NeurIPS 2025 论文列表

Frontier large language models (LLMs) have shown great success in text modeling and generation tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely owing to their reliance on Euclidean operations such as dot-products and norms. Furthermore, recent studies have shown that not respecting the underlying geometry of token embeddings leads to training instabilities and degradation of generative capabilities. These findings suggest that shifting to non-Euclidean geometries can better align language models with the underlying geometry of text. We thus propose to operate fully in $\textit{Hyperbolic space}$, known for its expansive, scale-free, and low-distortion properties. To this end, we introduce $\textbf{HELM}$, a family of $\textbf{H}$yp$\textbf{E}$rbolic Large $\textbf{L}$anguage $\textbf{M}$odels, offering a geometric rethinking of the Transformer-based LLM that addresses the representational inflexibility, missing set of necessary operations, and poor scalability of existing hyperbolic LMs. We additionally introduce a $\textbf{Mi}$xture-of-$\textbf{C}$urvature $\textbf{E}$xperts model, $\textbf{HELM-MiCE}$, where each expert operates in a distinct curvature space to encode more fine-grained geometric structure from text, as well as a dense model, $\textbf{HELM-D}$. For $\textbf{HELM-MiCE}$, we further develop hyperbolic Multi-Head Latent Attention ($\textbf{HMLA}$) for efficient, reduced-KV-cache training and inference. For both models, we further develop essential hyperbolic equivalents of rotary positional encodings and root mean square normalization. We are the first to train fully hyperbolic LLMs at billion-parameter scale, and evaluate them on well-known benchmarks such as MMLU and ARC, spanning STEM problem-solving, general knowledge, and commonsense reasoning. Our results show consistent gains from our $\textbf{HELM}$ architectures – up to 4\% – over popular Euclidean architectures used in LLaMA and DeepSeek with superior semantic hierarchy modeling capabilities, highlighting the efficacy and enhanced reasoning afforded by hyperbolic geometry in large-scale language model pretraining.

Recent advancements in Multimodal Large Language Models (MLLMs) have significantly enhanced performance on 2D visual tasks. However, improving their spatial intelligence remains a challenge. Existing 3D MLLMs always rely on additional 3D or 2.5D data to incorporate spatial awareness, restricting their utility in scenarios with only 2D inputs, such as images or videos. In this paper, we present Spatial-MLLM, a novel framework for visual-based spatial reasoning from purely 2D observations. Unlike conventional video MLLMs which rely on CLIP-based visual encoders optimized for semantic understanding, our key insight is to unleash the strong structure prior from the feed-forward visual geometry foundation model. Specifically, we propose a dual-encoder architecture: a pretrained 2D visual encoder to extract semantic features, and a 3D spatial encoder—initialized from the backbone of the visual geometry model—to extract 3D structure features. A connector then integrates both features into unified visual tokens for enhanced spatial understanding. Furthermore, we propose a space-aware frame sampling strategy at inference time, which selects the spatially informative frames of a video sequence, ensuring that even under limited token length, the model focuses on frames critical for spatial reasoning. Beyond architecture improvements, we construct a training dataset from multiple sources and train the model on it using supervised fine-tuning and GRPO. Extensive experiments on various real-world datasets demonstrate that Spatial-MLLM achieves state-of-the-art performance in a wide range of visual-based spatial understanding and reasoning tasks.

Current 3D gaze estimation methods struggle to generalize across diverse data domains, primarily due to $\textbf{i)}$ $\textit{the scarcity of annotated datasets}$, and $\textbf{ii)}$ $\textit{the insufficient diversity of labeled data}$. In this work, we present OmniGaze, a semi-supervised framework for 3D gaze estimation, which utilizes large-scale unlabeled data collected from diverse and unconstrained real-world environments to mitigate domain bias and generalize gaze estimation in the wild. First, we build a diverse collection of unlabeled facial images, varying in facial appearances, background environments, illumination conditions, head poses, and eye occlusions. In order to leverage unlabeled data spanning a broader distribution, OmniGaze adopts a standard pseudo-labeling strategy and devises a reward model to assess the reliability of pseudo labels. Beyond pseudo labels as 3D direction vectors, the reward model also incorporates visual embeddings extracted by an off-the-shelf visual encoder and semantic cues from gaze perspective generated by prompting a Multimodal Large Language Model to compute confidence scores. Then, these scores are utilized to select high-quality pseudo labels and weight them for loss computation. Extensive experiments demonstrate that OmniGaze achieves state-of-the-art performance on five datasets under both in-domain and cross-domain settings. Furthermore, we also evaluate the efficacy of OmniGaze as a scalable data engine for gaze estimation, which exhibits robust zero-shot generalization on four unseen datasets.

