NeurIPS 2025 论文列表

Spatial reasoning in 3D space is central to human cognition and indispensable for embodied tasks such as navigation and manipulation. However, state-of-the-art vision–language models (VLMs) struggle frequently with tasks as simple as anticipating how a scene will look after an egocentric motion: they perceive 2D images but lack an internal model of 3D dynamics. We therefore propose SpatialNavigator, a test-time scaling framework that grants a VLM with this missing capability by coupling it to a controllable world model based on video diffusion. The VLM iteratively sketches a concise camera trajectory, while the world model synthesizes the corresponding view at each step. The VLM then reasons over this multi-view evidence gathered during the interactive exploration. Without any fine-tuning, our SpatialNavigator achieves an average 7.7\% performance boost on the representative spatial reasoning benchmark SAT, showing that pairing VLMs with world models for test-time scaling offers a simple, plug-and-play route to robust 3D reasoning. Meanwhile, our method also improves upon the test-time inference VLMs trained through reinforcement learning, which demonstrates the potential of our method that utilizes world models for test-time scaling.

Latent Gaussian variables have been popularised in probabilistic machine learning. In turn, gradient estimators are the machinery that facilitates gradient-based optimisation for models with latent Gaussian variables. The reparameterisation trick is often used as the default estimator as it is simple to implement and yields low-variance gradients for variational inference. In this work, we propose the R2-G2 estimator as the Rao-Blackwellisation of the reparameterisation gradient estimator. Interestingly, we show that the local reparameterisation gradient estimator for Bayesian MLPs is an instance of the R2-G2 estimator and Rao-Blackwellisation. This lets us extend benefits of Rao-Blackwellised gradients to a suite of probabilistic models. We show that initial training with R2-G2 consistently yields better performance in models with multiple applications of the reparameterisation trick.

Video generative models can be regarded as world simulators due to their ability to capture dynamic, continuous changes inherent in real-world environments. These models integrate high-dimensional information across visual, temporal, spatial, and causal dimensions, enabling predictions of subjects in various status. A natural and valuable research direction is to explore whether a fully trained video generative model in high-dimensional space can effectively support lower-dimensional tasks such as controllable image generation. In this work, we propose a paradigm for video-to-image knowledge compression and task adaptation, termed \textit{Dimension-Reduction Attack} (\texttt{DRA-Ctrl}), which utilizes the strengths of video models, including long-range context modeling and flatten full-attention, to perform various generation tasks. Specially, to address the challenging gap between continuous video frames and discrete image generation, we introduce a mixup-based transition strategy that ensures smooth adaptation. Moreover, we redesign the attention structure with a tailored masking mechanism to better align text prompts with image-level control. Experiments across diverse image generation tasks, such as subject-driven and spatially conditioned generation, show that repurposed video models outperform those trained directly on images. These results highlight the untapped potential of large-scale video generators for broader visual applications. \texttt{DRA-Ctrl} provides new insights into reusing resource-intensive video models and lays foundation for future unified generative models across visual modalities. The project page is \url{https://dra-ctrl-2025.github.io/DRA-Ctrl/}.

Large language models (LLMs) have achieved remarkable results across diverse downstream tasks, but their monolithic nature restricts scalability and efficiency in complex problem-solving. While recent research explores multi-agent collaboration among LLMs, most approaches rely on static organizational structures that struggle to adapt as task complexity and agent numbers grow, resulting in coordination overhead and inefficiencies. To this end, we propose a puppeteer-style paradigm for LLM-based multi-agent collaboration, where a centralized orchestrator ("puppeteer") dynamically directs agents ("puppets") in response to evolving task states. This orchestrator is trained via reinforcement learning to adaptively sequence and prioritize agents, enabling flexible and evolvable collective reasoning. Experiments on closed- and open-domain scenarios show that this method achieves superior performance with reduced computational costs. Analyses further reveal that the key improvements consistently stem from the emergence of more compact, cyclic reasoning structures under the orchestrator’s evolution. Our code is available at https://github.com/OpenBMB/ChatDev/tree/puppeteer.

