NeurIPS 2025 Papers

Deep ensembles deliver state-of-the-art, reliable uncertainty quantification, but their heavy computational and memory requirements hinder their practical deployments to real applications such as on-device AI. Knowledge distillation compresses an ensemble into small student models, but existing techniques struggle to preserve uncertainty partly because reducing the size of DNNs typically results in variation reduction. To resolve this limitation, we introduce a new method of distribution distillation (i.e. compressing a teacher ensemble into a student distribution instead of a student ensemble) called Gaussian distillation, which estimates the distribution of a teacher ensemble through a special Gaussian process called the deep latent factor model (DLF) by treating each member of the teacher ensemble as a realization of a certain stochastic process. The mean and covariance functions in the DLF model are estimated stably by using the expectation-maximization (EM) algorithm. By using multiple benchmark datasets, we demonstrate that the proposed Gaussian distillation outperforms existing baselines. In addition, we illustrate that Gaussian distillation works well for fine-tuning of language models and distribution shift problems.

3D Gaussian Splatting (3DGS) has demonstrated impressive performance in novel view synthesis under dense-view settings. However, in sparse-view scenarios, despite the realistic renderings in training views, 3DGS occasionally manifests appearance artifacts in novel views. This paper investigates the appearance artifacts in sparse-view 3DGS and uncovers a core limitation of current approaches: the optimized Gaussians are overly-entangled with one another to aggressively fit the training views, which leads to a neglect of the real appearance distribution of the underlying scene and results in appearance artifacts in novel views. The analysis is based on a proposed metric, termed Co-Adaptation Score (CA), which quantifies the entanglement among Gaussians, i.e., co-adaptation, by computing the pixel-wise variance across multiple renderings of the same viewpoint, with different random subsets of Gaussians. The analysis reveals that the degree of co-adaptation is naturally alleviated as the number of training views increases. Based on the analysis, we propose two lightweight strategies to explicitly mitigate the co-adaptation in sparse-view 3DGS: (1) random gaussian dropout; (2) multiplicative noise injection to the opacity. Both strategies are designed to be plug-and-play, and their effectiveness is validated across various methods and benchmarks. We hope that our insights into the co-adaptation effect will inspire the community to achieve a more comprehensive understanding of sparse-view 3DGS.

Direct Preference Optimization (DPO) has emerged as a simple and effective approach for aligning large language models (LLMs) with human preferences, bypassing the need for a learned reward model. Despite its growing adoption, a fundamental question remains open: what characteristics of preference data are most critical for DPO performance? In this work, we provide a systematic study of how preference data distribution influences DPO, from both theoretical and empirical perspectives. We show that the quality of chosen responses plays a dominant role in optimizing the DPO objective, while the quality of rejected responses may have relatively limited impact. Our theoretical analysis characterizes the optimal response distribution under DPO and reveals how contrastiveness between responses helps primarily by improving the chosen samples. We further study an online DPO setting and show it effectively reduces to supervised fine-tuning on the chosen responses. Extensive experiments across diverse tasks confirm our findings: improving the quality of chosen responses consistently boosts performance regardless of the quality of the rejected responses. We also investigate the benefit of mixing the on-policy data. Our results interpret the mechanism behind some widely adopted strategies and offer practical insights for constructing high-impact preference datasets for LLM alignment.

Reuse of data in adaptive workflows poses challenges regarding overfitting and the statistical validity of results. Previous work has demonstrated that interacting with data via differentially private algorithms can mitigate overfitting, achieving worst-case generalization guarantees with asymptotically optimal data requirements. However, such past work assumes data is _static_ and cannot accommodate situations where data _grows_ over time. In this paper we address this gap, presenting the first generalization bounds for adaptive analysis on dynamic data. We allow the analyst to adaptively _schedule_ their queries conditioned on the current size of the data, in addition to previous queries and responses. We also incorporate time-varying empirical accuracy bounds and mechanisms, allowing for tighter guarantees as data accumulates. In a batched query setting, the asymptotic data requirements of our bound grows with the square-root of the number of adaptive queries, matching prior works' improvement over data splitting for the static setting. We instantiate our bound for statistical queries with the clipped Gaussian mechanism, where it empirically outperforms baselines composed from static bounds.

