise alleviate artifacts and mitigate structural collapse, achieving significantly higher quality than those generated from pure Gaussian noise without modifying the diffusion model, thereby preserving its prior knowledge and compatibility with finetuned or timestep distilled variants. Beyond its practical benefits, we provide an in-depth analysis of refined noise, offering insights into its role in the denoising process and its interaction with guidance. Our findings suggest that structured noise initialization is key to efficient and high-fidelity image synthesis. Project page: https://cvlab-kaist.github.io/NoiseRefine/

While diffusion models have achieved remarkable performance in image generation, they often struggle with the imbalanced datasets frequently encountered in real-world applications, resulting in significant performance degradation on minority classes. In this paper, we identify model capacity allocation as a key and previously underexplored factor contributing to this issue, providing a perspective that is orthogonal to existing research. Our empirical experiments and theoretical analysis reveal that majority classes monopolize an unnecessarily large portion of the model's capacity, thereby restricting the representation of minority classes. To address this, we propose Capacity Manipulation (CM), which explicitly reserves model capacity for minority classes. Our approach leverages a low-rank decomposition of model parameters and introduces a capacity manipulation loss to allocate appropriate capacity for capturing minority knowledge, thus enhancing minority class representation. Extensive experiments demonstrate that CM consistently and significantly improves the robustness of diffusion models on imbalanced datasets, and when combined with existing methods, further boosts overall performance.

RL with Verifiable Rewards (RLVR) has emerged as a promising paradigm for improving the reasoning abilities of large language models (LLMs). Current methods rely primarily on policy optimization frameworks like PPO and GRPO, which follow generalized policy iteration that alternates between evaluating the current policy's value and improving the policy based on evaluation. While effective, they often suffer from training instability and diversity collapse, requiring complex heuristic tricks and careful tuning. We observe that standard RLVR in math reasoning can be formalized as a specialized finite-horizon Markov Decision Process with deterministic state transitions, tree-structured dynamics, and binary terminal rewards. Though large in scale, the underlying structure is simpler than general-purpose control settings for which popular RL algorithms (e.g., PPO) were developed, suggesting that several sophisticated techniques in existing methods may be reduced or even omitted. Based on this insight, we prove a surprising result: the optimal action can be recovered from the Q-function of a fixed uniformly random policy, thereby bypassing the generalized policy iteration loop and its associated heuristics. We introduce \underline{\textbf{R}}andom P\underline{\textbf{o}}licy \underline{\textbf{V}}aluation for Div\underline{\textbf{e}}rse \underline{\textbf{R}}easoning (ROVER) to translate this principle into a practical and scalable algorithm for LLM math reasoning, a minimalist yet highly effective RL method that samples actions from a softmax over these uniform-policy Q-values. ROVER preserves diversity throughout training, allowing sustained exploration of multiple valid pathways. Across multiple base models and standard math reasoning benchmarks, ROVER demonstrates superior performance in both \textbf{quality} (\textbf{+8.2} on pass@1, \textbf{+16.8} on pass@256) and \textbf{diversity} (\textbf{+20.5\%}), despite its radical simplification compared to strong, complicated existing methods.

The rapid progress of visual autoregressive (VAR) models has brought new opportunities for text-to-image generation, but also heightened safety concerns. Existing concept erasure techniques, primarily designed for diffusion models, fail to generalize to VARs due to their next-scale token prediction paradigm. In this paper, we first propose a novel VAR Erasure framework VARE that enables stable concept erasure in VAR models by leveraging auxiliary visual tokens to reduce fine-tuning intensity. Building upon this, we introduce S-VARE, a novel and effective concept erasure method designed for VAR, which incorporates a filtered cross entropy loss to precisely identify and minimally adjust unsafe visual tokens, along with a preservation loss to maintain semantic fidelity, addressing the issues such as language drift and reduced diversity introduce by na\"ive fine-tuning. Extensive experiments demonstrate that our approach achieves surgical concept erasure while preserving generation quality, thereby closing the safety gap in autoregressive text-to-image generation by earlier methods.

Referring Image Segmentation (RIS) aims to segment the object in an image uniquely referred to by a natural language expression. However, RIS training often contains hard-to-align and instance-specific visual signals; optimizing on such pixels injects misleading gradients and drives the model in the wrong direction. By explicitly estimating pixel-level vision–language alignment, the learner can suppress low-alignment regions, concentrate on reliable cues, and acquire more generalizable alignment features. In this paper, we propose Alignment-Aware Masked Learning (AML), a simple yet effective training strategy that quantifies region–referent alignment (PMME) and filters out unreliable pixels during optimization (AFM). Specifically, each sample first computes a similarity map between visual and textual features, and then masks out pixels falling below an adaptive similarity threshold, thereby excluding poorly aligned regions from the training process. AML does not require architectural changes and incurs no inference overhead, directing attention to the areas aligned with the textual description. Experiments on the RefCOCO (vanilla/+/g) datasets show that AML achieves state-of-the-art results across all 8 splits, and beyond improving RIS performance, AML also enhances the model’s robustness to diverse descriptions and scenarios.

Active reasoning requires large language model (LLM) agents to interact with external sources and strategically gather information to solve problems in multiple turns. Central to this process is belief tracking: maintaining an accurate representation of the underlying state and uncertainty in understanding and solving the problem. However, due to limited reasoning capabilities, LLM-based agents often suffer belief deviation: their internal beliefs drift from the true problem state, leading to loss of state awareness and uninformative or repetitive actions. Once this happens, errors compound in the trajectories used for reinforcement learning (RL), leading to misattributed credits and limited exploration. To address this issue, we propose to track belief deviation and develop $\mathbf{T^3}$, a simple yet principled method that detects excessive deviation and truncates training trajectories to suppress uninformative tail effects. Hence, $\mathbf{T^3}$ preserves credits for informative prefixes and systematically improves policy optimization. Across 5 challenging tasks, $\mathbf{T^3}$ consistently enhances training stability and yields performance gains of up to 30 points while cutting token cost by up to 34%. These results highlight belief control as a key principle for building robust LLM agents capable of active reasoning.

Uncertainty quantification (UQ) is essential for deploying deep neural networks in safety-critical settings. Although methods like Deep Ensembles achieve strong UQ performance, their high computational and memory costs hinder scalability to large models. We introduce Hydra Ensembles, an efficient transformer-based ensemble that prunes attention heads to create diverse members and merges them via a new multi-head attention with grouped fully-connected layers. This yields a compact model with inference speed close to a single network, matching or surpassing Deep Ensembles in UQ performance without retraining from scratch. We also provide an in-depth analysis of pruning, showing that naive approaches can harm calibration, whereas Hydra Ensembles preserves robust uncertainty. Experiments on image and text classification tasks, with various architectures, show consistent gains over Deep Ensembles. Remarkably, in zero-shot classification on ImageNet-1k, our approach surpasses state of the art methods, even without requiring additional training.

Recent advances in multimodal large language models (MLLMs) have catalyzed transformative progress in affective computing, enabling models to exhibit emergent emotional intelligence. Despite substantial methodological progress, current emotional benchmarks remain limited, as it is still unknown: (a) the generalization abilities of MLLMs across distinct scenarios, and (b) their reasoning capabilities to identify the triggering factors behind emotional states. To bridge these gaps, we present MME-Emotion, a systematic benchmark that assesses both emotional understanding and reasoning capabilities of MLLMs, enjoying scalable capacity, diverse settings, and unified protocols. As the largest emotional intelligence benchmark for MLLMs, MME-Emotion contains over 6,000 curated video clips with task-specific questioning-answering (QA) pairs, spanning broad scenarios to formulate eight emotional tasks. It further incorporates a holistic evaluation suite with hybrid metrics for emotion recognition and reasoning, analyzed through a multi-agent system framework. Through a rigorous evaluation of 20 advanced MLLMs, we uncover both their strengths and limitations, yielding several key insights: (1) Current MLLMs exhibit unsatisfactory emotional intelligence, with the best-performing model achieving only $39.3\%$ recognition score and $56.0\%$ Chain-of-Thought (CoT) score on our benchmark. (2) Generalist models (\emph{e.g.}, Gemini-2.5-Pro) derive emotional intelligence from generalized multimodal understanding capabilities, while specialist models (\emph{e.g.}, R1-Omni) can achieve comparable performance through domain-specific post-training adaptation. By introducing MME-Emotion, we hope that it can serve as a foundation for advancing MLLMs' emotional intelligence in the future.

Post-Training Multimodal Large Language Models (MLLMs) to build interactive agents holds promise across domains such as computer-use, web navigation, and robotics. A key challenge in scaling such post-training is lack of high-quality downstream agentic task datasets with tasks that are diverse, feasible, and verifiable. Existing approaches for task generation rely heavily on human annotation or prompting MLLM with limited downstream environment information, which is either costly or poorly scalable as it yield tasks with limited coverage. To remedy this, we present AutoPlay, a scalable pipeline for task generation that explicitly explores interactive environments to discover possible interactions and current state information to synthesize environment-grounded tasks. AutoPlay operates in two stages: (i) an exploration phase, where an MLLM explorer agent systematically uncovers novel environment states and functionalities, and (ii) a task generation phase, where a task generator leverages exploration trajectories and a set of task guideline prompts as context to synthesize diverse, executable, and verifiable tasks. We show AutoPlay generates $20$k tasks across $20$ Android applications and $10$k tasks across 13 applications Ubuntu applications to train mobile-use and computer-use agents. AutoPlay generated tasks enable large-scale task demonstration synthesis without human annotation by employing an MLLM task executor and verifier. This data enables training MLLM-based UI agents that improve success rates up to $20.0\%$ on mobile-use and $10.9\%$ on computer-use scenarios. In addition, AutoPlay generated tasks combined with MLLM verifier-based rewards enable scaling reinforcement learning training of UI agents, leading to an additional $5.7\%$ gain. coverage. These results establish AutoPlay as a scalable approach for post-training capable MLLM agents reducing reliance on human annotation.

Adjuvants play a critical role in modulating immune responses and are central to the development of vaccines and immunotherapies. Yet progress in this field is constrained by data scarcity and incomplete understanding of mechanisms of action, which limit the transition from experience-based design to AI-driven approaches. To address these challenges, we present the first benchmark dedicated to adjuvants, constructed in an open-ended Q&amp;A format and annotated by domain experts. The benchmark comprises 1,294 Q&amp;A pairs and 1,364 formal descriptions, providing a resource for evaluating general-purpose multimodal large language models (MLLMs) and for developing domain-specific systems. We systematically assess 11 closed-source and 18 open-source MLLMs across dimensions including domain-specific Q&amp;A, hallucination rejection, data generation, and instruction following. Results indicate that OpenAI-o1 (STS = 0.7495, LLM Score = 7.7) and DeepSeek-R1 (STS = 0.7415, LLM Score = 7.7) achieved the strongest performance among closed- and open-source models, respectively. In addition, we introduce a formal description framework for representing adjuvant design principles and immune mechanisms as structured abstractions, which can serve as building blocks for future domain-specialized MLLMs. Overall, this work provides a first step toward systematically integrating MLLMs into adjuvant research by offering a dedicated benchmark, comparative evaluation of existing models, and a formal foundation for future development. Data and code will be released at https://github.com/banjiuyufen/Adjuvant-Benchmark.

