NeurIPS 2025 论文列表

We study the problem of likelihood maximization when the likelihood function is intractable but model simulations are readily available. We propose a sequential, gradient-based optimization method that directly models the Fisher score based on a local score matching technique which uses simulations from a localized region around each parameter iterate. By employing a linear parameterization for the surrogate score model, our technique admits a closed-form, least-squares solution. This approach yields a fast, flexible, and efficient approximation to the Fisher score, effectively smoothing the likelihood objective and mitigating the challenges posed by complex likelihood landscapes. We provide theoretical guarantees for our score estimator, including bounds on the bias introduced by the smoothing. Empirical results on a range of synthetic and real-world problems demonstrate the superior performance of our method compared to existing benchmarks.

Longitudinal multimodal data, including electronic health records (EHR) and sequential chest X-rays (CXRs), is critical for modeling disease progression, yet remains underutilized due to two key challenges: (1) redundancy in consecutive CXR sequences, where static anatomical regions dominate over clinically-meaningful dynamics, and (2) temporal misalignment between sparse, irregular imaging and continuous EHR data. We introduce $\texttt{DiPro}$, a novel framework that addresses these challenges through region-aware disentanglement and multi-timescale alignment. First, we disentangle static (anatomy) and dynamic (pathology progression) features in sequential CXRs, prioritizing disease-relevant changes. Second, we hierarchically align these static and dynamic CXR features with asynchronous EHR data via local (pairwise interval-level) and global (full-sequence) synchronization to model coherent progression pathways. Extensive experiments on the MIMIC dataset demonstrate that $\texttt{DiPro}$ could effectively extract temporal clinical dynamics and achieve state-of-the-art performance on both disease progression identification and general ICU prediction tasks.

Sparse Mixture of Experts (MoE) architectures have emerged as a promising approach for scaling Transformer models. While initial works primarily incorporated MoE into feed-forward network (FFN) layers, recent studies have explored extending the MoE paradigm to attention layers to enhance model performance. However, existing attention-based MoE layers require specialized implementations and demonstrate suboptimal performance compared to their FFN-based counterparts. In this paper, we aim to unify MoE designs in attention and FFN layers by introducing a novel reformulation of the attention mechanism, that reveals an underlying FFN-like structure within attention modules. Our proposed architecture, UMoE, achieves superior performance through attention-based MoE layers while enabling efficient parameter sharing between FFN and attention components.

Current text-to-image (T2I) models often fail to account for diverse human experiences, leading to misaligned systems. We advocate for pluralism in AI alignment, where an AI understands and is steerable towards diverse, and often conflicting, human values. Our work provides three core contributions to achieve this in T2I models. First, we introduce a novel dataset for Diverse Intersectional Visual Evaluation (DIVE) -- the first multimodal dataset for pluralistic alignment. It enables deep alignment to diverse safety perspectives through a large pool of demographically intersectional human raters who provided extensive feedback across 1000 prompts, with high replication, capturing nuanced safety perceptions. Second, we empirically confirm demographics as a crucial proxy for diverse viewpoints in this domain, revealing significant, context-dependent differences in harm perception that diverge from conventional evaluations. Finally, we discuss implications for building aligned T2I models, including efficient data collection strategies, LLM judgment capabilities, and model steerability towards diverse perspectives. This research offers foundational tools for more equitable and aligned T2I systems. Content Warning: The paper includes sensitive content that may be harmful.

Data-driven methods offer efficient and robust solutions for analyzing complex dynamical systems but rely on the assumption of I.I.D. data, driving the development of generalization techniques for handling environmental differences. These techniques, however, are limited by their dependence on environment labels, which are often unavailable during training due to data acquisition challenges, privacy concerns, and environmental variability, particularly in large public datasets and privacy-sensitive domains. In response, we propose DynaInfer, a novel method that infers environment specifications by analyzing prediction errors from fixed neural networks within each training round, enabling environment assignments directly from data. We prove our algorithm effectively solves the alternating optimization problem in unlabeled scenarios and validate it through extensive experiments across diverse dynamical systems. Results show that DynaInfer outperforms existing environment assignment techniques, converges rapidly to true labels, and even achieves superior performance when environment labels are available.

