NeurIPS 2025 论文列表

Heterogeneity poses a fundamental challenge for many real-world large-scale decision-making problems but remains largely understudied. In this paper, we study the _fully heterogeneous_ setting of a prominent class of such problems, known as weakly-coupled Markov decision processes (WCMDPs). Each WCMDP consists of $N$ arms (or subproblems), which have distinct model parameters in the fully heterogeneous setting, leading to the curse of dimensionality when $N$ is large. We show that, under mild assumptions, an efficiently computable policy achieves an $O(1/\sqrt{N})$ optimality gap in the long-run average reward per arm for fully heterogeneous WCMDPs as $N$ becomes large. This is the _first asymptotic optimality result_ for fully heterogeneous average-reward WCMDPs. Our main technical innovation is the construction of projection-based Lyapunov functions that certify the convergence of rewards and costs to an optimal region, even under full heterogeneity.

Synthetic time series generated by diffusion models enable sharing privacy-sensitive datasets, such as patients' functional MRI records. Key criteria for synthetic data include high data utility and traceability to verify the data source. Recent watermarking methods embed in homogeneous latent spaces, but state-of-the-art time series generators operate in data space, making latent-based watermarking incompatible. This creates the challenge of watermarking directly in data space while handling feature heterogeneity and temporal dependencies. We propose TimeWak, the first watermarking algorithm for multivariate time series diffusion models. To handle temporal dependence and spatial heterogeneity, TimeWak embeds a temporal chained-hashing watermark directly within the temporal-feature data space. The other unique feature is the $\epsilon$-exact inversion, which addresses the non-uniform reconstruction error distribution across features from inverting the diffusion process to detect watermarks. We derive the error bound of inverting multivariate time series while preserving robust watermark detectability. We extensively evaluate TimeWak on its impact on synthetic data quality, watermark detectability, and robustness under various post-editing attacks, against five datasets and baselines of different temporal lengths. Our results show that TimeWak achieves improvements of 61.96% in context-FID score, and 8.44% in correlational scores against the strongest state-of-the-art baseline, while remaining consistently detectable.

Understanding and decoding human brain activity from electroencephalography (EEG) signals is a fundamental problem in neuroscience and artificial intelligence, with applications ranging from cognition and emotion recognition to clinical diagnosis and brain–computer interfaces. While recent EEG foundation models have made progress in generalized brain decoding by leveraging unified architectures and large-scale pretraining, they inherit a scale-agnostic dense modeling paradigm from NLP and vision. This design overlooks an intrinsic property of neural activity—cross-scale spatiotemporal structure. Different EEG task patterns span a broad range of temporal and spatial scales, from brief neural activations to slow-varying rhythms, and from localized cortical activations to large-scale distributed interactions. Ignoring this diversity may lead to suboptimal representations and weakened generalization ability. To address these limitations, we propose CSBrain, a Cross-scale Spatiotemporal Brain foundation model for generalized EEG decoding. CSBrain introduces two key components: (i) Cross-scale Spatiotemporal Tokenization (CST), which aggregates multi-scale features within localized temporal windows and anatomical brain regions into compact scale-aware token representations; and (ii) Structured Sparse Attention (SSA), which models cross-window and cross-region dependencies for diverse decoding tasks, further enriching scale diversities while eliminating the spurious dependencies. CST and SSA are alternately stacked to progressively integrate cross-scale spatiotemporal dependencies. Extensive experiments across 11 representative EEG tasks and 16 datasets demonstrate that CSBrain consistently outperforms both task-specific models and strong foundation baselines. These results establish cross-scale modeling as a key inductive bias for generalized EEG decoding and highlight CSBrain as a robust backbone for future brain–AI research.