Large reasoning models (LRMs) trained with Reinforcement Learning with Verifiable Rewards (RLVR) have achieved remarkable progress on complex reasoning tasks. However, RLVR heavily relies on on-policy rollout generation, whose cost grows rapidly with rollout length and model size, eventually becoming the training bottleneck. Our empirical analysis reveals that independent rollouts for the same query often share similar early steps, indicating substantial redundancy. To address this, we propose Pros (Prefix Reuse for On-policy Sampling), a paradigm that reuses promising prefixes of historical rollouts in RLVR training. Pros appends these self-generated partial rollouts to the original queries to form Augmented Queries, which are then used as regular training inputs in subsequent iterations, thereby reducing redundant computation. To select training batch from augmented queries, Pros adopts a hierarchical Bayesian model to estimate their pass rates and prioritize those with the highest reward uncertainty. Experiments across diverse settings show that Pros consistently improves training efficiency and achieves higher accuracy than strong baselines. These results highlight Pros as a practical path toward scalable and compute-efficient RLVR.

Diffusion-based generative models have recently achieved state-of-the-art performance in high-fidelity image synthesis. These models learn a sequence of denoising transition kernels that gradually transform a simple prior distribution into a complex data distribution. However, requiring many transitions not only slows down sampling but also accumulates approximation errors. We introduce the Accelerator-Corrector Sampler (AC-Sampler), which accelerates and corrects diffusion sampling without fine-tuning. It generates samples directly from intermediate timesteps using the Metropolis–Hastings (MH) algorithm while correcting them to target the true data distribution. We derive a tractable density ratio for arbitrary timesteps with a discriminator, enabling computation of MH acceptance probabilities. Theoretically, our method yields samples better aligned with the true data distribution than the original model distribution. Empirically, AC-Sampler achieves FID 2.38 with only 15.8 NFEs, compared to the base sampler’s FID 3.23 with 17 NFEs on unconditional CIFAR-10. On CelebA-HQ 256×256, it attains FID 6.6 with 98.3 NFEs. AC-Sampler can be combined with existing acceleration and correction techniques, demonstrating its flexibility and broad applicability. Our code is available at \href{https://github.com/aailab-kaist/AC-Sampler}{https://github.com/aailab-kaist/AC-Sampler.}

Audio is a fundamental modality for analyzing speech, music, and environmental sounds. While pretrained audio models have significantly advanced audio understanding, they remain fragile in real-world scenarios where data distributions evolve over time. In this work, we present the first systematic benchmark for audio continual learning (CL) with pretrained models (PTMs) and provide a comprehensive analysis of its unique challenges. Unlike in the vision domain where parameter-efficient fine-tuning (PEFT) has proven effective for CL, directly applying such strategies to audio leads to poor performance. This is due to a fundamental property of audio backbones: they emphasize low-level spectral details rather than structured semantics, resulting in severe upstream–downstream misalignment. Through extensive empirical analysis, we identify a promising technical route based on analytic classifiers with first-session adaptation (FSA), but also uncover two major limitations: representation saturation in coarse-grained scenarios and representation shifts in fine-grained scenarios. To address these challenges, we propose PACE, an innovative method that improves FSA via a regularized analytic classifier and introduces multi-session adaptation through adaptive subspace-orthogonal PEFT for better semantic alignment. Additionally, we design spectrogram-based boundary-aware perturbations to mitigate representation overlap and improve stability. Experiments across six diverse audio CL benchmarks demonstrate that PACE substantially outperforms state-of-the-art baselines, representing a significant step toward robust and scalable audio CL with PTMs.

3D object editing is essential for interactive content creation in gaming, animation, and robotics, yet current approaches remain inefficient, inconsistent, and often fail to preserve unedited regions. Most methods rely on editing multi-view renderings followed by reconstruction, which introduces artifacts and limits practicality. To address these challenges, we propose \textbf{Nano3D}, a training-free framework for precise and coherent 3D object editing without masks. Nano3D integrates FlowEdit into TRELLIS to perform localized edits guided by front-view renderings, and further introduces region-aware merging strategies, Voxel/Slat-Merge, which adaptively preserve structural fidelity by ensuring consistency between edited and unedited areas. Experiments demonstrate that Nano3D achieves superior 3D consistency and visual quality compared with existing methods. Based on this framework, we construct the first large-scale 3D editing datasets \textbf{Nano3D-Edit-100k}, which contains over 100,000 high-quality 3D editing pairs. This work addresses long-standing challenges in both algorithm design and data availability, significantly improving the generality and reliability of 3D editing, and laying the groundwork for the development of feed-forward 3D editing models.

Diffusion model distillation has emerged as a powerful technique for creating efficient few-step and single-step generators. Among these, Distribution Matching Distillation (DMD) and its variants stand out for their impressive performance, which is widely attributed to their core mechanism of matching the student's output distribution to that of a pre-trained teacher model. In this work, we challenge this conventional understanding. Through a rigorous decomposition of the DMD training objective, we reveal that the primary driver of few-step generation is not the distribution matching term, but a previously overlooked component we identify as \textit{\textbf{C}FG \textbf{A}ugmentation} (\textbf{CA}). We demonstrate that this term acts as the core "engine" of distillation, while the \textbf{D}istribution \textbf{M}atching (\textbf{DM}) term functions as a "regularizer" that ensures training stability and mitigates artifacts. We further validate this decoupling by demonstrating that while the DM term is a highly effective regularizer, it is not unique; simpler non-parametric constraints or GAN-based objectives can serve the same stabilizing function, albeit with different trade-offs. This decoupling of labor between CA and DM also allows a more principled analysis of the properties of both terms, leading to a more systematic and in-depth understanding. This new understanding enables us to propose principled modifications to the distillation process, such as decoupling the noise schedules for the engine and the regularizer, leading to further performance gains.

We introduce PAT3D, the first physics-augmented text-to-3D scene generation framework that integrates vision–language models with physics-based simulation to produce physically plausible, simulation-ready, and intersection-free 3D scenes. Given a text prompt, PAT3D generates 3D objects, infers their spatial relations, and organizes them into a hierarchical scene tree, which is then converted into initial simulation conditions. A rigid-body simulator ensures realistic object interactions under gravity, driving the scene toward static equilibrium without interpenetrations. To further enhance scene quality, we introduce a simulation-in-the-loop optimization procedure that guarantees physical stability and non-intersection, while improving semantic consistency with the input prompt. Experiments demonstrate that PAT3D substantially outperforms prior approaches in physical plausibility, semantic accuracy, and visual quality. Beyond high-quality generation, PAT3D uniquely enables simulation-ready 3D scenes for downstream tasks such as scene editing and robotic manipulation. Our code and data are available at https://github.com/Simulation-Intelligence/PAT3D.

Large language models (LLMs) with advanced step-by-step reasoning capabilities have achieved remarkable performance in complex problem-solving through chain-of-thought (CoT) reasoning. However, uniformly applying elaborate reasoning to all queries creates substantial computational inefficiency, as many problems can be solved directly without extended reasoning chains. Current hybrid reasoning approaches rely on static hyperparameters and heuristic single-objective optimization, leading to suboptimal trade-offs and poor adaptation to varying task complexities. To address these limitations, we propose a multi-objective adaptive generation optimization (MAGO) framework, which integrates multi-objective optimization with dynamic adaptive weighting into hybrid reasoning. MAGO optimizes three competing objectives simultaneously: accuracy (maintaining solution correctness), efficiency (minimizing computational costs through appropriate mode selection), and calibration (ensuring mode selection aligns with model capabilities). The framework employs Pareto frontier maintenance with correlation-aware optimization to automatically explore the full trade-off space, avoiding the spatial constraints that limit fixed-weight approaches to narrow cone-shaped regions of the objective space. Unlike existing methods requiring manual hyperparameter tuning, MAGO's Pareto optimization dynamically adapts weights based on task complexity and training progress, achieving principled and adaptive decision-making across varying problem complexities. Comprehensive evaluation on mathematical reasoning benchmarks including AIME, Minerva Algebra, MATH-500, and GSM-8K shows $2.2\times$ to $3\times$ token-efficiency gains and relative accuracy improvements of $0.6\%$ to $9.4\%$ over heuristic baselines, while remaining competitive with the strongest task-specific models. Additional experiments on CommonsenseQA and MedQA further confirm the framework's generalizability beyond mathematics, achieving $1$ to $2\%$ higher accuracy and approximately $2\times$ efficiency improvement without additional fine-tuning.

Large Reasoning Models (LRMs) have shown remarkable capabilities in solving complex problems through reinforcement learning (RL), particularly by generating long reasoning traces. However, these extended outputs often exhibit substantial redundancy, which limits the efficiency of LRMs. In this paper, we investigate RL-based approaches to promote reasoning efficiency. Specifically, we first present a unified framework that formulates various efficient reasoning methods through the lens of length-based reward shaping. Building on this perspective, we propose a novel Length-bAsed StEp Reward shaping method (LASER), which employs a step function as the reward based on target length. LASER surpasses previous methods, achieving a superior trade-off between performance and efficiency. Next, we further extend LASER based on two key intuitions: (1) The reasoning behavior of the model evolves dynamically during training, necessitating reward specifications that are also adaptive and dynamic; (2) Rather than uniformly encouraging shorter or longer chains of thought (CoT), we posit that length-based reward shaping should be difficulty-aware i.e., it should penalize lengthy CoTs more for easy queries. This approach is expected to facilitate a combination of fast and slow thinking, leading to a better overall tradeoff. The resulting method is termed LASER-D (Dynamic and Difficulty-aware). Experiments on five open-weight models from 1.5B to 32B demonstrate that our approach significantly enhances both reasoning performance and response length efficiency. For instance, LASER-D achieves a 5.3 improvement on AIME2024 while reducing token usage by 64%. Further analysis reveals that our RL-based compression produces more concise reasoning patterns with less redundant ``self-reflections''. All resources (Models, Code, Data) are available at https://github.com/hkust-nlp/Laser.

We introduce GDPval, a benchmark evaluating AI model capabilities on real-world economically valuable knowledge-work tasks. GDPval covers the majority of Department of Labor O*NET Work Activities for 44 occupations across the top 9 sectors contributing to U.S. GDP (Gross Domestic Product). Tasks are constructed from the representative work of industry professionals with an average of 14 years of experience. We find that frontier model performance on GDPval is improving roughly linearly over time, and that the current best frontier models are approaching industry experts in deliverable quality. We analyze the potential for frontier models, when paired with human oversight, to perform GDPval tasks cheaper and faster than unaided experts. We also demonstrate that increased reasoning effort, increased task context, and increased scaffolding improves model performance on GDPval. Finally, we open-source a gold subset of 220 tasks and provide a public automated grading service to facilitate future research in understanding real-world model capabilities.