We propose an online conformal prediction framework under local differential privacy to address the emerging challenge of privacy-preserving uncertainty quantification in streaming data environments. Our method constructs dynamic, model-free prediction sets based on randomized binary inquiries, ensuring rigorous privacy protection without requiring access to raw data. Importantly, the proposed algorithm can be conducted in a one-pass online manner, leading to high computational efficiency and minimal storage requirements with $\mathcal{O}(1)$ space complexity, making it particularly suitable for real-time applications. The proposed framework is also broadly applicable to both regression and classification tasks, adapting flexibly to diverse predictive settings. We establish theoretical guarantees for long-run coverage at a target confidence level, ensuring statistical reliability under strict privacy constraints. Extensive empirical evaluations on both simulated and real-world datasets demonstrate that the proposed method delivers accurate, stable, and privacy-preserving predictions across a range of dynamic environments.

We introduce Reasoning Gym, a library of reasoning environments for reinforcement learning with verifiable rewards (RLVR). It provides over 100 tasks spanning multiple domains including algebra, arithmetic, computation, cognition, geometry, graph theory, logic, and various common games. Its key innovation is the ability to generate virtually infinite training data with adjustable complexity, unlike most previous reasoning datasets, which are typically fixed. This procedural generation approach allows for continuous evaluation across varying difficulty levels and task configurations. Our experimental results demonstrate the efficacy of Reasoning Gym in both evaluating and reinforcement learning of reasoning models.

We introduce PlayerOne, the first egocentric realistic world simulator, facilitating immersive and unrestricted exploration within vividly dynamic environments. Given an egocentric scene image from the user, PlayerOne can accurately construct the corresponding world and generate egocentric videos that are strictly aligned with the real-scene human motion of the user captured by an exocentric camera. PlayerOne is trained in a coarse-to-fine pipeline that first performs pretraining on large-scale egocentric text-video pairs for coarse-level egocentric understanding, followed by finetuning on synchronous motion-video data extracted from egocentric-exocentric video datasets with our automatic construction pipeline. Besides, considering the varying importance of different components, we design a part-disentangled motion injection scheme, enabling precise control of part-level movements. In addition, we devise a joint reconstruction framework that progressively models both the 4D scene and video frames, ensuring scene consistency in the long-form video generation. Experimental results demonstrate its great generalization ability in precise control of varying human movements and world-consistent modeling of diverse scenarios. It marks the first endeavor into egocentric real-world simulation and can pave the way for the community to delve into fresh frontiers of world modeling and its diverse applications.

Diffusion Language Models (DLMs) have been seen as a promising competitor for autoregressive language models (ARs). However, diffusion language models have long been constrained by slow inference. A core challenge is that their non‑autoregressive architecture and bidirectional attention preclude the key–value cache that accelerates decoding. We address this bottleneck by proposing a KV-cache-like mechanism, **d**elayed **KV-Cache**, for the denoising process of DLMs. Our approach is motivated by the observation that different tokens have distinct representation dynamics throughout the diffusion process. Accordingly, we propose a delayed and conditioned caching strategy for key and value states. We design two complementary variants to cache key and value step‑by‑step: (1) dKV-Cache-Decode, which provides almost lossless acceleration, and even improves performance on long sequences, suggesting that existing DLMs may under‑utilise contextual information during inference. (2) dKV-Cache‑Greedy, which has aggressive caching with reduced lifespan, achieving higher speed-ups with quadratic time complexity at the cost of some performance degradation. dKV-Cache, in final, achieves from 2-10$\times$ speedup in inference, largely narrowing the gap between ARs and DLMs. We evaluate our dKV-Cache on several benchmarks, delivering acceleration across general language understanding, mathematical, and code‑generation benchmarks. Experiments demonstrate that cache can also be used in DLMs, even in a training-free manner from current DLMs.