Reduced-order modeling (ROM) of time-dependent and parameterized differential equations aims to accelerate the simulation of complex high-dimensional systems by learning a compact latent manifold representation that captures the characteristics of the solution fields and their time-dependent dynamics. Although high-fidelity numerical solvers generate the training datasets, they have thus far been excluded from the training process, causing the learned latent dynamics to drift away from the discretized governing physics. This mismatch often limits generalization and forecasting capabilities. In this work, we propose **Ph**ysics-**i**nformed **ROM** ($\Phi$-ROM) by incorporating differentiable PDE solvers into the training procedure. Specifically, the latent space dynamics and its dependence on PDE parameters are shaped directly by the governing physics encoded in the solver, ensuring a strong correspondence between the full and reduced systems. Our model outperforms state-of-the-art data-driven ROMs and other physics-informed strategies by accurately generalizing to new dynamics arising from unseen parameters, enabling long-term forecasting beyond the training horizon, maintaining continuity in both time and space, and reducing the data cost. Furthermore, $\Phi$-ROM learns to recover and forecast the solution fields even when trained or evaluated with sparse and irregular observations of the fields, providing a flexible framework for field reconstruction and data assimilation. We demonstrate the framework’s robustness across various PDE solvers and highlight its broad applicability by providing an open-source JAX implementation that is readily extensible to other PDE systems and differentiable solvers, available at https://phi-rom.github.io.

Large Language Model (LLM) agents are capable of task execution across various domains by autonomously interacting with environments and refining LLM responses based on feedback. However, existing model serving systems are not optimized for the unique demands of serving agents. Compared to classic model serving, agent serving has different characteristics: predictable request pattern, increasing quality requirement, and unique prompt formatting. We identify a key problem for agent serving: LLM serving systems lack session-awareness. They neither perform effective KV cache management nor precisely select the cheapest yet competent model in each round. This leads to a cost-quality tradeoff, and we identify an opportunity to surpass it in an agent serving system. To this end, we introduce AgServe for AGile AGent SERVing. AgServe features a session-aware server that boosts KV cache reuse via Estimated-Time-of-Arrival-based eviction and in-place positional embedding calibration, a quality-aware client that performs session-aware model cascading through real-time quality assessment, and a dynamic resource scheduler that maximizes GPU utilization. With AgServe, we allow agents to select and upgrade models during the session lifetime, and to achieve similar quality at much lower costs, effectively transcending the tradeoff. Extensive experiments on real testbeds demonstrate that AgServe (1) achieves comparable response quality to GPT-4o at a 16.5\% cost. (2) delivers 1.8$\times$ improvement in quality relative to the tradeoff curve.

Scaling the effective context length is essential for advancing large language models (LLMs) toward artificial general intelligence (AGI). However, the quadratic increase in computational complexity inherent in traditional attention mechanisms presents a prohibitive overhead. Existing approaches either impose strongly biased structures, such as sink or window attention which are task-specific, or radically modify the attention mechanism into linear approximations, whose performance in complex reasoning tasks remains inadequately explored. In this work, we propose a solution that adheres to the ``less structure'' principle, allowing the model to determine where to attend autonomously, rather than introducing predefined biases. We introduce Mixture of Block Attention (MoBA), an innovative approach that applies the principles of Mixture of Experts (MoE) to the attention mechanism. This novel architecture demonstrates superior performance on long-context tasks while offering a key advantage: the ability to seamlessly transition between full and sparse attention, enhancing efficiency without the risk of compromising performance. MoBA has already been deployed to handle actual production workloads with long-context requirements, demonstrating significant advancements in efficient attention computation for LLMs. Our code is available at https://github.com/MoonshotAI/MoBA.