Training Large Language Models (LLMs) is prohibitively expensive, creating a critical scaling gap where insights from small-scale experiments often fail to transfer to resource-intensive production systems, thereby hindering efficient innovation. To bridge this, we introduce Farseer, a novel and refined scaling law offering enhanced predictive accuracy across scales. By systematically constructing a model loss surface $L(N,D)$, Farseer achieves a significantly better fit to empirical data than prior laws (e.g., \Chinchilla's law). Our methodology yields accurate, robust, and highly generalizable predictions, demonstrating excellent extrapolation capabilities, outperforming Chinchilla's law, whose extrapolation error is 433\% higher. This allows for the reliable evaluation of competing training strategies across all $(N,D)$ settings, enabling conclusions from small-scale ablation studies to be confidently extrapolated to predict large-scale performance. Furthermore, Farseer provides new insights into optimal compute allocation, better reflecting the nuanced demands of modern LLM training. To validate our approach, we trained an extensive suite of approximately 1,000 LLMs across diverse scales and configurations, consuming roughly 3 million NVIDIA H100 GPU hours. To foster further research, we are comprehensively open-sourcing all code, data, results (https://github.com/Farseer-Scaling-Law/Farseer), all training logs (https://wandb.ai/billzid/Farseer?nw=nwuserbillzid), all models used in scaling law fitting (https://huggingface.co/Farseer-Scaling-Law).

Computing eigenvalues of very large matrices is a critical task in many machine learning applications, including the evaluation of log-determinants, the trace of matrix functions, and other important metrics. As datasets continue to grow in scale, the corresponding covariance and kernel matrices become increasingly large, often reaching magnitudes that make their direct formation impractical or impossible. Existing techniques typically rely on matrix-vector products, which can provide efficient approximations, if the matrix spectrum behaves well. However, in settings like distributed learning, or when the matrix is defined only indirectly, access to the full data set can be restricted to only very small sub-matrices of the original matrix. In these cases, the matrix of nominal interest is not even available as an implicit operator, meaning that even matrix-vector products may not be available. In such settings, the matrix is "impalpable", in the sense that we have access to only masked snapshots of it. We draw on principles from free probability theory to introduce a novel method of "free decompression" to estimate the spectrum of such matrices. Our method can be used to extrapolate from the empirical spectral densities of small submatrices to infer the eigenspectrum of extremely large (impalpable) matrices (that we cannot form or even evaluate with full matrix-vector products). We demonstrate the effectiveness of this approach through a series of examples, comparing its performance against known limiting distributions from random matrix theory in synthetic settings, as well as applying it to submatrices of real-world datasets, matching them with their full empirical eigenspectra.

Transformer-based language models (LMs) have achieved widespread empirical success, but their theoretical expressive power remains only partially understood. In this work, we analyze a restricted idealization of fixed-precision transformers with strict future masking, soft attention, and no positional encodings. We establish that this class of models is exactly as expressive as a specific fragment of linear temporal logic that contains only a single temporal operator: the $\texttt{past}$ operator. We further connect this fragment to established classes in formal language theory, automata theory, and algebra, yielding a unified framework for understanding transformer expressivity under this idealization. Finally, we present empirical results that align closely with our theory: transformers trained on languages within their characterized expressive capacity generalize reliably across sequence lengths, while they consistently fail to generalize on languages beyond it.