Incomplete multi-view data, where certain views are entirely missing for some samples, poses significant challenges for traditional multi-view clustering methods. Existing deep incomplete multi-view clustering approaches often rely on static fusion strategies or two-stage pipelines, leading to suboptimal fusion results and error propagation issues. To address these limitations, this paper proposes a novel incomplete multi-view clustering framework based on Hierarchical Semantic Alignment and Cooperative Completion (HSACC). HSACC achieves robust cross-view fusion through a dual-level semantic space design. In the low-level semantic space, consistency alignment is ensured by maximizing mutual information across views. In the high-level semantic space, adaptive view weights are dynamically assigned based on the distributional affinity between individual views and an initial fused representation, followed by weighted fusion to generate a unified global representation. Additionally, HSACC implicitly recovers missing views by projecting aligned latent representations into high-dimensional semantic spaces and jointly optimizes reconstruction and clustering objectives, enabling cooperative learning of completion and clustering. Experimental results demonstrate that HSACC significantly outperforms state-of-the-art methods on five benchmark datasets. Ablation studies validate the effectiveness of the hierarchical alignment and dynamic weighting mechanisms, while parameter analysis confirms the model's robustness to hyperparameter variations. The code is available at \url{https://github.com/XiaojianDing/2025-NeurIPS-HSACC}.

Large language models (LLMs) have recently achieved notable success in code‑generation benchmarks such as HumanEval and LiveCodeBench. However, a detailed examination reveals that these evaluation suites often comprise only a limited number of homogeneous test cases, resulting in subtle faults going undetected. This not only artificially inflates measured performance but also compromises accurate reward estimation in reinforcement learning frameworks utilizing verifiable rewards (RLVR). To address these critical shortcomings, we systematically investigate the test-case generation (TCG) task by proposing multi-dimensional metrics designed to rigorously quantify test-suite thoroughness. Furthermore, we introduce a human-LLM collaborative method (SAGA), leveraging human programming expertise with LLM reasoning capability, aimed at significantly enhancing both the coverage and the quality of generated test cases. In addition, we develop a TCGBench to facilitate the study of the TCG task. Experiments show that SAGA achieves a detection rate of 90.62\% and a verifier accuracy of 32.58\% on TCGBench. The Verifier Accuracy (Verifier Acc) of the code generation evaluation benchmark synthesized by SAGA is 10.78\% higher than that of LiveCodeBench-v6. These results demonstrate the effectiveness of our proposed method. We hope this work contributes to building a scalable foundation for reliable LLM code evaluation, further advancing RLVR in code generation, and paving the way for automated adversarial test synthesis and adaptive benchmark integration.

Computer-Aided Design (CAD) plays a foundational role in modern manufacturing and product development, often requiring designers to modify or build upon existing models. Converting 3D scans into parametric CAD representations—a process known as CAD reverse engineering—remains a significant challenge due to the high precision and structural complexity of CAD models. Existing deep learning-based approaches typically fall into two categories: bottom-up, geometry-driven methods, which often fail to produce fully parametric outputs, and top-down strategies, which tend to overlook fine-grained geometric details. Moreover, current methods neglect an essential aspect of CAD modeling: sketch-level constraints. In this work, we introduce a novel approach to CAD reverse engineering inspired by how human designers manually perform the task. Our method leverages multi-plane cross-sections to extract 2D patterns and capture fine parametric details more effectively. It enables the reconstruction of detailed and editable CAD models, outperforming state-of-the-art methods and, for the first time, incorporating sketch constraints directly into the reconstruction process.

Long-term time series forecasting (LTSF) aims to predict future trends based on historical data. While longer lookback windows theoretically offer more comprehensive insights, Transformer-based models often struggle with them. On one hand, longer windows introduce more noise and redundancy, hindering the model's learning process. On the other hand, Transformers suffer from attention dispersion and are prone to overfitting to noise, especially when processing long sequences. In this paper, we introduce the Maximum Effective Window (MEW) metric to assess a model's ability to effectively utilize the lookback window. We also propose two model-agnostic modules to enhance MEW, enabling models to better leverage historical data for improved performance. Specifically, to reduce redundancy and noise, we introduce the Information Bottleneck Filter (IBF), which employs information bottleneck theory to extract the most essential subsequences from the input. Additionally, we propose the Hybrid-Transformer-Mamba (HTM), which incorporates the Mamba mechanism for selective forgetting of long sequences while harnessing the Transformer's strong modeling capabilities for shorter sequences. We integrate these two modules into various Transformer-based models, and experimental results show that they effectively enhance MEW, leading to improved overall performance. Our code is available at \url{https://github.com/forever-ly/PIH}.