Contrastive Language-Image Pretraining (CLIP) is a popular foundation model, supporting from zero-shot classification, retrieval to encoders for multimodal large language models (MLLMs). Although CLIP is successfully trained on billion-scale image-text pairs from the English world, scaling CLIP's training further to learning from the worldwide web data is still challenging: (1) no curation method is available to handle data points from non-English world; (2) the English performance from existing multilingual CLIP is worse than its English-only counterpart, i.e., "curse of multilinguality" that is common in LLMs. Here, we present Meta CLIP 2, the first recipe training CLIP from scratch on worldwide web-scale image-text pairs. To generalize our findings, we conduct rigorous ablations with minimal changes that are necessary to address the above challenges and present a recipe enabling mutual benefits from English and non-English world data. In zero-shot ImageNet classification, Meta CLIP 2 ViT-H/14 surpasses its English-only counterpart by 0.8% and mSigLIP by 0.7%, and surprisingly sets new state-of-the-art without system-level confounding factors (e.g., translation, bespoke architecture changes) on multilingual benchmarks, such as CVQA with 57.4%, Babel-ImageNet with 50.2% and XM3600 with 64.3% on image-to-text retrieval. Code and model are available at https://github.com/facebookresearch/MetaCLIP.

Among explainability techniques, SHAP stands out as one of the most popular, but often overlooks the causal structure of the problem. In response, do-SHAP employs interventional queries, but its reliance on estimands hinders its practical application. To address this problem, we propose the use of estimand-agnostic approaches, which allow for the estimation of any identifiable query from a single model, making do-SHAP feasible on complex graphs. We also develop a novel algorithm to significantly accelerate its computation at a negligible cost, as well as a method to explain inaccessible Data Generating Processes. We demonstrate the estimation and computational performance of our approach, and validate it on two real-world datasets, highlighting its potential in obtaining reliable explanations.

The ultimate goal of code agents is to solve complex tasks autonomously. Although large language models (LLMs) have made substantial progress in code generation, real-world tasks typically demand full-fledged code repositories rather than simple scripts. Building such repositories from scratch remains a major challenge. Fortunately, GitHub hosts a vast, evolving collection of open-source repositories, which developers frequently reuse as modular components for complex tasks. Yet, existing frameworks like OpenHands and SWE-Agent still struggle to effectively leverage these valuable resources. Relying solely on README files provides insufficient guidance, and deeper exploration reveals two core obstacles: overwhelming information and tangled dependencies of repositories, both constrained by the limited context windows of current LLMs. To tackle these issues, we propose RepoMaster, an autonomous agent framework designed to explore and reuse GitHub repositories for solving complex tasks. For efficient understanding, RepoMaster constructs function-call graphs, module-dependency graphs, and hierarchical code trees to identify essential components, providing only identified core elements to the LLMs rather than the entire repository. During autonomous execution, it progressively explores related components using our exploration tools and prunes information to optimize context usage. Evaluated on the adjusted MLE-bench, RepoMaster achieves a 110\% relative boost in valid submissions over the strongest baseline OpenHands. On our newly released GitTaskBench, RepoMaster lifts the task-pass rate from 40.7% to 62.9% while reducing token usage by 95%. Our code and demonstration materials are publicly available at https://github.com/QuantaAlpha/RepoMaster.

Transformer language models have demonstrated impressive generalization capabilities in natural language domains, yet we lack a fine-grained understanding of how such generalization arises. In this paper, we investigate length generalization—the ability to extrapolate from shorter to longer inputs—through the lens of \textit{task transfer}. We find that length generalization can be \textit{transferred} across related tasks. That is, training a model with a longer and related auxiliary task can lead the model to generalize to unseen and longer inputs from some other target task. We demonstrate this length generalization transfer across a diverse suite of algorithmic tasks, including arithmetic operations, string transformations, and maze navigation. Our results show that transformer models can inherit generalization capabilities from similar tasks when trained jointly. Moreover, we observe similar transfer effects in pretrained language models, suggesting that pretraining equips models with reusable computational scaffolding that facilitates extrapolation in downstream settings. Finally, we provide initial mechanistic evidence that length generalization transfer correlates with the re-use of the same attention heads between the tasks. Together, our findings deepen our understanding of how transformers generalize to out-of-distribution inputs and highlight the compositional reuse of inductive structure across tasks.