Game-theoretic algorithms are commonly benchmarked on recreational games, classical constructs from economic theory such as congestion and dispersion games, or entirely random game instances. While the past two decades have seen the rise of security games -- grounded in real-world scenarios like patrolling and infrastructure protection -- their practical evaluation has been hindered by limited access to the datasets used to generate them. In particular, although the structural components of these games (e.g., patrol paths derived from maps) can be replicated, the critical data defining target values -- central to utility modeling -- remain inaccessible. In this paper, we introduce a flexible framework that leverages open-access datasets to generate realistic matrix and security game instances. These include animal movement data for modeling anti-poaching scenarios and demographic and infrastructure data for infrastructure protection. Our framework allows users to customize utility functions and game parameters, while also offering a suite of preconfigured instances. We provide theoretical results highlighting the degeneracy and limitations of benchmarking on random games, and empirically compare our generated games against random baselines across a variety of standard algorithms for computing Nash and Stackelberg equilibria, including linear programming, incremental strategy generation, and self-play with no-regret learners.

The increasing realism of generated images has raised significant concerns about their potential misuse, necessitating robust detection methods. Current approaches mainly rely on training binary classifiers, which depend heavily on the quantity and quality of available generated images. In this work, we propose a novel framework that exploits geometric differences between the data manifolds of natural and generated images. To exploit this difference, we employ a pair of functions engineered to yield consistent outputs for natural images but divergent outputs for generated ones, leveraging the property that their gradients reside in mutually orthogonal subspaces. This design enables a simple yet effective detection method: an image is identified as generated if a transformation along its data manifold induces a significant change in the loss value of a self-supervised model pre-trained on natural images. Further more, to address diminishing manifold disparities in advanced generative models, we leverage normalizing flows to amplify detectable differences by extruding generated images away from the natural image manifold. Extensive experiments demonstrate the efficacy of this method.

Augmenting large language models (LLMs) with external retrieval has become a standard method to address their inherent knowledge cutoff limitations. However, traditional retrieval-augmented generation methods employ static, pre-inference retrieval strategies, making them inadequate for complex tasks involving ambiguous, multi-step, or evolving information needs. Recent advances in test-time scaling techniques have demonstrated significant potential in enabling LLMs to dynamically interact with external tools, motivating the shift toward adaptive inference-time retrieval. Inspired by Information Foraging Theory (IFT), we propose InForage, a reinforcement learning framework that formalizes retrieval-augmented reasoning as a dynamic information-seeking process. Unlike existing approaches, InForage explicitly rewards intermediate retrieval quality, encouraging LLMs to iteratively gather and integrate information through adaptive search behaviors. To facilitate training, we construct a human-guided dataset capturing iterative search and reasoning trajectories for complex, real-world web tasks. Extensive evaluations across general question answering, multi-hop reasoning tasks, and a newly developed real-time web QA dataset demonstrate InForage's superior performance over baseline methods. These results highlight InForage's effectiveness in building robust, adaptive, and efficient reasoning agents. We provide all codes and datasets in the supplementary materials.

Recent progress in speech processing has highlighted that high-quality performance across languages requires substantial training data for each individual language. While existing multilingual datasets cover many languages, they often contain insufficient data for each language, leading to models trained on these datasets to exhibit poor performance on most supported languages. Our work addresses this challenge by introducing a scalable pipeline for constructing speech datasets from parliamentary recordings. The proposed pipeline includes robust components for media retrieval and a two-stage alignment algorithm designed to handle non-verbatim transcripts and long-form audio. Applying this pipeline to recordings from 22 European parliaments, we extract over 61k hours of aligned speech segments, achieving substantial per-language coverage with 19 languages exceeding 1k hours and 22 languages exceeding 500 hours of high-quality speech data. We obtain an average 41.8\% reduction in word error rates over baselines when finetuning an existing ASR model on our dataset, demonstrating the usefulness of our approach.