This paper introduces a novel kernel-based formulation of the Equalized Odds (EO) criterion, denoted as $\operatorname{EO}_k$, for fair representation learning (FRL) in supervised settings. The central goal of FRL is to mitigate discrimination regarding a sensitive attribute $S$ while preserving prediction accuracy for the target variable $Y$. Our proposed criterion enables a rigorous and interpretable quantification of three core fairness objectives: independence ($\widehat{Y} \perp S$), separation—also known as equalized odds ($\widehat{Y} \perp S \mid Y$), and calibration ($Y \perp S \mid \widehat{Y}$). Under both unbiased ($Y \perp S$) and biased ($Y \not \perp S$) conditions, we show that $\operatorname{EO}_k$ satisfies both independence and separation in the former, and uniquely preserves predictive accuracy while lower bounding independence and calibration in the latter, thereby offering a unified analytical characterization of the tradeoffs among these fairness criteria. We further define the empirical counterpart, $\widehat{\operatorname{EO}}_k$, a kernel-based statistic that can be computed in quadratic time, with linear-time approximations also available. A concentration inequality for $\widehat{\operatorname{EO}}_k$ is derived, providing performance guarantees and error bounds, which serve as practical certificates of fairness compliance. While our focus is on theoretical development, the results lay essential groundwork for principled and provably fair algorithmic design in future empirical studies.

A robot's instantaneous sensory observations do not always reveal task-relevant state information. Under such partial observability, optimal behavior typically involves explicitly acting to gain the missing information. Today's standard robot learning techniques struggle to produce such active perception behaviors. We propose a simple real-world robot learning recipe to efficiently train active perception policies. Our approach, asymmetric advantage weighted regression (AAWR), exploits access to "privileged" extra sensors at training time. The privileged sensors enable training high-quality privileged value functions that aid in estimating the advantage of the target policy. Bootstrapping from a small number of potentially suboptimal demonstrations and an easy-to-obtain coarse policy initialization, AAWR quickly acquires active perception behaviors and boosts task performance. In evaluations on 8 manipulation tasks on 3 robots spanning varying degrees of partial observability, AAWR synthesizes reliable active perception behaviors that outperform all prior approaches. When initialized with a "generalist" robot policy that struggles with active perception tasks, AAWR efficiently generates information-gathering behaviors that allow it to operate under severe partial observability for manipulation tasks. Website: https://penn-pal-lab.github.io/aawr/

Effective robotic autonomy in unknown environments demands proactive exploration and precise understanding of both geometry and semantics. In this paper, we propose ActiveSGM, an active semantic mapping framework designed to predict the informativeness of potential observations before execution. Built upon a 3D Gaussian Splatting (3DGS) mapping backbone, our approach employs semantic and geometric uncertainty quantification, coupled with a sparse semantic representation, to guide exploration. By enabling robots to strategically select the most beneficial viewpoints, ActiveSGM efficiently enhances mapping completeness, accuracy, and robustness to noisy semantic data, ultimately supporting more adaptive scene exploration. Our experiments on the Replica and Matterport3D datasets highlight the effectiveness of ActiveSGM in active semantic mapping tasks.

Massive-scale pretraining has made vision-language models increasingly popular for image-to-image and text-to-image retrieval across a broad collection of domains. However, these models do not perform well when used for challenging retrieval tasks, such as instance retrieval in very large-scale image collections. Recent work has shown that linear transformations of VLM features trained for instance retrieval can improve performance by emphasizing subspaces that relate to the domain of interest. In this paper, we explore a more extreme version of this specialization by learning to map a given query to a query-specific feature space transformation. Because this transformation is linear, it can be applied with minimal computational cost to millions of image embeddings, making it effective for large-scale retrieval or re-ranking. Results show that this method consistently outperforms state-of-the-art alternatives, including those that require many orders of magnitude more computation at query time.