This paper presents a pioneering exploration of reinforcement learning (RL) via group relative policy optimization for unified multimodal large language models (ULMs), aimed at simultaneously reinforcing generation and understanding capabilities. Through systematic pilot studies, we uncover the significant potential of ULMs to enable the synergistic co-evolution of dual capabilities within a shared policy optimization framework. Building on this insight, we introduce \textbf{CoRL}, a \textbf{Co}-\textbf{R}einforcement \textbf{L}earning framework comprising a unified RL stage for joint optimization and a refined RL stage for task-specific enhancement. With the proposed CoRL, our resulting model, \textbf{ULM-R1}, achieves average improvements of 7\% on three text-to-image generation datasets and 23\% on nine multimodal understanding benchmarks. These results demonstrate the effectiveness of CoRL and highlight the substantial benefits of reinforcement learning in facilitating cross-task synergy and optimization for ULMs. Code is available at \url{https://github.com/mm-vl/ULM-R1}.

Pre-training datasets are typically collected from web content and lack inherent domain divisions. For instance, widely used datasets like Common Crawl do not include explicit domain labels, while manually curating labeled datasets such as The Pile is labor-intensive. Consequently, identifying an optimal pre-training data mixture remains a challenging problem, despite its significant benefits for pre- training performance. To address these challenges, we propose CLustering-based Iterative Data Mixture Bootstrapping (Nemotron-CLIMB), an automated framework that discovers, evaluates, and refines data mixtures in a pre-training setting. Specifically, Nemotron-CLIMB embeds and clusters large-scale datasets in a semantic space and then iteratively searches for optimal mixtures using a smaller proxy model and a predictor. This strategy enables effective domain adaptation without relying solely on curated data. When continuously trained on 400B tokens with this mixture, our 1B model exceeds the state-of-the-art Llama-3.2-1B by 2.0%. Moreover, we observe that optimizing for a specific domain (e.g., Social Sciences) yields a 5% improvement over random sampling. Finally, we introduce Nemotron-ClimbLab, a filtered 1.2-trillion-token corpus with 20 clusters as a research playground, and Nemotron-ClimbMix, a compact yet powerful 400-billion-token dataset designed for efficient pre-training that delivers superior performance under an equal token budget. We analyze the final data mixture, elucidating the characteristics of an optimal data mixture.

Classical kernel machines have historically faced significant challenges in scaling to large datasets and model sizes—a key ingredient that has driven the success of neural networks. In this paper, we present a new methodology for building kernel machines that can scale efficiently with both data size and model size. Our algorithm introduces delayed projections to Preconditioned Stochastic Gradient Descent (PSGD) allowing the training of much larger models than was previously feasible. We validate our algorithm, \EP4, across multiple datasets, demonstrating drastic training speedups without compromising the performance. Our implementation is publicly available at: https://github.com/EigenPro/EigenPro .

Dexterous manipulation is critical for advancing robot capabilities in real-world applications, yet diverse and high-quality datasets remain scarce. Existing data collection methods either rely on human teleoperation or require significant human engineering, or generate data with limited diversity, which restricts their scalability and generalization. In this paper, we introduce DexFlyWheel, a scalable data generation framework that employs a self-improving cycle to continuously enrich data diversity. Starting from efficient seed demonstrations warmup, DexFlyWheel expands the dataset through iterative cycles. Each cycle follows a closed-loop pipeline that integrates Imitation Learning (IL), residual Reinforcement Learning (RL), rollout trajectory collection, and data augmentation. Specifically, IL extracts human-like behaviors from demonstrations, and residual RL enhances policy generalization. The learned policy is then used to generate trajectories in simulation, which are further augmented across diverse environments and spatial configurations before being fed back into the next cycle. Over successive iterations, a self-improving data flywheel effect emerges, producing datasets that cover diverse scenarios and thereby scaling policy performance. Experimental results demonstrate that DexFlyWheel generates over 2,000 diverse demonstrations across four challenging tasks. Policies trained on our dataset achieve an average success rate of 81.9\% on the challenge test sets and successfully transfer to the real world through digital twin, achieving a 78.3\% success rate on dual-arm lift tasks.