Existing vision-language models often suffer from spatial hallucinations, i.e., generating incorrect descriptions about the relative positions of objects in an image. We argue that this problem mainly stems from the asymmetric properties between images and text. To enrich the spatial understanding ability of vision-language models, we propose a simple, annotation-free, plug-and-play method named Stitch and Tell (abbreviated as SiTe), which injects structured spatial supervision into multimodal data. It constructs stitched image–text pairs by stitching images along a spatial axis and generating spatially-aware captions or question answer pairs based on the layout of stitched image, without relying on costly advanced models or human involvement. We evaluate SiTe across three architectures including LLaVA-v1.5-7B, LLaVA-Qwen2-1.5B and HALVA-7B, two training datasets, and thirteen benchmarks. Experiments show that SiTe improves spatial understanding tasks such as $\text{MME}_{\text{Position}}$ (+5.50\%) and Spatial-MM (+4.19\%), while maintaining or improving performance on general vision-language benchmarks. Our findings suggest that explicitly injecting spatially-aware structure into training data offers an effective way to mitigate spatial hallucinations and improve spatial understanding, while preserving general vision-language capabilities.

Federated Learning (FL) enables collaborative model training across distributed clients without data sharing, but its high computational and communication demands strain resource-constrained devices. While existing methods use dynamic pruning to improve efficiency by periodically adjusting sparse model topologies while maintaining sparsity, these approaches suffer from issues such as **greedy adjustments**, **unstable topologies**, and **communication inefficiency**, resulting in less robust models and suboptimal performance under data heterogeneity and partial client availability. To address these challenges, we propose **Fed**erated **R**obust pruning via combinatorial **T**hompson **S**ampling (FedRTS),a novel framework designed to develop robust sparse models. FedRTS enhances robustness and performance through its Thompson Sampling-based Adjustment (TSAdj) mechanism, which uses probabilistic decisions informed by stable and farsighted information, instead of deterministic decisions reliant on unstable and myopic information in previous methods. Extensive experiments demonstrate that FedRTS achieves state-of-the-art performance in computer vision and natural language processing tasks while reducing communication costs, particularly excelling in scenarios with heterogeneous data distributions and partial client participation. Our codes are available at: https://github.com/Little0o0/FedRTS.

Side-channel analysis (SCA) poses a real-world threat by exploiting unintentional physical signals to extract secret information from secure devices. Evaluation labs also use the same techniques to certify device security. In recent years, deep learning has emerged as a prominent method for SCA, achieving state-of-the-art attack performance at the cost of interpretability. Understanding how neural networks extract secrets is crucial for security evaluators aiming to defend against such attacks, as only by understanding the attack can one propose better countermeasures. In this work, we apply mechanistic interpretability to neural networks trained for SCA, revealing $\textit{how}$ models exploit $\textit{what}$ leakage in side-channel traces. We focus on sudden jumps in performance to reverse engineer learned representations, ultimately recovering secret masks and moving the evaluation process from black-box to white-box. Our results show that mechanistic interpretability can scale to realistic SCA settings, even when relevant inputs are sparse, model accuracies are low, and side-channel protections prevent standard input interventions.

Self-attention has emerged as a fundamental component driving the success of modern transformer architectures, which power large language models and various applications. However, a theoretical understanding of how such models actually work is still under active development. The recent work of (Marion et al., 2025) introduced the so-called "single-location regression" problem, which can provably be solved by a simplified self-attention layer but not by linear models, thereby demonstrating a striking functional separation. A rigorous analysis of self-attention with softmax for this problem is challenging due to the coupled nature of the model. In the present work, we use ideas from the classical random energy model in statistical physics to analyze softmax self-attention on the single-location problem. Our analysis yields exact analytic expressions for the population risk in terms of the overlaps between the learned model parameters and those of an oracle. Moreover, we derive a detailed description of the gradient descent dynamics for these overlaps and prove that, under broad conditions, the dynamics converge to the unique oracle attractor. Our work not only advances our understanding of self-attention but also provides key theoretical ideas that are likely to find use in further analyses of even more complex transformer architectures.