In-context learning (ICL) enables pre-trained transformers (TFs) to perform few-shot learning across diverse tasks, fostering growing research into its underlying mechanisms. However, existing studies typically assume a causally-sufficient regime, overlooking spurious correlations and prediction bias introduced by hidden confounders (HCs). As HC commonly exists in real-world cases, current ICL understandings may not align with actual data structures. To fill this gap, we contribute the pioneer theoretical analysis towards a novel problem setup termed as ICL-HC, which offers understanding the effect of HC on the pre-training of TFs and the following ICL prediction. Our theoretical results entail that pre-trained TFs exhibits certain prediction bias with proportional to the confounding strength. To migrate such prediction bias, we further propose a gradient-free debiasing method named Double-Debiasing (DDbias) by collecting and prompting with extremely few unconfounded examples, correcting pre-trained TFs with unbiased ICL predictions. Extensive experiments on regression tasks across diverse designs of the TF architectures and data generation protocols verify both our theoretical results and the effectiveness of the proposed DDbias method.

Unsupervised domain adaptive hashing transfers knowledge from labeled source domains to unlabeled target domains, addressing domain shift challenges in real-world retrieval tasks. Existing methods face two critical limitations: target domain noise severely misleads model training, and indiscriminate domain alignment strategies treat all target samples equally, potentially distorting essential feature structures. We propose an uncertainty-aware adaptive hashing approach that addresses these challenges through a hierarchical conformal calibration framework. At the semantic level, we employ conformal inference to generate confidence prediction sets, replacing single pseudo-labels with set-based predictions whose sizes directly quantify sample reliability for weighted pseudo-label learning and domain alignment. This enables the model to focus on reliable samples while suppressing noise. At the representation level, we predict the stability of individual hash bits, where bit-level confidence guides a robust weighted quantization loss and enables dynamic weighted Hamming distance during retrieval, fundamentally enhancing hash code quality and retrieval robustness. Through this hierarchical calibration mechanism, our method achieves more adaptive and robust cross-domain knowledge transfer. Extensive experiments on multiple benchmark datasets demonstrate significant improvements over existing approaches, validating the effectiveness and superiority of our method.

Lane-level navigation is critical for geographic information systems and navigation-based tasks, offering finer-grained guidance than road-level navigation by standard definition (SD) maps. However, it currently relies on expansive global HD maps that cannot adapt to dynamic road conditions. Recently, online perception (OP) maps have become research hotspots, providing real-time geometry as an alternative, but lack the global topology needed for navigation. To address these issues, Online Navigation Refinement (ONR), a new mission is introduced that refines SD-map-based road-level routes into accurate lane-level navigation by associating SD maps with OP maps. The map-to-map association to handle many-to-one lane-to-road mappings under two key challenges: (1) no public dataset provides lane-to-road correspondences; (2) severe misalignment from spatial fluctuations, semantic disparities, and OP map noise invalidates traditional map matching. For these challenges, We contribute: (1) Online map association dataset (OMA), the first ONR benchmark with 30K scenarios and 2.6M annotated lane vectors; (2) MAT, a transformer with path-aware attention to aligns topology despite spatial fluctuations and semantic disparities and spatial attention for integrates noisy OP features via global context; and (3) NR P-R, a metric evaluating geometric and semantic alignment. Experiments show that MAT outperforms existing methods at 34 ms latency, enabling low-cost and up-to-date lane-level navigation.

Scaling imitation learning to high-DoF whole-body robots is fundamentally constrained by the scarcity of expert demonstrations. In contrast, large amounts of suboptimal data are readily available and offer a practical way to alleviate supervision bottlenecks in real-world whole-body control. However, leveraging such data introduces two central challenges: how to extract informative signals from imperfect trajectories, and how to cope with the increased learning complexity induced by high-dimensional control. To overcome this, we propose HVD (Hierarchical Value-Decomposed Offline Reinforcement Learning). The offline RL formulation provides principled data selection over suboptimal datasets, enabling the policy to prioritize high-value behaviors while down-weighting harmful ones. Complementarily, hierarchical value decomposition organizes learning along the robot’s kinematic structure, improving credit assignment and reducing learning complexity in high-DoF systems. Built on a Transformer-based architecture, HVD supports multi-modal and multi-task learning, allowing flexible integration of diverse sensory inputs. To enable realistic evaluation and training, we further introduce WB-50, a 50-hour dataset of teleoperated and policy rollout trajectories annotated with rewards and preserving natural imperfections, including partial successes, corrections, and failures. Experiments show HVD significantly outperforms existing baselines in success rate across complex whole-body tasks. Our results suggest effective policy learning for high-DoF systems can emerge not from perfect demonstrations, but from structured learning over realistic, imperfect data. Our code is available at https://github.com/LAMDA-RL/HVD.

The fast-growing demands in using Large Language Models (LLMs) to tackle complex multi-step data science tasks create a emergent need for accurate benchmarking. There are two major gaps in existing benchmarks: (i) the lack of standardized, process-aware evaluation that captures instruction adherence and process fidelity, and (ii) the scarcity of accurately labeled training data. To bridge these gaps, we introduce DARE-bench, a benchmark designed for machine learning modeling and data science instruction following. Unlike many existing benchmarks that rely on human- or model-based judges, all tasks in DARE-bench have verifiable ground truth, ensuring objective and reproducible evaluation. To cover a broad range of tasks and support agentic tools, DARE-bench consists of 6,300 Kaggle-derived tasks and provides both large-scale training data and evaluation sets. Extensive evaluations show that even highly capable models such as gpt-o4-mini struggle to achieve good performance, especially in machine learning modeling tasks. Using DARE-bench training tasks for fine-tuning can substantially improve model performance. For example, supervised fine-tuning boosts Qwen3-32B’s accuracy by 1.83× and reinforcement learning boosts Qwen3-4B’s accuracy by more than 8×. These significant improvements verify the importance of DARE-bench both as an accurate evaluation benchmark and critical training data.

High dynamic range (HDR) video can be reconstructed from low dynamic range (LDR) sequences with alternating exposures. However, most existing methods overlook the degradations (e.g., noise and blur) in LDR frames, focusing only on the brightness and position differences between them. To address this gap, we propose DeAltHDR, a novel framework for high-quality HDR video reconstruction from degraded sequences. Our framework addresses two key challenges. First, noisy and blurry content complicate inter-frame alignment. To tackle this, we propose a flow-guided masked attention mechanism that leverages optical flow for a dynamic sparse cross-attention computation, achieving superior performance while maintaining efficiency. Notably, its controllable attention ratio allows for adaptive inference costs. Second, the lack of real-world paired data hinders practical deployment. We overcome this with a two-stage training paradigm: the model is first pre-trained on our newly introduced synthetic paired dataset and subsequently fine-tuned on unlabeled real-world videos via a proposed self-supervised method. Experiments show our method outperforms state-of-the-art ones. Code and data will be available at https://zhang-shuohao.github.io/DeAltHDR/.

Automatically generating interactive 3D environments is crucial for scaling up robotic data collection in simulation. While prior work has primarily focused on 3D asset placement, it often overlooks the physical relationships between objects (e.g., contact, support, balance, and containment), which are essential for creating complex and realistic manipulation scenarios such as tabletop arrangements, shelf organization, or box packing. Compared to classical 3D layout generation, producing complex physical scenes introduces additional challenges: (a) higher object density and complexity (e.g., a small shelf may hold dozens of books), (b) richer supporting relationships and compact spatial layouts, and (c) the need to accurately model both spatial placement and physical properties. To address these challenges, we propose PhyScensis, an LLM agent-based framework powered by a physics engine, to produce physically plausible scene configurations with high complexity. Specifically, our framework consists of three main components: an LLM agent iteratively proposes assets with spatial and physical predicates; a solver, equipped with a physics engine, realizes these predicates into a 3D scene; and feedback from the solver informs the agent to refine and enrich the configuration. Moreover, our framework preserves strong controllability over fine-grained textual descriptions and numerical parameters (e.g., relative positions, scene stability), enabled through probabilistic programming for stability and a complementary heuristic that jointly regulates stability and spatial relations. Experimental results show that our method outperforms prior approaches in scene complexity, visual quality, and physical accuracy, offering a unified pipeline for generating complex physical scene layouts for robotic manipulation.

Despite the empirical success of extensive, step-by-step reasoning in large multimodal models, long reasoning processes inevitably incur substantial computational overhead, i.e., in terms of higher token costs and increased response time, which undermines inference efficiency. In contrast, humans often employ sketch-style reasoning: a concise, goal-directed cognitive process that prioritizes salient information and enables efficient problem-solving. Inspired by this cognitive efficiency, we propose SketchThinker-R1, which incentivizes sketch-style reasoning ability in large multimodal models. Our method consists of three primary stages. In the Sketch-Mode Cold Start stage, we convert standard long reasoning process into sketch-style reasoning and finetune base multimodal model, instilling initial sketch-style reasoning capability. Next, we train SketchJudge Reward Model, which explicitly evaluates thinking process of model and assigns higher scores to sketch-style reasoning. Finally, we conduct Sketch-Thinking Reinforcement Learning under supervision of SketchJudge to further generalize sketch-style reasoning ability. Experimental evaluation on four benchmarks reveals that our SketchThinker-R1 achieves over 64% reduction in reasoning token cost without compromising final answer accuracy. Qualitative analysis further shows that sketch-style reasoning focuses more on key cues during problem solving.

Despite their remarkable success in complex tasks propelling widespread adoption, large language model based agents still face critical deployment challenges due to prohibitive latency and inference costs. While recent work has explored various methods to accelerate inference, existing approaches suffer from significant limitations: they either fail to preserve performance fidelity, require extensive offline training of router modules, or incur excessive operational costs. Moreover, they provide minimal user control over the tradeoff between acceleration and other performance metrics. To address these gaps, we introduce Dynamic Speculative Planning (DSP), an asynchronous online reinforcement learning framework that provides lossless acceleration with substantially reduced costs without requiring additional pre-deployment preparation. DSP explicitly optimizes a joint objective balancing end-to-end latency against dollar cost, allowing practitioners to adjust a single parameter that steers the system toward faster responses, cheaper operation, or any point along this continuum. Experiments on two standard agent benchmarks demonstrate that DSP achieves comparable efficiency to the fastest lossless acceleration method while reducing total cost by 30\% and unnecessary cost up to 60\%. Our code and data are available through https://github.com/guanyilin428/Dynamic-Speculative-Planning.

Apparel is a fundamental component of human appearance, making garment digitalization critical for digital human creation. However, sewing pattern creation traditionally relies on the intuition and extensive experience of skilled artisans. This manual bottleneck significantly hinders the scalability of digital garment creation. Existing generative approaches either operate as data replicators without intrinsic understanding of garment construction principles (e.g., diffusion models), or struggle with low-level regression of raw floating-point coordinates (e.g., Vision-Language Models). We present GarmentGPT, the first framework to operationalize latent space generation for sewing patterns. Our approach introduces a novel pipeline where a RVQ-VAE tokenizes continuous pattern boundary curves into discrete codebook indices. A fine-tuned Vision-Language Model then autoregressively predicts these discrete token sequences instead of regressing coordinates, enabling high-level compositional reasoning. This paradigm shift aligns generation with the knowledge-driven, symbolic reasoning capabilities of large language models. To address the data bottleneck for real-world applications, we develop a Data Curation Pipeline that synthesizes over one million photorealistic images paired with GarmentCode, and establish the Real-Garments Benchmark for comprehensive evaluation. Experiments demonstrate that GarmentGPT significantly outperforms existing methods on structured datasets (95.62\% Panel Accuracy, 81.84\% Stitch Accuracy), validating our discrete compositional paradigm's advantages. Code is available at \url{https://github.com/ChimerAI-MMLab/Garment-GPT}.