Visual geo-localization for drones faces critical degradation under weather perturbations, \eg, rain and fog, where existing methods struggle with two inherent limitations: 1) Heavy reliance on limited weather categories that constrain generalization, and 2) Suboptimal disentanglement of entangled scene-weather features through pseudo weather categories. We present WeatherPrompt, a multi-modality learning paradigm that establishes weather-invariant representations through fusing the image embedding with the text context. Our framework introduces two key contributions: First, a Training-free Weather Reasoning mechanism that employs off-the-shelf large multi-modality models to synthesize multi-weather textual descriptions through human-like reasoning. It improves the scalability to unseen or complex weather, and could reflect different weather strength. Second, to better disentangle the scene and weather features, we propose a multi-modality framework with the dynamic gating mechanism driven by the text embedding to adaptively reweight and fuse visual features across modalities. The framework is further optimized by the cross-modal objectives, including image-text contrastive learning and image-text matching, which maps the same scene with different weather conditions closer in the representation space. Extensive experiments validate that, under diverse weather conditions, our method achieves competitive recall rates compared to state-of-the-art drone geo-localization methods. Notably, it improves Recall@1 by 13.37\% under night conditions and by 18.69\% under fog and snow conditions. Our code is available at https://github.com/Jahawn-Wen/WeatherPrompt.

Guidance techniques are commonly used in diffusion and flow models to improve image quality and input consistency for conditional generative tasks such as class-conditional and text-to-image generation. In particular, classifier-free guidance (CFG) is the most widely adopted guidance technique. It results, however, in trade-offs across quality, diversity and consistency: improving some at the expense of others. While recent work has shown that it is possible to disentangle these factors to some extent, such methods come with an overhead of requiring an additional (weaker) model, or require more forward passes per sampling step. In this paper, we propose Entropy Rectifying Guidance (ERG), a simple and effective guidance method based on inference-time changes in the attention mechanism of state-of-the-art diffusion transformer architectures, which allows for simultaneous improvements over image quality, diversity and prompt consistency. ERG is more general than CFG and similar guidance techniques, as it extends to unconditional sampling. We show that ERG results in significant improvements in various generation tasks such as text-to-image, class-conditional and unconditional image generation. We also show that ERG can be seamlessly combined with other recent guidance methods such as CADS and APG, further improving generations.

Tensor decomposition is a fundamental tool for analyzing multi-dimensional data by learning low-rank factors to represent high-order interactions. While recent works on temporal tensor decomposition have made significant progress by incorporating continuous timestamps in latent factors, they still struggle with general tensor data with continuous indexes not only in the temporal mode but also in other modes, such as spatial coordinates in climate data. Moreover, the challenge of self-adapting model complexity is largely unexplored in functional temporal tensor models, with existing methods being inapplicable in this setting. To address these limitations, we propose functional Complexity-Adaptive Temporal Tensor dEcomposition (Catte). Our approach encodes continuous spatial indexes as learnable Fourier features and employs neural ODEs in latent space to learn the temporal trajectories of factors. To enable automatic adaptation of model complexity, we introduce a sparsity-inducing prior over the factor trajectories. We develop an efficient variational inference scheme with an analytical evidence lower bound, enabling sampling-free optimization. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that Catte not only reveals the underlying ranks of functional temporal tensors but also significantly outperforms existing methods in prediction performance and robustness against noise.

Recently, Large Language Models (LLMs) have been increasingly used to support various decision-making tasks, assisting humans in making informed decisions. However, when LLMs confidently provide incorrect information, it can lead humans to make suboptimal decisions. To prevent LLMs from generating incorrect information on topics they are unsure of and to improve the accuracy of generated content, prior works have proposed Retrieval Augmented Generation (RAG), where external documents are referenced to generate responses. However, previous RAG methods focus only on retrieving documents most relevant to the input query, without specifically aiming to ensure that the human user's decisions are well-calibrated. To address this limitation, we propose a novel retrieval method called Calibrated Retrieval-Augmented Generation (CalibRAG), which ensures that decisions informed by RAG are well-calibrated. Then we empirically validate that CalibRAG improves calibration performance as well as accuracy, compared to other baselines across various datasets.

How do vision transformers (ViTs) represent and process the world? This paper addresses this long-standing question through the first systematic analysis of 6.6K features across all layers, extracted via sparse autoencoders, and by introducing the residual replacement model, which replaces ViT computations with interpretable features in the residual stream. Our analysis reveals not only a feature evolution from low-level patterns to high-level semantics, but also how ViTs encode curves and spatial positions through specialized feature types. The residual replacement model scalably produces a faithful yet parsimonious circuit for human-scale interpretability by significantly simplifying the original computations. As a result, this framework enables intuitive understanding of ViT mechanisms. Finally, we demonstrate the utility of our framework in debiasing spurious correlations.