Sparse decision tree learning provides accurate and interpretable predictive models that are ideal for high-stakes applications by finding the single most accurate tree within a (soft) size limit. Rather than relying on a single “best” tree, Rashomon sets—trees with similar performance but varying structures—can be used to enhance variable importance analysis, enrich explanations, and enable users to choose simpler trees or those that satisfy stakeholder preferences (e.g., fairness) without hard-coding such criteria into the objective function. However, because finding the optimal tree is NP-hard, enumerating the Rashomon set is inherently challenging. Therefore, we introduce SORTD, a novel framework that improves scalability and enumerates trees in the Rashomon set in order of the objective value, thus offering anytime behavior. Our experiments show that SORTD reduces runtime by up to two orders of magnitude compared with the state of the art. Moreover, SORTD can compute Rashomon sets for any separable and totally ordered objective and supports post-evaluating the set using other separable (and partially ordered) objectives. Together, these advances make exploring Rashomon sets more practical in real-world applications.

While recent audio-visual models have demonstrated impressive performance, their robustness to distributional shifts at test-time remains not fully understood. Existing robustness benchmarks mainly focus on single modalities, making them insufficient for thoroughly assessing the robustness of audio-visual models. Motivated by real-world scenarios where shifts can occur $\textit{simultaneously}$ in both audio and visual modalities, we introduce $\texttt{AVROBUSTBENCH}$, a comprehensive benchmark designed to evaluate the test-time robustness of audio-visual recognition models. $\texttt{AVROBUSTBENCH}$ comprises four audio-visual benchmark datasets, $\texttt{AUDIOSET-2C}$, $\texttt{VGGSOUND-2C}$, $\texttt{KINETICS-2C}$, and $\texttt{EPICKITCHENS-2C}$, each incorporating 75 bimodal audio-visual corruptions that are $\textit{co-occurring}$ and $\textit{correlated}$. Through extensive evaluations, we observe that state-of-the-art supervised and self-supervised audio-visual models exhibit declining robustness as corruption severity increases. Furthermore, online test-time adaptation (TTA) methods, on $\texttt{VGGSOUND-2C}$ and $\texttt{KINETICS-2C}$, offer minimal improvements in performance under bimodal corruptions. We further propose $\texttt{AV2C}$, a simple TTA approach enabling on-the-fly cross-modal fusion by penalizing high-entropy samples, which achieves large improvements on $\texttt{VGGSOUND-2C}$. We hope $\texttt{AVROBUSTBENCH}$ steers the development of more effective and robust audio-visual TTA approaches. Our code is available [here](https://github.com/sarthaxxxxx/AV-C-Robustness-Benchmark).

Power flow (PF) calculations are the backbone of real-time grid operations, across workflows such as contingency analysis (where repeated PF evaluations assess grid security under outages) and topology optimization (which involves PF-based searches over combinatorially large action spaces). Running these calculations at operational timescales or across large evaluation spaces remains a major computational bottleneck. Additionally, growing uncertainty in power system operations from the integration of renewables and climate-induced extreme weather also calls for tools that can accurately and efficiently simulate a wide range of scenarios and operating conditions. Machine learning methods offer a potential speedup over traditional solvers, but their performance has not been systematically assessed on benchmarks that capture real-world variability. This paper introduces PF∆, a benchmark dataset for power flow that captures diverse variations in load, generation, and topology. PF∆ contains 859,800 solved power flow instances spanning six different bus system sizes, capturing three types of contingency scenarios (N , N –1, and N –2), and including close-to-infeasible cases near steady-state voltage stability limits. We evaluate traditional solvers and GNN-based methods, highlighting key areas where existing approaches struggle, and identifying open problems for future research. Our dataset is available at https://huggingface.co/datasets/pfdelta/pfdelta/tree/main and our code with data generation scripts and model implementations is at https: //github.com/MOSSLab-MIT/pfdelta