Model fusion combines multiple Large Language Models (LLMs) with different strengths into a more powerful, integrated model through lightweight training methods. Existing works on model fusion focus primarily on supervised fine-tuning (SFT), leaving preference alignment (PA) —a critical phase for enhancing LLM performance—largely unexplored. The current few fusion methods on PA phase, like WRPO, simplify the process by utilizing only response outputs from source models while discarding their probability information. To address this limitation, we propose InfiFPO, a preference optimization method for implicit model fusion. InfiFPO replaces the reference model in Direct Preference Optimization (DPO) with a fused source model that synthesizes multi-source probabilities at the sequence level, circumventing complex vocabulary alignment challenges in previous works and meanwhile maintaining the probability information. By introducing probability clipping and max-margin fusion strategies, InfiFPO enables the pivot model to align with human preferences while effectively distilling knowledge from source models. Comprehensive experiments on 11 widely-used benchmarks demonstrate that InfiFPO consistently outperforms existing model fusion and preference optimization methods. When using Phi-4 as the pivot model, InfiFPO improves its average performance from 79.95 to 83.33 on 11 benchmarks, significantly improving its capabilities in mathematics, coding, and reasoning tasks.

Many high-dimensional optimisation problems exhibit rich geometric structures in their set of minimisers, often forming smooth manifolds due to over-parametrisation or symmetries. When this structure is known, at least locally, it can be exploited through reduction mappings that reparametrise part of the parameter space to lie on the solution manifold. These reductions naturally arise from inner optimisation problems and effectively remove redundant directions, yielding a lower-dimensional objective. In this work, we introduce a general framework to understand how such reductions influence the optimisation landscape. We show that well-designed reduction mappings improve curvature properties of the objective, leading to better-conditioned problems and theoretically faster convergence for gradient-based methods. Our analysis unifies a range of scenarios where structural information at optimality is leveraged to accelerate convergence, offering a principled explanation for the empirical gains observed in such optimisation algorithms.

We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning methods often violate the true constraints due to model error or data limitations, our C-MICL approach leverages conformal prediction to ensure feasible solutions are ground-truth feasible with probability at least $1{-}\alpha$, under a conditional independence assumption. The proposed framework supports both regression and classification tasks without requiring access to the true constraint function, while avoiding the scalability issues associated with ensemble-based heuristics. Experiments on real-world applications demonstrate that C-MICL consistently achieves target feasibility rates, maintains competitive objective performance, and significantly reduces computational cost compared to existing methods. Our work bridges mathematical optimization and machine learning, offering a principled approach to incorporate uncertainty-aware constraints into decision-making with rigorous statistical guarantees.

We say that a classifier is $\text{\emph{adversarially robust}}$ to perturbations of norm $r$ if, with high probability over a point $x$ drawn from the input distribution, there is no point within distance $\le r$ from $x$ that is classified differently. The $\text{\emph{boundary volume}}$ is the probability that a point falls within distance $r$ of a point with a different label. This work studies the task of learning a hypothesis with small boundary volume, where the input is distributed as a subgaussian isotropic log-concave distribution over $\mathbb{R}^d$. Linear threshold functions are adversarially robust; they have boundary volume proportional to $r$. Such concept classes are efficiently learnable by polynomial regression, which produces a polynomial threshold function (PTF), but PTFs in general may have boundary volume $\Omega(1)$, even for $r \ll 1$. We give an algorithm that agnostically learns linear threshold functions and returns a classfier with boundary volume $O(r+\varepsilon)$ at radius of perturbation $r$. The time and sample complexity of $d^{\tilde{O}(1/\varepsilon^2)}$ matches the complexity of polynomial regression. Our algorithm augments the classic approach of polynomial regression with three additional steps:\ $\quad$ a) performing the $\ell_1$-error regression under $\ell_1$ noise sensitivity constraints,\ $\quad$ b) a structured partitioning and rounding step that returns a Boolean classifier with error $\mathrm{opt} + O(\varepsilon)$ and noise sensitivity $O(r+\varepsilon)$ simultaneously, and \ $\quad c)$ a local corrector that ``smooths'' a function with low noise sensitivity into a function that is adversarially robust.