Video Temporal Grounding (TG) aims to temporally locate video segments matching a natural language description (a query) in a long video. While Vision-Language Models (VLMs) are effective at holistic semantic matching, they often struggle with fine-grained temporal localisation. Recently, Group Relative Policy Optimisation (GRPO) reformulates the inference process as a reinforcement learning task, enabling fine-grained grounding and achieving strong in-domain performance. However, GRPO relies on labelled data, making it unsuitable in unlabelled domains. Moreover, because videos are large and expensive to store and process, performing full-scale adaptation introduces prohibitive latency and computational overhead, making it impractical for real-time deployment. To overcome both problems, we introduce a Data-Efficient Unlabelled Cross-domain Temporal Grounding method, from which a model is first trained on a labelled source domain, then adapted to a target domain using only a small number of {\em unlabelled videos from the target domain}. This approach eliminates the need for target annotation and keeps both computational and storage overhead low enough to run in real time. Specifically, we introduce \textbf{U}ncertainty-quantified \textbf{R}ollout \textbf{P}olicy \textbf{A}daptation (\textbf{URPA}) for cross-domain knowledge transfer in learning video temporal grounding without target labels. URPA generates multiple candidate predictions using GRPO rollouts, averages them to form a pseudo label, and estimates confidence from the variance across these rollouts. This confidence then weights the training rewards, guiding the model to focus on reliable supervision. Experiments on three datasets across six cross-domain settings show that URPA generalises well using only a few unlabelled target videos. Codes are given in supplemental materials.

We take two key steps in automating the open-ended discovery of new mathematical theories, a grand challenge in artificial intelligence. First, we introduce Fermat, a reinforcement learning (RL) environment that models concept discovery and theorem-proving using a set of symbolic actions, opening up a range of RL problems relevant to theory discovery. Second, we explore a specific problem through Fermat: automatically scoring the interestingness of mathematical objects. We investigate evolutionary algorithms for synthesizing nontrivial interestingness measures. In particular, we introduce an LLM-based evolutionary algorithm that features function abstraction, leading to notable improvements in discovering elementary number theory and finite fields over hard-coded baselines. We open-source the \fermat environment at github.com/trishullab/Fermat.

Large Language Models (LLMs) face significant limitations when applied to large-scale graphs, struggling with context constraints and inflexible reasoning. We introduce GraphChain, a novel framework enabling LLMs to analyze large graphs by orchestrating dynamic sequences of specialized tools, mimicking human exploratory processes. GraphChain incorporates two core technical contributions: (1) Progressive Graph Distillation, a reinforcement learning approach that learns to generate tool sequences balancing task relevance and intermediate state compression, thereby overcoming LLM context limitations. (2) Structure-aware Test-Time Adaptation (STTA), a mechanism using a lightweight, self-supervised adapter conditioned on graph spectral properties to efficiently adapt a frozen LLM policy to diverse graph structures via soft prompts without retraining. Experiments show GraphChain significantly outperforms prior methods, enabling scalable and adaptive LLM-driven graph analysis.

In the private set union problem each user owns a bag of at most $k$ items (from some large universe of items), and we are interested in computing the union of the items in the bags of all of the users. This is trivial without privacy, but a differentially private algorithm must be careful about reporting items contained in only a small number of bags. We consider differentially private algorithms that always report a subset of the union, and define the utility of an algorithm to be the expected size of the subset that it reports. Because the achievable utility varies significantly with the dataset, we introduce the *utility ratio*, which normalizes utility by a dataset-specific upper bound and characterizes a mechanism by its lowest normalized utility across all datasets. We then develop algorithms with guaranteed utility ratios and complement them with bounds on the best possible utility ratio. Prior work has shown that a single algorithm can be simultaneously optimal for all datasets when $k=1$, but we show that instance-optimal algorithms do not exist when $k>1$, and characterize how performance degrades as $k$ grows. At the same time, we design a private algorithm that achieves the maximum possible utility, regardless of $k$, when the item histogram matches a prior prediction (for instance, from a previous data release) and degrades gracefully with the $L_\infty$ distance between the prediction and the actual histogram when the prediction is imperfect.