In this paper, we revisit stochastic gradient descent (SGD) with AdaGrad-type preconditioning. Our contributions are twofold. First, we develop a unified convergence analysis of SGD with adaptive preconditioning under anisotropic or matrix smoothness and noise assumptions. This allows us to recover state-of-the-art convergence results for several popular adaptive gradient methods, including AdaGrad-Norm, AdaGrad, and ASGO/One-sided Shampoo. In addition, we establish the fundamental connection between two recently proposed algorithms, Scion and DASGO, and provide the first theoretical guarantees for the latter. Second, we show that the convergence of methods like AdaGrad and DASGO can be provably accelerated beyond the best-known rates using Nesterov momentum. Consequently, we obtain the first theoretical justification that AdaGrad-type algorithms can simultaneously benefit from both diagonal preconditioning and momentum, which may provide an ultimate explanation for the practical efficiency of Adam.

Irregular multivariate time series (IMTS) are prevalent in critical domains like healthcare and finance, where accurate forecasting is vital for proactive decision-making. However, the asynchronous sampling and irregular intervals inherent to IMTS pose two core challenges for existing methods: (1) how to accurately represent the raw information of irregular time series without introducing data distortion, and (2) how to effectively capture the complex dynamic dependencies between observation points. To address these challenges, we propose the Adaptive Spatio-Temporal Graph Interaction (ASTGI) framework. Specifically, the framework first employs a Spatio-Temporal Point Representation module to encode each discrete observation as a point within a learnable spatio-temporal embedding space. Second, a Neighborhood-Adaptive Graph Construction module adaptively builds a causal graph for each point in the embedding space via nearest neighbor search. Subsequently, a Spatio-Temporal Dynamic Propagation module iteratively updates information on these adaptive causal graphs by generating messages and computing interaction weights based on the relative spatio-temporal positions between points. Finally, a Query Point-based Prediction module generates the final forecast by aggregating neighborhood information for a new query point and performing regression. Extensive experiments on multiple benchmark datasets demonstrate that ASTGI outperforms various state-of-the-art methods.

Videos captured in the wild often suffer from rain streaks, blur, and noise. In addition, even slight changes in camera pose can amplify cross-frame mismatches and temporal artifacts. Existing methods rely on optical flow or heuristic alignment, which are computationally expensive and less robust. To address these challenges, Lie groups provide a principled way to represent continuous geometric transformations, making them well-suited for enforcing spatial and temporal consistency in video modeling. Building on this insight, we propose DeLiVR, an efficient video deraining method that injects spatiotemporal Lie-group differential biases directly into attention scores of the network. Specifically, the method introduces two complementary components. First, a rotation-bounded Lie relative bias predicts the in-plane angle of each frame using a compact prediction module, which normalized coordinates are rotated and compared with base coordinates to achieve geometry-consistent alignment before feature aggregation. Second, a differential group displacement computes angular differences between adjacent frames to estimate a velocity. These biases are combined with temporal decay and a banded attention mask to emphasize short-range reliable relations while suppressing long-range noise. DeLiVR achieves sharper details, fewer rain remnants, and stronger temporal coherence on both synthetic and real rainy benchmarks. The code is publicly available at https://github.com/Shuning0312/ICLR-DeLiVR.

Recent advances in Large Language Model (LLM) compression, such as quantization and pruning, have achieved notable success. However, as these techniques gradually approach their limits, relying on a single method for further compression has become increasingly challenging. In this work, we explore an alternative solution by combining quantization and sparsity. This joint approach, though promising, introduces new difficulties due to the inherently conflicting requirements on weight distributions: quantization favors compact ranges, while pruning benefits from high variance. To attack this problem, we propose Optimal Brain Restoration (OBR), a general and training-free framework that aligns pruning and quantization by error compensation between both. OBR minimizes performance degradation on downstream tasks by building on a second-order Hessian objective, which is then reformulated into a tractable problem through surrogate approximation and ultimately reaches a closed-form solution via group error compensation. Experiments show that OBR incurs only a 1.4 perplexity degradation on Llama2-7B to enable aggressive W4A4KV4 quantization with 50% sparsity, delivering up to 4.72x speedup and 6.4x memory reduction compared to the FP16-dense baseline.

We present \textbf{Frequency-Aware Dynamic Gaussian Splatting (FAGS)}, a novel approach to mitigating motion blur in 4D reconstruction, particularly under novel viewpoints. This blur stems from a fundamental spectral conflict in existing methods, which struggle to \textbf{balance high-frequency rendering details with high-frequency motion.} FAGS addresses this challenge with two key innovations. First, we introduce a frequency-differentiated Gaussian kernel that refines the alpha-blending process of 3D Gaussian Splatting. By adaptively classifying Gaussians into two types—a slowly varying kernel for smooth, low-frequency regions and a sharp-transitioning kernel for high-frequency boundaries—our method explicitly separates representation responsibilities, preserving fine details without sacrificing continuity. Second, we propose a Fourier-Deformation Network that enhances motion expressiveness. This network employs high-frequency Fourier embeddings to capture diverse motion patterns by learning amplitudes across frequency components. To further improve accuracy, we integrate a frequency-aware gate in fusion module, which predicts and regulates the relative deformation of each Gaussian. Extensive experiments on both synthetic and real-world 4D benchmarks demonstrate that FAGS significantly reduces motion blur and enhances structural details, achieving state-of-the-art performance.

Existing research of 3D LLMs still struggles to achieve efficient and explainable reasoning, primarily due to the under-exploration of the mechanism of human-like scene-object grounded reasoning. This paper bridges the gap by presenting a novel framework. We first introduce a Chain-of-Thought reasoning framework in 3D scenes (SceneCOT), decoupling a complex reasoning task into simpler and manageable problems, and building corresponding visual clues based on multimodal expert modules. To enable such a framework, we build the first large-scale 3D scene Chain-of-Thought reasoning dataset, SceneCOT, including more than 190k high-quality data instances. Extensive experiments across various complex 3D scene reasoning benchmarks demonstrate that our new framework achieves state-of-the-art with clear interpretability. To our knowledge, this is the first attempt to successfully implement the COT technique for achieving human-like step-by-step reasoning for 3D scene understanding, where we show great potential in extending it to a wider range of 3D scene understanding scenarios.

Recent studies operationalize self-improvement through coding agents that edit their own codebases. They grow a tree of self-modifications through expansion strategies that favor higher software engineering benchmark performance, assuming that this implies more promising subsequent self-modifications. However, we identify a mismatch between the agent’s self-improvement potential (metaproductivity) and its coding benchmark performance, namely the Metaproductivity-Performance~Mismatch. Inspired by Huxley’s concept of clade, we propose a metric ($\mathrm{CMP}$) that aggregates the benchmark performances of the descendants of an agent as an indicator of its potential for self-improvement. We show that, in our self-improving coding agent development setting, access to the true CMP is sufficient to simulate how the Gödel Machine would behave under certain assumptions. We introduce the Huxley-G\"odel Machine (HGM), which, by estimating $\mathrm{CMP}$ and using it as guidance, searches the tree of self-modifications. On SWE-bench Verified and Polyglot, HGM outperforms prior self-improving coding agent development methods while using fewer allocated CPU hours. Last but not least, HGM demonstrates strong transfer to other coding datasets and LLMs. %large language models. The agent optimized by HGM on SWE-bench Verified with GPT-5 mini and evaluated on SWE-bench Lite with GPT-5 achieves human-level performance, matching the best officially checked results of human-engineered coding agents. Our code is publicly available at https://github.com/metauto-ai/HGM.

Existing feed-forward 3D Gaussian Splatting methods predict pixel-aligned primitives, leading to a quadratic growth in primitive count as resolution increases. This fundamentally limits their scalability, making high-resolution synthesis such as 4K intractable. We introduce LGTM (Less Gaussians, Texture More), a feed-forward framework that overcomes this resolution scaling barrier. By predicting compact Gaussian primitives coupled with per-primitive textures, LGTM decouples geometric complexity from rendering resolution. This approach enables high-fidelity 4K novel view synthesis without per-scene optimization, a capability previously out of reach for feed-forward methods, all while using significantly fewer Gaussian primitives. Project page: https://yxlao.github.io/lgtm/.

Leading language model (LM) providers like OpenAI and Anthopic allow customers to fine-tune frontier LMs for specific use cases. To prevent abuse, these providers apply filters to block fine-tuning on overtly harmful data. In this setting, we make three contributions: First, while past work has shown that safety alignment is superficial, we correspondingly demonstrate that existing fine-tuning attacks are "shallow" -- attacks target only the first several tokens of the model response, and consequently can be blocked by generating the first several response tokens with an aligned model. Second, we conceptually illustrate how to make attacks deeper by introducing a new fine-tuning attack that trains models to first refuse harmful requests before answering them; this ``refuse-then-comply" strategy bypasses shallow defenses and produces harmful responses that evade output filters. Third, we demonstrate the potency of our new fine-tuning attack by jailbreaking both open-source models equipped with defenses and production models, achieving attack success rates of 57% and 72% against GPT-4o and Claude Haiku, respectively. Our attack received a $2000 bug bounty from OpenAI and was acknowledged as a vulnerability by Anthropic.

With the rapid development of foundation video generation technologies, long video generation models have exhibited promising research potential thanks to expanded content creation space. Recent studies reveal that the goal of long video generation tasks is not only to extend video duration but also to accurately express richer narrative content within longer videos. However, due to the lack of evaluation benchmarks specifically designed for long video generation models, the current assessment of these models primarily relies on benchmarks with simple narrative prompts (e.g., VBench). To the best of our knowledge, our proposed NarrLV is the first benchmark to comprehensively evaluate the Narrative expression capabilities of Long Video generation models. Inspired by film narrative theory, (i) we first introduce the basic narrative unit maintaining continuous visual presentation in videos as Temporal Narrative Atom (TNA), and use its count to quantitatively measure narrative richness. Guided by three key film narrative elements influencing TNA changes, we construct an automatic prompt generation pipeline capable of producing evaluation prompts with a flexibly expandable number of TNAs. (ii) Then, based on the three progressive levels of narrative content expression, we design an effective evaluation metric using the MLLM-based question generation and answering framework. (iii) Finally, we conduct extensive evaluations on existing long video generation models and the foundation generation models that underpin them. Experimental results demonstrate that our metric aligns closely with human judgments. The derived evaluation outcomes reveal the detailed capability boundaries of current video generation models in narrative content expression.