Different gradient-based methods for optimizing overparameterized models can all achieve zero training error yet converge to distinctly different solutions inducing different generalization properties. We provide the first complete characterization of implicit optimization bias for p-norm normalized steepest descent (NSD) and momentum steepest descent (NMD) algorithms in multi-class linear classification with cross-entropy loss. Our key theoretical contribution is proving that these algorithms converge to solutions maximizing the margin with respect to the classifier matrix's p-norm, with established convergence rates. These results encompass important special cases including Spectral Descent and Muon, which we show converge to max-margin solutions with respect to the spectral norm. A key insight of our contribution is that the analysis of general entry-wise and Schatten p-norms can be reduced to the analysis of NSD/NMD with max-norm by exploiting a natural ordering property between all p-norms relative to the max-norm and its dual sum-norm. For the specific case of descent with respect to the max-norm, we further extend our analysis to include preconditioning, showing that Adam converges to the matrix's max-norm solution. Our results demonstrate that the multi-class linear setting, which is inherently richer than the binary counterpart, provides the most transparent framework for studying implicit biases of matrix-parameter optimization algorithms.

Language model activations entangle concepts that mediate their behavior, making it difficult to interpret these factors, which has implications for generalizability and robustness. We introduce an approach for disentangling these concepts without supervision. Existing methods for concept discovery often rely on external labels, contrastive prompts, or known causal structures, which limits their scalability and biases them toward predefined, easily annotatable features. In contrast, we propose a new unsupervised algorithm that identifies causal differentiating concepts—interpretable latent directions in LM activations that must be changed to elicit a different model behavior. These concepts are discovered using a constrained contrastive learning objective, guided by the insight that eliciting a target behavior requires only sparse changes to the underlying concepts. We formalize this notion and show that, under a particular assumption about the sparsity of these causal differentiating concepts, our method learns disentangled representations that align with human-interpretable factors influencing LM decisions. We empirically show the ability of our method to recover ground-truth causal factors in synthetic and semi-synthetic settings. Additionally, we illustrate the utility of our method through a case study on refusal behavior in language models. Our approach offers a scalable and interpretable lens into the internal workings of LMs, providing a principled foundation for interpreting language model behavior.

Machine learning is now ubiquitous in societal decision-making, for example in evaluating job candidates or loan applications, and it is increasingly important to take into account how classified agents will react to the learning algorithms. The majority of recent literature on strategic classification has focused on reducing and countering deceptive behaviors by the classified agents, but recent work of Attias et al. identifies surprising properties of learnability when the agents genuinely improve in order to attain the desirable classification, such as smaller generalization error than standard PAC-learning. In this paper we characterize so-called learnability with improvements across multiple new axes. We introduce an asymmetric variant of minimally consistent concept classes and use it to provide an exact characterization of proper learning with improvements in the realizable setting. While prior work studies learnability only under general, arbitrary agent improvement regions, we give positive results for more natural Euclidean ball improvement sets. In particular, we characterize improper learning under a generative assumption on the data distribution. We further show how to learn in more challenging settings, achieving lower generalization error under well-studied bounded noise models and obtaining mistake bounds in realizable and agnostic online learning. We resolve open questions posed by Attias et al. for both proper and improper learning.

We propose a novel energy function for Dense Associative Memory (DenseAM) networks, the log-sum-ReLU (LSR), inspired by optimal kernel density estimation. Unlike the common log-sum-exponential (LSE) function, LSR is based on the Epanechnikov kernel and enables exact memory retrieval with exponential capacity without requiring exponential separation functions. Uniquely, it introduces abundant additional emergent local minima while preserving perfect pattern recovery --- a characteristic previously unseen in DenseAM literature. Empirical results show that LSR energy has significantly more local minima (memories) that have comparable log-likelihood to LSE-based models. Analysis of LSR's emergent memories on image datasets reveals a degree of creativity and novelty, hinting at this method's potential for both large-scale memory storage and generative tasks.