Novel view synthesis (NVS) is crucial in computer vision and graphics, with wide applications in AR, VR, and autonomous driving. While 3D Gaussian Splatting (3DGS) enables real-time rendering with high appearance fidelity, it suffers from multi-view inconsistencies, limiting geometric accuracy. In contrast, 2D Gaussian Splatting (2DGS) enforces multi-view consistency but compromises texture details. To address these limitations, we propose Exchangeable Gaussian Splatting (EGGS), a hybrid representation that integrates 2D and 3D Gaussians to balance appearance and geometry. To achieve this, we introduce Hybrid Gaussian Rasterization for unified rendering, Adaptive Type Exchange for dynamic adaptation between 2D and 3D Gaussians, and Frequency-Decoupled Optimization that effectively exploits the strengths of each type of Gaussian representation. Our CUDA-accelerated implementation ensures efficient training and inference. Extensive experiments demonstrate that EGGS outperforms existing methods in rendering quality, geometric accuracy, and efficiency, providing a practical solution for high-quality NVS.

Foundation Models (FMs) have demonstrated remarkable success in fields like computer vision and natural language processing, yet their application to combinatorial optimization remains underexplored. Optimization problems, often modeled as graphs, pose unique challenges due to their diverse structures, varying distributions, and NP-hard complexity. To address these challenges, we propose OPTFM, the first graph foundation model for general combinatorial optimization. OPTFM introduces a scalable multi-view graph transformer with hybrid self-attention and cross-attention to model large-scale heterogeneous graphs in $O(N)$ time complexity while maintaining semantic consistency throughout the attention computation. A Dual-level pre-training framework integrates node-level graph reconstruction and instance-level contrastive learning, enabling robust and adaptable representations at multiple levels. Experimental results across diverse optimization tasks show that models trained on OPTFM embeddings without fine-tuning consistently outperform task-specific approaches, establishing a new benchmark for solving combinatorial optimization problems.

Offline Reinforcement Learning (RL) provides a promising avenue for training policies from pre-collected datasets when gathering additional interaction data is infeasible. However, existing offline RL methods often assume stationarity or only consider synthetic perturbations at test time—assumptions that often fail in real-world scenarios characterized by abrupt, time-varying offsets. These offsets can lead to partial observability, causing agents to misperceive their true state and degrade performance. To overcome this challenge, we introduce Forecasting in Non-stationary Offline RL (FORL), a framework that unifies (i) conditional diffusion-based candidate state generation, trained without presupposing any specific form of future non-stationarity, and (ii) zero-shot time-series foundation models. FORL targets environments prone to unexpected, potentially non-Markovian offsets, requiring robust agent performance from the onset of each episode. Empirical evaluations on offline RL benchmarks, augmented with real-world time-series data to simulate realistic non-stationarity, demonstrate that FORL consistently improves performance compared to competitive baselines. By integrating zero-shot forecasting with the agent’s experience we aim to bridge the gap between offline RL and the complexity of real-world, non-stationary environments.

Recent work on large language models (LLMs) has increasingly focused on post-training and alignment with datasets curated to enhance instruction following, world knowledge, and specialized skills. However, most post-training datasets used in leading open- and closed-source LLMs remain inaccessible to the public, with limited information about their construction process. This lack of transparency has motivated the recent development of open-source post-training corpora. While training on these open alternatives can yield performance comparable to that of leading models, systematic comparisons remain challenging due to the significant computational cost of conducting them rigorously at scale, and are therefore largely absent. As a result, it remains unclear how specific samples, task types, or curation strategies influence downstream performance when assessing data quality. In this work, we conduct the first comprehensive side-by-side analysis of two prominent open post-training datasets: Tulu-3-SFT-Mix and SmolTalk. Using the Magpie framework, we annotate each sample with detailed quality metrics, including turn structure (single-turn vs. multi-turn), task category, input quality, and response quality, and we derive statistics that reveal structural and qualitative similarities and differences between the two datasets. Based on these insights, we design a principled curation recipe that produces a new data mixture, **TuluTalk**, which contains 14% fewer samples than either source dataset while matching or exceeding their performance on key benchmarks. Our findings offer actionable insights for constructing more effective post-training datasets that improve model performance within practical resource limits. To support future research, we publicly release both the annotated source datasets and our curated TuluTalk mixture.