Transformer-based architectures traditionally employ softmax to compute attention weights, which produces dense distributions over all tokens in a sequence. While effective in many settings, this density has been shown to be detrimental for tasks that demand precise focus on fixed-size patterns: as sequence length increases, non-informative tokens accumulate attention probability mass, leading to dispersion and representational collapse. We show in this paper that dynamically sparse attention mechanisms using $\alpha$-entmax can avoid these issues, due to their ability to assign exact zeros to irrelevant tokens. Furthermore, we introduce Adaptive-Scalable Entmax (ASEntmax), which endows $\alpha$-entmax with a learnable temperature parameter, allowing the attention distribution to interpolate between sparse (pattern-focused) and dense (softmax-like) regimes. Our empirical evaluation on synthetic tasks and language modeling demonstrates that ASEntmax substantially outperforms softmax, scalable softmax, and fixed-temperature $\alpha$-entmax baselines, achieving up to 1000$\times$ length extrapolation on synthetic benchmarks and superior long-context generalization on language modeling while preserving short-context performance, including better perplexity trends and higher retrieval accuracies at 8$\times$ training length.

Large reasoning models (LRMs) excel at a long chain of reasoning but often fail to faithfully follow instructions regarding output format, constraints, or specific requirements. We investigate whether this gap can be closed by integrating an instruction-tuned model (ITM) into an LRM. Analyzing their differences in parameter space, namely task vectors, we find that their principal subspaces are nearly orthogonal across key modules, suggesting a lightweight merging with minimal interference. However, we also demonstrate that naïve merges are fragile because they overlook the output format mismatch between LRMs (with explicit thinking and response segments) and ITMs (answers-only). We introduce RAIN-Merging (Reasoning-Aware Instruction-attention guided Null-space projection Merging), a gradient-free method that integrates instruction following while preserving thinking format and reasoning performance. First, with a small reasoning calibration set, we project the ITM task vector onto the null space of forward features at thinking special tokens, which preserves the LRM's structured reasoning mechanisms. Second, using a small instruction calibration set, we estimate instruction attention to derive module-specific scaling that amplifies instruction-relevant components and suppresses leakage. Across four instruction-following benchmarks and nine reasoning & general capability benchmarks, RAIN-Merging substantially improves instruction adherence while maintaining reasoning quality. The gains are consistent across model scales and architectures, translating to improved performance in agent settings.

Software issue localization, the task of identifying the precise code locations (files, classes, or functions) relevant to a natural language issue description (e.g., bug report, feature request), is a critical yet time-consuming aspect of software development. While recent LLM-based agentic approaches demonstrate promise, they often incur significant latency and cost due to complex multi-step reasoning and relying on closed-source LLMs. Alternatively, traditional code ranking models, typically optimized for query-to-code or code-to-code retrieval, struggle with the verbose and failure-descriptive nature of issue localization queries. To bridge this gap, we introduce SWERank, an efficient and effective retrieve-and-rerank framework for software issue localization. To facilitate training, we construct SWELoc, a large-scale dataset curated from public GitHub repositories, featuring real-world issue descriptions paired with corresponding code modifications. Empirical results on SWE-Bench-Lite and LocBench show that SWERank achieves state-of-the-art performance, outperforming both prior ranking models and costly agent-based systems using closed-source LLMs like Claude-3.5. Further, we demonstrate SWELoc's utility in enhancing various existing retriever and reranker models for issue localization, establishing the dataset as a valuable resource for the community.

Mathematical problem synthesis shows promise in resolving data exhaustion, contamination, and leakage for AI training and evaluation. Despite enormous efforts, an **expressiveness-validity-complexity trilemma** remains an open question. Existing methods either lack whole-process verifiability, are constrained to a particular domain, or are bounded by external models. This paper breaks the trilemma by proposing the framework of **DExploration** _(**D**eductive **Exploration**)_, which formulates problem synthesis as a step-by-step exploration process instead of one-shot generation. Agents are equipped with three simple yet powerful atomic actions: _introducing_ variables/hypotheses, _deducing_ new facts, and _submitting_ derived facts. The entire exploration process is formally verified by Lean 4, which encompasses most mathematical domains up to the research level. Once a conclusion is submitted, the framework outputs a formal statement with guaranteed provability, reducing the need for external models. To bootstrap training data for DExploration, we propose **Exploratory Transformation** to distill exploration trajectories from existing large-scale theorem-proving data. It rewrites formal proofs into a deductive style, parses dependencies among variables, hypotheses, and proof steps, then reassembles them into exploration trajectories by a topological order. Experiments validate the effectiveness and efficiency of our methods, achieving an improved success rate ($40.70\\% \mapsto 54.52\\%$), reduced token cost ($52.9\text{K} \mapsto 8.8\text{K}, 83\\%\downarrow$), broader complexity and difficulty distributions, and Pareto optimality. In $2726$ valid generations, three state-of-the-art provers fail on $60$ (Pass@4) and $8$ (Pass@64).

Studies have shown that catastrophic forgetting primarily stems from the difficulty of reactivating old memories; although parameter-efficient fine-tuning can mitigate forgetting while keeping most model parameters frozen, it still falls short in fully reawakening knowledge of prior tasks. In contrast, humans can efficiently retrieve and flexibly integrate existing experiences when learning new tasks, thereby maintaining stable performance on earlier ones. During cognition, the hippocampal EC–DG–CA3–CA1 circuit engages in multiple rounds of associative recall, and its pattern-separation and memory-completion mechanisms excel at activating historical information. Inspired by this mechanism, we propose HippoTune, a latent-space iterative retrieval strategy that embeds a query–retrieve–feedback loop within each Transformer layer. Starting from the hidden state as an initial query, the model performs a few rounds of soft key–value retrieval, projects the retrieved signals back into the query, and updates it iteratively until convergence or a preset iteration limit. Theoretically, we show this process implements a Krylov-style polynomial approximation, equivalent to a differentiable second-order preconditioner, thereby deepening retrieval in a principled way. Empirically, HippoTune outperforms classical buffer-free PEFT-CL methods by 5–8\% in accuracy across three vision benchmarks, while reducing training FLOPs by 50\%, effectively mitigating forgetting under tight compute constraints. Code is available at: https://github.com/yan4xi1/HippoTune.

Test-time algorithms that combine the generative power of language models with process verifiers that assess the quality of partial generations offer a promising lever for eliciting new reasoning capabilities, but the algorithmic design space and computational scaling properties of such approaches are still opaque, and their benefits are far from apparent when one accounts for the cost of learning a high-quality verifier. Our starting point is the observation that seemingly benign errors in a learned verifier can lead to catastrophic failures for standard decoding techniques due to error amplification during the course of generation. We then ask: can this be improved with more sophisticated decoding strategies? We introduce a new process-guided test-time sampling algorithm, VGB, which uses theoretically grounded backtracking to achieve provably better robustness to verifier errors. VGB interprets autoregressive generation as a random walk on a tree of partial completions, with transition probabilities guided by the process verifier and base model; crucially, backtracking occurs probabilistically. This process generalizes the seminal Sinclair-Jerrum random walk (Sinclair & Jerrum, 1989) from the literature on approximate counting and sampling in theoretical computer science, and a conceptual contribution of our work is to highlight parallels with this literature. Empirically, we demonstrate on both synthetic and real language modeling tasks that VGB outperforms baselines on a variety of metrics.

Spiking neural networks (SNNs) offer an energy-efficient alternative to traditional neural networks due to their event-driven computing paradigm. However, recent advancements in spiking transformers have focused on improving accuracy with large-scale architectures, which require significant computational resources and limit deployment on resource-constrained devices. In this paper, we propose a simple yet effective token pruning method for spiking transformers, termed TP-Spikformer, that reduces storage and computational overhead while maintaining competitive performance. Specifically, we first introduce a heuristic spatiotemporal information-retaining criterion that comprehensively evaluates tokens' importance, assigning higher scores to informative tokens for retention and lower scores to uninformative ones for pruning. Based on this criterion, we propose an information-retaining token pruning framework that employs a block-level early stopping strategy for uninformative tokens, instead of removing them outright. This also helps preserve more information during token pruning. We demonstrate the effectiveness, efficiency and scalability of TP-Spikformer through extensive experiments across diverse architectures, including Spikformer, QKFormer and Spike-driven Transformer V1 and V3, and a range of tasks such as image classification, object detection, semantic segmentation and event-based object tracking. Particularly, TP-Spikformer performs well in a training-free manner. These results reveal its potential as an efficient and practical solution for deploying SNNs in real-world applications with limited computational resources.

Recent advances in driving-scene generation and reconstruction have demonstrated significant potential for enhancing autonomous driving systems by producing scalable and controllable training data. Existing generation methods primarily focus on synthesizing diverse and high-fidelity driving videos; however, due to limited 3D consistency and sparse viewpoint coverage, they struggle to support convenient and high-quality novel-view synthesis (NVS). Conversely, recent 3D/4D reconstruction approaches have significantly improved NVS for real-world driving scenes, yet inherently lack generative capabilities. To overcome this dilemma between scene generation and reconstruction, we propose \textbf{WorldSplat}, a novel feed-forward framework for 4D driving-scene generation. Our approach effectively generates consistent multi-track videos through two key steps: ((i)) We introduce a 4D-aware latent diffusion model integrating multi-modal information to produce pixel-aligned 4D Gaussians in a feed-forward manner. ((ii)) Subsequently, we refine the novel view videos rendered from these Gaussians using a enhanced video diffusion model. Extensive experiments conducted on benchmark datasets demonstrate that \textbf{WorldSplat} effectively generates high-fidelity, temporally and spatially consistent multi-track novel view driving videos.

We investigate the role of learning rate scheduling in the large-scale pre-training of large language models, focusing on its influence on downstream performance after supervised fine-tuning (SFT). Decay-based learning rate schedulers are widely used to minimize pre-training loss. However, despite their widespread use, how these schedulers affect performance after SFT remains underexplored. In this paper, we examine Warmup-Stable-Only (WSO), which maintains a constant learning rate after warmup without any decay. Through experiments with 1B and 8B parameter models, we show that WSO consistently outperforms decay-based schedulers in terms of performance after SFT, even though decay-based schedulers may exhibit better performance after pre-training. The result also holds across different regimes with mid-training and over-training. Loss landscape analysis further reveals that decay-based schedulers lead models into sharper minima, whereas WSO preserves flatter minima that support adaptability. These findings indicate that applying LR decay to improve pre-training metrics may compromise downstream adaptability. Our work also provides practical guidance for training and model release strategies, highlighting that pre-training models with WSO enhances their adaptability for downstream tasks.