We introduce FlexOLMo, a new class of language models (LMs) that supports (1) distributed training without data sharing, where different model parameters are independently trained on private datasets, and (2) data-flexible inference, where these parameters along with their associated data can be easily included or excluded from model inferences with no further training. FlexOLMo employs a mixture-of-experts (MoE) architecture where each expert is trained independently on private datasets and later integrated through a new nonparametric routing without any joint training across datasets. FlexOLMo is trained on FLEXMIX, a corpus we curate comprising seven restricted sets, either real or realistic approximations, alongside publicly available datasets. We evaluate models with up to 37 billion parameters (20 billion active) on 31 diverse downstream tasks. We show that a general expert trained on public data can be effectively combined with independently trained experts from other data owners significantly benefiting from these restricted sets (an average 41% relative improvement) while allowing flexible opt-out at inference time (e.g., for users without appropriate licenses or permissions). Our approach also outperforms prior model merging methods by 10.1% on average and surpasses the standard MoE trained without data restrictions using the same training FLOPs. Altogether, FlexOLMo enables training on restricted data while keeping data local and supports fine-grained control of data access at inference.

In explainable AI, DNN gradients are used to interpret the prediction; in safety-critical control systems, gradients could encode safety constraints; in scientific-computing applications, gradients could encode physical invariants. While recent work on provable editing of DNNs has focused on input-output constraints, the problem of enforcing hard constraints on DNN gradients remains unaddressed. We present ProGrad, the first efficient approach for editing the parameters of a DNN to provably enforce hard constraints on the DNN gradients. Given a DNN $\mathcal{N}$ with parameters $\theta$, and a set $\mathcal{S}$ of pairs $(\mathrm{x}, \mathrm{Q})$ of input $\mathrm{x}$ and corresponding linear gradient constraints $\mathrm{Q}$, ProGrad finds new parameters $\theta'$ such that $\bigwedge_{(\mathrm{x}, \mathrm{Q}) \in \mathcal{S}} \frac{\partial}{\partial \mathrm{x}}\mathcal{N}(\mathrm{x}; \theta') \in \mathrm{Q}$ while minimizing the changes $\lVert\theta' - \theta\rVert$. The key contribution is a novel *conditional variable gradient* of DNNs, which relaxes the NP-hard provable gradient editing problem to a linear program (LP), enabling ProGrad to use an LP solver to efficiently and effectively enforce the gradient constraints. We experimentally evaluated ProGrad via enforcing (i) hard Grad-CAM constraints on ImageNet ResNet DNNs; (ii) hard Integrated Gradients constraints on Llama 3 and Qwen 3 LLMs; (iii) hard gradient constraints in training a DNN to approximate a target function as a proxy for safety constraints in control systems and physical invariants in scientific applications. The results highlight the unique capability of ProGrad in enforcing hard constraints on DNN gradients.

We address the challenge of relighting a single image or video, a task that demands precise scene intrinsic understanding and high-quality light transport synthesis. Existing end-to-end relighting models are often limited by the scarcity of paired multi-illumination data, restricting their ability to generalize across diverse scenes. Conversely, two-stage pipelines that combine inverse and forward rendering can mitigate data requirements but are susceptible to error accumulation and often fail to produce realistic outputs under complex lighting conditions or with sophisticated materials. In this work, we introduce a general-purpose approach that jointly estimates albedo and synthesizes relit outputs in a single pass, harnessing the generative capabilities of video diffusion models. This joint formulation enhances implicit scene comprehension and facilitates the creation of realistic lighting effects and intricate material interactions, such as shadows, reflections, and transparency. Trained on synthetic multi-illumination data and extensive automatically labeled real-world videos, our model demonstrates strong generalization across diverse domains and surpasses previous methods in both visual fidelity and temporal consistency. Our project page is https://research.nvidia.com/labs/toronto-ai/UniRelight/.