A fundamental challenge in the theory of deep learning is to understand whether gradient-based training can promote parameters belonging to certain lower-dimensional structures (e.g., sparse or low-rank sets), leading to so-called implicit bias. As a stepping stone, motivated by the proof structure of existing implicit bias analyses, we study when a gradient flow on a parameter $\theta$ implies an intrinsic gradient flow on a ``lifted'' variable $z = \phi(\theta)$, for an architecture-related function $\phi$. We express a so-called intrinsic dynamic property and show how it is related to the study of conservation laws associated with the factorization $\phi$. This leads to a simple criterion based on the inclusion of kernels of linear maps, which yields a necessary condition for this property to hold. We then apply our theory to general ReLU networks of arbitrary depth and show that, for a dense set of initializations, it is possible to rewrite the flow as an intrinsic dynamic in a lower dimension that depends only on $z$ and the initialization, when $\phi$ is the so-called path-lifting. In the case of linear networks with $\phi$, the product of weight matrices, the intrinsic dynamic is known to hold under so-called balanced initializations; we generalize this to a broader class of {\em relaxed balanced} initializations, showing that, in certain configurations, these are the \emph{only} initializations that ensure the intrinsic metric property. Finally, for the linear neural ODE associated with the limit of infinitely deep linear networks, with relaxed balanced initialization, we make explicit the corresponding intrinsic dynamics.

This work presents Prior Depth Anything, a framework that combines incomplete but precise metric information in depth measurement with relative but complete geometric structures in depth prediction, generating accurate, dense, and detailed metric depth maps for any scene. To this end, we design a coarse-to-fine pipeline to progressively integrate the two complementary depth sources. First, we introduce pixel-level metric alignment and distance-aware weighting to pre-fill diverse metric priors by explicitly using depth prediction. It effectively narrows the domain gap between prior patterns, enhancing generalization across varying scenarios. Second, we develop a conditioned monocular depth estimation (MDE) model to refine the inherent noise of depth priors. By conditioning on the normalized pre-filled prior and prediction, the model further implicitly merges the two complementary depth sources. Our model showcases impressive zero-shot generalization across depth completion, super-resolution, and inpainting over 7 real-world datasets, matching or even surpassing previous task-specific methods. More importantly, it performs well on challenging, unseen mixed priors and enables test-time improvements by switching prediction models, providing a flexible accuracy-efficiency trade-off while evolving with advancements in MDE models.

Aligning large generative models with human feedback is a critical challenge. In speech synthesis, this is particularly pronounced due to the lack of a large-scale human preference dataset, which hinders the development of models that truly align with human perception. To address this, we introduce SpeechJudge, a comprehensive suite comprising a dataset, a benchmark, and a reward model centered on naturalness—one of the most fundamental subjective metrics for speech synthesis. First, we present SpeechJudge-Data, a large-scale human feedback corpus of 99k speech pairs. The dataset is constructed using a diverse set of advanced zero-shot text-to-speech (TTS) models across diverse speech styles and multiple languages, with human annotations for both intelligibility and naturalness preference. From this, we establish SpeechJudge-Eval, a challenging benchmark for speech naturalness judgment. Our evaluation reveals that existing metrics and AudioLLMs struggle with this task; the best-performing model, Gemini-2.5-Flash, achieves less than 70% agreement with human judgment, highlighting a significant gap for improvement. To bridge this gap, we develop SpeechJudge-GRM, a generative reward model (GRM) based on Qwen2.5-Omni-7B. It is trained on SpeechJudge-Data via a two-stage post-training process: Supervised Fine-Tuning (SFT) with Chain-of-Thought rationales followed by Reinforcement Learning (RL) with GRPO on challenging cases. On the SpeechJudge-Eval benchmark, the proposed SpeechJudge-GRM demonstrates superior performance, achieving 77.2% accuracy (and 79.4% after inference-time scaling @10) compared to a classic Bradley-Terry reward model (72.7%). Furthermore, SpeechJudge-GRM can be also employed as a reward function during the post-training of speech generation models to facilitate their alignment with human preferences.

Conformal prediction provides a pivotal and flexible technique for uncertainty quantification by constructing prediction sets with a predefined coverage rate. Many online conformal prediction methods have been developed to address data distribution shifts in fully adversarial environments, resulting in overly conservative prediction sets. We propose Conformal Optimistic Prediction (COP), an online conformal prediction algorithm incorporating underlying data pattern into the update rule. Through estimated cumulative distribution function of non-conformity scores, COP produces tighter prediction sets when predictable pattern exists, while retaining valid coverage guarantees even when estimates are inaccurate. We establish a joint bound on coverage and regret, which further confirms the validity of our approach. We also prove that COP achieves distribution-free, finite-sample coverage under arbitrary learning rates and can converge when scores are i.i.d. The experimental results also show that COP can achieve valid coverage and construct shorter prediction intervals than other baselines.

Reconstructing transparent objects from a set of multi-view images is a challenging task due to the complicated nature and indeterminate behavior of light propagation. Typical methods are primarily tailored to specific scenarios, such as objects following a uniform topology, exhibiting ideal transparency and surface specular reflections, or with only surface materials, which substantially constrains their practical applicability in real-world settings. In this work, we propose a differentiable rendering framework for transparent objects, dubbed \emph{DiffTrans}, which allows for efficient decomposition and reconstruction of the geometry and materials of transparent objects, thereby reconstructing transparent objects accurately in intricate scenes with diverse topology and complex texture. Specifically, we first utilize FlexiCubes with dilation and smoothness regularization as the iso-surface representation to reconstruct an initial geometry efficiently from the multi-view object silhouette. Meanwhile, we employ the environment light radiance field to recover the environment of the scene. Then we devise a recursive differentiable ray tracer to further optimize the geometry, index of refraction and absorption rate simultaneously in a unified and end-to-end manner, leading to high-quality reconstruction of transparent objects in intricate scenes. A prominent advantage of the designed ray tracer is that it can be implemented in CUDA, enabling a significantly reduced computational cost. Extensive experiments on multiple benchmarks demonstrate the superior reconstruction performance of our \emph{DiffTrans} compared with other methods, especially in intricate scenes involving transparent objects with diverse topology and complex texture. Code will be released.

Modern language models (LMs) still rely on fixed, pre-defined subword tokenizations. Once a tokenizer is trained, the LM can only operate at this fixed level of granularity, which often leads to brittle and counterintuitive behaviors even in otherwise strong reasoning models. We introduce \textbf{ByteFlow Net}, a new architecture that removes tokenizers entirely and instead enables models to learn their own segmentation of raw byte streams into semantically meaningful units. Our approach is grounded in information theory: ByteFlow Net performs compression-driven segmentation based on coding rate of latent representation, allowing the model to dynamically evaluate the information cost of grouping bytes and decide chunk boundaries during processing. Unlike prior self-tokenizing methods that depend on brittle heuristics with human-designed inductive biases, ByteFlow Net adapts its internal representation granularity to the input itself. Experiments demonstrate that this compression-based chunking strategy yields substantial performance gains, with ByteFlow Net outperforming both BPE-based Transformers and previous byte-level architectures. These results suggest that end-to-end, tokenizer-free modeling is not only feasible but also more effective, opening a path toward more adaptive, robust, and information-grounded language models.

Large Language Model (LLM) pretraining, finetuning, and evaluation rely on input-space reconstruction and generative capabilities. Yet, it has been observed in vision that embedding-space training objectives, e.g., with Joint Embedding Predictive Architectures (JEPAs), are far superior to their input-space counterpart. That mismatch in how training is achieved between language and vision opens up a natural question: {\em can language training methods learn a few tricks from the vision ones?} The lack of JEPA-style LLM is a testimony of the challenge in designing such objectives for language. In this work, we propose a first step in that direction where we develop LLM-JEPA, a JEPA based solution for LLMs applicable both to finetuning and pretraining. Thus far, LLM-JEPA is able to outperform the standard LLM training objectives by a significant margin across models, all while being robust to overfiting. Those findings are observed across numerous datasets (NL-RX, GSM8K, Spider, RottenTomatoes) and various models from the Llama3, OpenELM, Gemma2 and Olmo families. Code: \url{https://github.com/galilai-group/llm-jepa}.

Many generative models originally developed in finite-dimensional Euclidean space have functional generalizations in infinite-dimensional settings. However, the extension of rectified flow to infinite-dimensional spaces remains unexplored. In this work, we establish a rigorous functional formulation of rectified flow in an infinite-dimensional Hilbert space. Our approach builds upon the superposition principle for continuity equations in an infinite-dimensional space. We further show that this framework extends naturally to functional flow matching and functional probability flow ODEs, interpreting them as nonlinear generalizations of rectified flow. Notably, our extension to functional flow matching removes the restrictive measure-theoretic assumptions in the existing theory of \citet{kerrigan2024functional}. Furthermore, we demonstrate experimentally that our method achieves superior performance compared to existing functional generative models.

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of answering a fundamental question: how is knowledge integrated or transferred across domains? This theoretical limitation motivates us to rethink the consistency and transferability between the pre-trained model and target domains. In this paper, we propose a fresh differential geometry perspective, whose core idea is to merge any graph dataset into a unified, smooth Riemannian manifold, enabling a systematic understanding of knowledge integration and transfer. To achieve this, our key contribution is the theoretical establishment of neural manifold gluing, which first characterizes local geometry using an adaptive orthogonal frame and then “glues” the local pieces together into a coherent whole. Building on this theory, we present the GraphGlue framework, which supports batched pre-training with EMA prototyping and provides a transferability measure based on geometric consistence. Extensive experiments demonstrate its superior performance across diverse graph domains. Moreover, we empirically validated GraphGlue’s geometric scaling law, showing that larger quantities of datasets improve model transferability by producing a smoother manifold.

Unified multimodal Large Language Models (LLMs) that can both understand and generate visual content hold immense potential. However, existing open-source models often suffer from a performance trade-off between these capabilities. We present Manzano, a simple and scalable unified framework that substantially reduces this tension by coupling a hybrid image tokenizer with a well-curated training recipe. A single shared vision encoder feeds two lightweight adapters that produce continuous embeddings for image-to-text understanding and discrete tokens for text-to-image generation within a common semantic space. A unified autoregressive LLM predicts high-level semantics in the form of text and image tokens, with an auxiliary diffusion decoder subsequently translating the image tokens into pixels. The architecture, together with a unified training recipe over understanding and generation data, enables scalable joint learning of both capabilities. Manzano achieves state-of-the-art results among unified models, and is competitive with specialist models, particularly on text-rich evaluation. Our studies show minimal task conflicts and consistent gains from scaling model size, validating our design choice of a hybrid tokenizer.

Large Language Models (LLMs) are increasingly deployed in multi-agent systems, where effective inter-model communication is crucial. Existing communication protocols either rely on natural language, incurring high inference costs and information loss, or on hidden states, which suffer from information concentration bias and inefficiency. To address these limitations, we propose KVComm, a novel communication framework that enables efficient communication between LLMs through selective sharing of KV pairs. KVComm leverages the rich information encoded in the KV pairs while avoiding the pitfalls of hidden states. We introduce a KV layer-wise selection strategy based on attention importance scores with a Gaussian prior to identify the most informative KV pairs for communication. Extensive experiments across diverse tasks and model pairs demonstrate that KVComm achieves comparable performance to the upper-bound method, which directly merges inputs to one model without any communication, while transmitting as few as 30\% of layers' KV pairs. Our study highlights the potential of KV pairs as an effective medium for inter-LLM communication, paving the way for scalable and efficient multi-agent systems.

Real-world enterprise data intelligence workflows encompass data engineering that turns raw sources into analytical-ready tables and data analysis that convert those tables into decision-oriented insights. We introduce DAComp, a benchmark of 210 tasks that mirrors these complex workflows. Data engineering (DE) tasks require repository-level engineering on industrial schemas, including designing and building multi-stage SQL pipelines from scratch and evolving existing systems under evolving requirements. Data analysis (DA) tasks pose open-ended business problems that demand strategic planning, exploratory analysis through iterative coding, interpretation of intermediate results, and the synthesis of actionable recommendations. Engineering tasks are scored through execution-based, multi-metric evaluation. Open-ended tasks are assessed by a reliable, experimentally validated LLM-judge, which is guided by hierarchical, meticulously crafted rubrics. Our experiments reveal that even state-of-the-art agents falter on DAComp. Performance on DE tasks is particularly low, with success rates under 20\%, exposing a critical bottleneck in holistic pipeline orchestration, not merely code generation. Scores on DA tasks also average below 40\%, highlighting profound deficiencies in open-ended reasoning and demonstrating that engineering and analysis are distinct capabilities. By clearly diagnosing these limitations, DAComp provides a rigorous and realistic testbed to drive the development of truly capable autonomous data agents for enterprise settings. Our data and code are available at \url{da-comp.github.io}.

Large language models (LLMs) often generate hallucinations---unsupported content that undermines reliability. While most prior works frame hallucination detection as a binary task, many real-world applications require identifying hallucinated spans, which is a multi-step decision making process. This naturally raises the question of whether explicit reasoning can help the complex task of detecting hallucination spans. To answer this question, we first evaluate pretrained models with and without Chain-of-Thought (CoT) reasoning, and show that CoT reasoning has the potential to generate at least one correct answer when sampled multiple times. Motivated by this, we propose RL4HS, a reinforcement learning framework that incentivizes reasoning with a span-level reward function. RL4HS builds on Group Relative Policy Optimization and introduces Class-Aware Policy Optimization to mitigate reward imbalance issue. Experiments on the RAGTruth benchmark (summarization, question answering, data-to-text) show that RL4HS surpasses pretrained reasoning models and supervised fine-tuning, demonstrating the necessity of reinforcement learning with span-level rewards for detecting hallucination spans.

Video Query Sound Separation (VQSS) aims to isolate target sounds conditioned on visual queries while suppressing off-screen interference—a task central to audiovisual understanding. However, existing methods often fail under conditions of homogeneous interference and overlapping soundtracks, due to limited temporal modeling and weak audiovisual alignment. We propose \textbf{AlignSep}, the first generative VQSS model based on flow matching, designed to address common issues such as spectral holes and incomplete separation. To better capture cross-modal correspondence, we introduce a series of temporal consistency mechanisms that guide the vector field estimator toward learning robust audiovisual alignment, enabling accurate and resilient separation in complex scenes. As a \textit{multi-conditioned generation} task, VQSS presents unique challenges that differ fundamentally from traditional flow matching setups. We provide an in-depth analysis of these differences and their implications for generative modeling. To systematically evaluate performance under realistic and difficult conditions, we further construct \textbf{VGGSound-Hard}, a challenging benchmark composed entirely of separation cases with homogeneous interference and strong reliance on temporal visual cues. Extensive experiments across multiple benchmarks demonstrate that AlignSep achieves state-of-the-art performance both quantitatively and perceptually, validating its practical value for real-world applications. More results and audio examples are available at: \url{https://AlignSep.github.io}.

Submissions are rising fast, and venues use different rules, data formats, and update times. As a result, signals of progress get split across places, and key moments (rebuttal, discussion, final decision) are easy to miss, making analysis hard. We present Paper Copilot, a system and scalable peer-review archive that pulls data from official sites, OpenReview, and opt-in forms into a single, standardized, versioned record with timestamps. This lets us track trends over time and compare venues, institutions, and countries in a consistent way. Using the archive for ICLR 2024/2025, we see larger score changes after rebuttal for higher-tier papers, reviewer agreement that dips during active discussion and tightens by the end, and in 2025 a sharper, mean-score–driven assignment of tiers with lower decision uncertainty than expected at that scale. We also state simple rules for ethics—clear sourcing and consent, privacy protection, and limits on use for closed venues. Together, we provide a clear, reusable base for tracking AI/ML progress, and, with this data, enable validation, benchmarking, and otherwise hard-to-run studies.

Modern large language models (LLMs) excel at tasks that require storing and retrieving knowledge, such as factual recall and question answering. Transformers are central to this capability because they can encode information during training and retrieve it at inference. Existing theoretical analyses typically study transformers under idealized assumptions such as infinite data or orthogonal embeddings. In realistic settings, however, models are trained on finite datasets with non-orthogonal (random) embeddings. We address this gap by analyzing a single-layer transformer with random embeddings trained with (empirical) gradient descent on a simple token-retrieval task, where the model must identify an informative token within a length-$L$ sequence and learn a one-to-one mapping from tokens to labels. Our analysis tracks the ``early phase'' of gradient descent and yields explicit formulas for the model’s storage capacity---revealing a multiplicative dependence between sample size $N$, embedding dimension $d$, and sequence length $L$. We validate these scalings numerically and further complement them with a lower bound for the underlying statistical problem, demonstrating that this multiplicative scaling is intrinsic under non-orthogonal embeddings. Code to reproduce all experiments is publicly available.

As large language models (LLMs) are increasingly deployed in the real world, the ability to ``unlearn'', or remove specific pieces of knowledge post hoc, has become essential for a variety of reasons ranging from privacy regulations to correcting outdated or harmful content. Prior work has proposed unlearning benchmarks and algorithms, and has typically assumed that the training process and the target model are fixed. In this work, we empirically investigate how learning-time encoding in knowledge encoding impact the effectiveness of unlearning factual knowledge. We conduct two studies: (i) examining how paraphrased descriptions influence unlearning performance, and (ii) analyzing unlearning when multiple facts are embedded within the same training text chunk. Our empirical study reveals two important implications: a new perspective for interpreting unlearning performance and practical strategies for improving LLM unlearning.

This paper studies online bidding subject to simultaneous budget and return-on-investment (ROI) constraints, which encodes the goal of balancing high volume and profitability. We formulate the problem as a general constrained online learning problem that can be applied to diverse bidding settings (e.g., first-price or second-price auctions) and feedback regimes (e.g., full or partial information), among others. We introduce L2FOB, a Look-ahead Lyapunov Framework for Online Bidding with strong empirical and theoretical performance. By combining optimistic reward and pessimistic cost estimation with the look-ahead virtual queue mechanism, L2FOB delivers safe and optimal bidding decisions. We provide adaptive guarantees: L2FOB achieves $O (\mathcal{E}\_r(T,p)+(\nu^* / \rho) \mathcal{E}\_c(T,p))$ regret and $O (\mathcal{E}\_r(T,p)+\mathcal{E}\_c(T,p))$ anytime ROI constraint violation, where $\mathcal{E}_r(T,p)$ and $\mathcal{E}_c(T,p)$ are cumulative estimation errors over $T$ rounds, $\rho$ is the average per-round budget, and $\nu^*$ is the offline optimal average reward. We instantiate L2FOB in several online bidding settings, demonstrating guarantees that match or improve upon the best-known results. These results are derived from the novel look-ahead design and Lyapunov stability analysis. Numerical experiments further validate our theoretical guarantees.

Pre-trained vision-language models (VLMs) enable zero-shot image classification by computing the similarity score between an image and textual descriptions, typically formed by inserting a class label (e.g., "cat") into a prompt (e.g., "a photo of a"). Since the score for a given image-class pair is sensitive to the choice of prompt, existing studies ensemble multiple prompts using a weighting vector to aggregate scores across different prompts. Yet, in current strategies, the weighting vector assigned to each prompt is shared across all classes, implicitly assuming that prompts are conditionally independent of classes, which often does not hold in practice, as a prompt like "an aerial view of" might be apt for "airport" but ill-suited for "apple". To address this, we propose class-aware zero-shot prompt reweighting (CARPRT). This scoring scheme adjusts the weighting vector for each class label by capturing the class-specific relevance of different prompts in a training-free manner. For each class label and every available prompt, we quantify their class-specific relevance by averaging image–text relevance scores over images predicted to that class under the given prompt. These estimates are then normalized to derive class-specific weights. Evaluations on standard image classification benchmarks show that CARPRT outperforms existing class-independent reweighting methods, confirming that modeling prompt-class dependencies is crucial for effective zero-shot prediction and even broader VLM-based application settings that rely on prompt ensembling. Our code is available at https://github.com/tmlr-group/CARPRT.

Information-based data selection for instruction tuning is compelling: maximizing the log-determinant of the Fisher information yields a monotone submodular objective, enabling greedy algorithms to achieve a $(1-1/e)$ approximation under a cardinality budget. In practice, however, we identify alleviating gradient conflicts, misalignment between per-sample gradients, is a key factor that slows down the decay of marginal log-determinant information gains, thereby preventing significant loss of information. We formalize this via an $\varepsilon$-decomposition that quantifies the deviation from ideal submodularity as a function of conflict statistics, yielding data-dependent approximation factors that tighten as conflicts diminish. Guided by this analysis, we propose SPICE, a conflict-aware selector that maximizes information while penalizing misalignment, and that supports early stopping and proxy models for efficiency. Empirically, SPICE selects subsets with higher log-determinant information than original criteria, and these informational gains translate into performance improvements: across 8 benchmarks with LLaMA2-7B and Qwen2-7B, SPICE uses only 10% of the data, yet matches or exceeds 6 methods including full-data tuning. This achieves performance improvements with substantially lower training cost. Code is available at https://github.com/Chang-pw/SPICE#.

Popular explanation methods often produce unreliable feature importance scores due to missingness bias, a systematic distortion that arises when models are probed with ablated, out-of-distribution inputs. Existing solutions treat this as a deep representational flaw that requires expensive retraining or architectural modifications. In this work, we challenge this assumption and show that missingness bias can be effectively treated as a superficial artifact of the model's output space. We introduce MCal, a lightweight post-hoc method that corrects this bias by fine-tuning a simple linear head on the outputs of a frozen base model. Surprisingly, we find this simple correction consistently reduces missingness bias and is competitive with, or even outperforms, prior heavyweight approaches across diverse medical benchmarks spanning vision, language, and tabular domains.

Recent multimodal models for instruction-based face editing enable semantic manipulation but still struggle with precise attribute control and identity preservation. Structural facial representations such as landmarks are effective for intermediate supervision, yet most existing methods treat them as rigid geometric constraints, which can degrade identity when conditional landmarks deviate significantly from the source (e.g., large expression or pose changes, inaccurate landmark estimates). To address these limitations, we propose LaTo, a landmark-tokenized diffusion transformer for fine-grained, identity-preserving face editing. Our key innovations include: (1) a landmark tokenizer that directly quantizes raw landmark coordinates into discrete facial tokens, obviating the need for dense pixel-wise correspondence; (2) a location-mapped positional encoding and a landmark-aware classifier-free guidance that jointly facilitate flexible yet decoupled interactions among instruction, geometry, and appearance, enabling strong identity preservation; and (3) a landmark predictor that leverages vision–language models to infer target landmarks from instructions and source images, whose structured chain-of-thought improves estimation accuracy and interactive control. To mitigate data scarcity, we curate HFL-150K, to our knowledge the largest benchmark for this task, containing over 150K real face pairs with fine-grained instructions. Extensive experiments show that LaTo outperforms state-of-the-art methods by 7.8% in identity preservation and 4.6% in semantic consistency. Code is available at https://github.com/alibaba/landmark-tokenized-dit.

Large Language Model-based Multi-Agent Systems (MASs) have demonstrated strong advantages in addressing complex real-world tasks. However, due to the introduction of additional attack surfaces, MASs are particularly vulnerable to misinformation injection. To facilitate a deeper understanding of misinformation propagation dynamics within these systems, we introduce MisinfoTask, a novel dataset featuring complex, realistic tasks designed to evaluate MAS robustness against such threats. Building upon this, we propose ARGUS, a two-stage, training-free defense framework leveraging goal-aware reasoning for precise misinformation rectification within information flows. Our experiments demonstrate that in challenging misinformation scenarios, ARGUS exhibits significant efficacy across various injection attacks, achieving an average reduction in misinformation toxicity of approximately 28.17% and improving task success rates under attack by approximately 10.33%.

Automatic video polyp segmentation (VPS) is crucial for preventing and treating colorectal cancer by ensuring accurate identification of polyps in colonoscopy examinations. However, its clinical application is hampered by two key challenges: shape collapse, which compromises structural integrity, and episodic amnesia, which causes instability in challenging video sequences. To address these challenges, we present a novel video segmentation network, \emph{HFSTI-Net}, which integrates global perception with spatiotemporal consistency in spatial, temporal, and frequency domains. Specifically, to address shape collapse under low contrast or visual ambiguity, we design a Hierarchical Frequency-spatial Interaction (HFSI) module that fuses spatial and frequency cues for fine-grained boundary localization. Furthermore, we propose a recurrent mask-guided propagation (RMP) module that introduces a dual enhancement mechanism based on feature memory and mask alignment, effectively incorporating spatiotemporal information to alleviate inter-frame inconsistencies and ensuring long-term segmentation stability. Extensive experiments on the SUN-SEG and CVC-612 datasets demonstrate that our method achieves real-time inference and outperforms other state-of-the-art approaches. Codes are available at \url{https://github.com/Yuanqin-He/HFSTI-Net}.

Multimodal Reward Models (MRMs) play a crucial role in enhancing the performance of Multimodal Large Language Models (MLLMs). While recent advancements have primarily focused on improving the model structure and training data of MRMs, there has been limited exploration into the effectiveness of long-term reasoning capabilities for reward modeling and how to activate these capabilities in MRMs. In this paper, we explore how Reinforcement Learning (RL) can be used to improve reward modeling. Specifically, we reformulate the reward modeling problem as a rule-based RL task. However, we observe that directly applying existing RL algorithms, such as Reinforce++, to reward modeling often leads to training instability or even collapse due to the inherent limitations of these algorithms. To address this issue, we propose the StableReinforce algorithm, which refines the training loss, advantage estimation strategy, and reward design of existing RL methods. These refinements result in more stable training dynamics and superior performance. To facilitate MRM training, we collect 200K preference data from diverse datasets. Our reward model, R1-Reward, trained using the StableReinforce algorithm on this dataset, significantly improves performance on multimodal reward modeling benchmarks. Compared to previous SOTA models, R1-Reward achieves a 8.4% improvement on the VL Reward-Bench and a 14.3% improvement on the Multimodal Reward Bench. Moreover, with more inference compute, R1-Reward's performance is further enhanced, highlighting the potential of RL algorithms in optimizing MRMs.

Image clustering is a fundamental task in visual machine learning. A key research direction in this field is the incorporation of prior knowledge. Recently, such prior knowledge has evolved from internal compactness constraints to external textual guidance. In particular, the introduction of textual modalities through CLIP has demonstrated impressive performance. However, CLIP is designed primarily for image–text alignment and may not be sufficient to capture clustering structures. Moreover, existing approaches often assume that textual features are universally beneficial, overlooking their varying suitability for different datasets. To address these issues, we propose using spatial structure and selective text jointly to facilitate image clustering (SATC). Specifically, we design a graph attention network (GAT)-based encoder to capture relational dependencies among image patches, thereby extracting spatial features to facilitate clustering. In addition, we introduce a textual feature selector that uses the potential clustering compactness of textual features as the selection criterion and adaptively integrates them into the clustering process. Theoretical guidance is provided for this selector. Finally, the cluster assignment is produced through tri-modal mutual distillation. Extensive experiments on 18 benchmark datasets demonstrate the effectiveness of SATC. The experimental results further verify the rationality of the textual feature selector. Project Page: 👉 https://zizhjiu.github.io/SATC/

Cooperative multi-agent reinforcement learning (MARL) commonly adopts centralized training with decentralized execution, where value-factorization methods enforce the individual-global-maximum (IGM) principle so that decentralized greedy actions recover the team-optimal joint action. However, the reliability of this recipe in real-world settings remains uncertain due to environmental uncertainties arising from the sim-to-real gap, model mismatch, system noise. We address this gap by introducing Distributionally robust IGM (DrIGM), a principle that requires each agent's robust greedy action to align with the robust team-optimal joint action. We show that DrIGM holds for a novel definition of robust individual action values, which is compatible with decentralized greedy execution and yields a provable robustness guarantee for the whole system. Building on this foundation, we derive DrIGM-compliant robust variants of existing value-factorization architectures (e.g., VDN/QMIX/QTRAN) that (i) train on robust Q-targets, (ii) preserve scalability, and (iii) integrate seamlessly with existing codebases without bespoke per-agent reward shaping. Empirically, on high-fidelity SustainGym simulators and a StarCraft game environment, our methods consistently improve out-of-distribution performances.

Large language model (LLM) agents exhibit strong mathematical problem-solving abilities and can even solve International Mathematical Olympiad (IMO) level problems with the assistance of formal proof systems. However, due to weak heuristics for auxiliary constructions, AI for geometry problem solving remains dominated by expert models such as AlphaGeometry 2, which rely heavily on large-scale data synthesis and search for both training and evaluation. In this work, we make the first attempt to build a medalist-level LLM agent for geometry and present InternGeometry. InternGeometry overcomes the heuristic limitations in geometry by iteratively proposing propositions and auxiliary constructions, verifying them with a symbolic engine, and reflecting on the engine's feedback to guide subsequent proposals. A dynamic memory mechanism enables InternGeometry to conduct more than two hundred interactions with the symbolic engine per problem. To further accelerate learning, we introduce Complexity-Boosting Reinforcement Learning (CBRL), which gradually increases the complexity of synthesized problems across training stages. Built on InternThinker-32B, InternGeometry solves 44 of 50 IMO geometry problems (2000-2024), exceeding the average gold medalist score (40.9), using only 13K training examples, just 0.004% of the data used by AlphaGeometry 2, demonstrating the potential of LLM agents on expert-level geometry tasks. InternGeometry can also propose novel auxiliary constructions for IMO problems that do not appear in human solutions.

Reinforcement learning (RL) has become a central paradigm for post-training large language models (LLMs) to elicit stronger reasoning. Yet, most recent RL for LLMs (RL4LLM) methods avoid explicit critics, replacing them with average advantage baselines. This shift is largely pragmatic: conventional value functions are computationally expensive to train at LLM scale and often fail under sparse rewards and long reasoning horizons. We revisit this bottleneck from an architectural perspective and introduce Asymmetric Proximal Policy Optimization (**AsyPPO**), a simple and scalable framework that restores the critic’s role while remaining efficient in large-model settings. **AsyPPO** employs a set of lightweight *mini-critics*, each trained on disjoint prompt shards. This design encourages diversity while preserving calibration, reducing value-estimation bias. Beyond robust estimation, **AsyPPO** leverages inter-critic uncertainty to refine the policy update: (i) masking advantages in states where critics agree and gradients add little learning signal, and (ii) filtering high-divergence states from entropy regularization, suppressing spurious exploration. Across multiple reasoning benchmarks, **AsyPPO** consistently improves learning stability and performance over strong baselines, e.g., GRPO, achieving performance gains of $> 6$% on *Qwen3-4b-Base* and about $3$% on *Qwen3-8b-Base* and *Qwen3-14b-Base* over classic PPO. Such results highlight the importance of architectural innovations in critics for scalable, efficient algorithms.

Travel planning stands out among real-world applications of \emph{Language Agents} because it couples significant practical demand with a rigorous constraint-satisfaction challenge. However, existing benchmarks primarily operate on a slot-filling paradigm, restricting agents to synthetic queries with pre-defined constraint menus, which fails to capture the open-ended nature of natural language interaction, where user requirements are compositional, diverse, and often implicitly expressed. To address this gap, we introduce \emph{ChinaTravel}, with four key contributions: 1) a practical sandbox aligned with the multi-day, multi-POI travel planning, 2) a compositionally generalizable domain-specific language (DSL) for scalable evaluation, covering feasibility, constraint satisfaction, and preference comparison 3) an open-ended dataset that integrates diverse travel requirements and implicit intent from 1154 human participants, and 4) fine-grained analysis reveal the potential of neuro-symbolic agents in travel planning, achieving a 37.0\% constraint satisfaction rate on human queries, a 10$\times$ improvement over purely neural models, yet highlighting significant challenges in compositional generalization. Overall, ChinaTravel provides a foundation for advancing language agents through compositional constraint validation in complex, real-world planning scenarios. Project Page: https://www.lamda.nju.edu.cn/shaojj/ChinaTravel/index.html

The goal of this work is to use loneliness as a clear case study of proxy-reward misalignment in RL. We introduce a simulation where loneliness drifts over time and repeated short-term comfort increases an accumulated harm variable, then compare agents trained on engagement versus long-term well-being. We show that optimizing engagement leads to policies that prioritize immediate relief without improving the underlying state, motivating reward inference or well-being objectives over engagement proxies.

Policy alignment of large language models refers to constrained policy optimization, where the policy is optimized to maximize a reward while staying close to a reference policy based on an $f$-divergence like $\mathsf{KL}$ divergence. The best of $n$ alignment policy selects the sample with the highest reward from $n$ independent samples. Recent work shows that the reward improvement of the aligned policy scales as $\sqrt{\mathsf{KL}}$, with an explicit bound on the $\mathsf{KL}$ for best of $n$ policies. We show that this $\sqrt{\mathsf{KL}}$ bound holds if the reference policy’s reward has sub-gaussian tails. For best of $n$ policies, the $\mathsf{KL}$ bound applies to any $f$-divergence through a reduction to exponential order statistics using the Rényi representation. Tighter control can be achieved with Rényi divergence if additional tail information is known. Finally, we demonstrate how these bounds transfer to golden rewards, resulting in decreased golden reward improvement due to proxy reward overestimation and approximation errors.