3D visual grounding has made notable progress in localizing objects within complex 3D scenes. However, grounding referring expressions beyond objects in 3D scenes remains unexplored. In this paper, we introduce Anywhere3D-Bench, a holistic 3D visual grounding benchmark consisting of 2,886 referring expression-3D bounding box pairs spanning four different grounding levels: human-activity areas, unoccupied space beyond objects, individual objects in the scene, and fine-grained object parts. We assess a range of state-of-the-art 3D visual grounding methods alongside large language models (LLMs) and multimodal LLMs (MLLMs) on Anywhere3D-Bench. Experimental results reveal that space-level and part-level visual grounding pose the greatest challenges: space-level tasks require a more comprehensive spatial reasoning ability, for example, modeling distances and spatial relations within 3D space, while part-level tasks demand fine-grained perception of object composition. Even the best performance model, OpenAI o4-mini, achieves only 23.00% accuracy on space-level tasks and 31.46% on part-level tasks, significantly lower than its performance on area-level and object-level tasks. These findings underscore a critical gap in current models’ capacity to understand and reason about 3D scenes beyond object-level semantics.

Test-time compute has empowered multimodal large language models to generate extended reasoning chains, yielding strong performance on tasks such as multimodal math reasoning. However, we observe that this improved reasoning ability often comes with increased hallucination: as generations become longer, models tend to drift away from image-grounded content and rely more on language priors. Attention analysis reveals that longer reasoning chains reduce focus on visual inputs, contributing to hallucination. To systematically study this phenomenon, we introduce RH-AUC, a metric that quantifies how a model's perception accuracy changes with reasoning length, enabling evaluation of whether the model preserves visual grounding while reasoning. We also release RH-Bench, a diagnostic benchmark covering diverse multimodal tasks, designed to jointly assess the balance of reasoning ability and hallucination. We find that (i) larger models generally exhibit a better balance between reasoning and perception; (ii) reasoning and perception balance depends more on the types and domains of the training data than its volume. Our findings highlight the need for evaluation frameworks that account for both reasoning quality and perceptual reliability.

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1, Qwen 3, and OLMo 2 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.

Contrastive Language-Image Pre-training (CLIP) generates versatile multimodal embeddings for diverse applications, yet the specific information captured within these representations is not fully understood. Current explainability techniques often target specific tasks, overlooking the rich, general semantics inherent in the representations. Our objective is to reveal the concepts encoded in CLIP embeddings by learning a surrogate representation, which is expressed as a linear combination of human-understandable concepts evident in the image. Our method, which we term EXPLAIN-R, introduces a novel approach that leverages CLIP's learned instance-instance similarity to train a surrogate model that faithfully mimics CLIP's behavior. From the trained surrogate, we derive concept scores for each input image; these scores quantify the contribution of each concept and act as the explanation for the representation. Quantitative evaluations on multiple datasets demonstrate our method's superior faithfulness over the baseline. Moreover, a user study confirms that our explanations are perceived as more relevant, complete, and useful. Our work provides a novel approach for interpreting CLIP image representations, enhancing the user interpretability of representations and fostering more trustworthy AI systems.

We introduce the \textit{Riemannian Proximal Sampler}, a method for sampling from densities defined on Riemannian manifolds. The performance of this sampler critically depends on two key oracles: the \textit{Manifold Brownian Increments (MBI)} oracle and the \textit{Riemannian Heat-kernel (RHK)} oracle. We establish high-accuracy sampling guarantees for the Riemannian Proximal Sampler, showing that generating samples with \(\varepsilon\)-accuracy requires \(\mathcal{O}(\log(1/\varepsilon))\) iterations in Kullback-Leibler divergence assuming access to exact oracles and \(\mathcal{O}(\log^2(1/\varepsilon))\) iterations in the total variation metric assuming access to sufficiently accurate inexact oracles. Furthermore, we present practical implementations of these oracles by leveraging heat-kernel truncation and Varadhan’s asymptotics. In the latter case, we interpret the Riemannian Proximal Sampler as a discretization of the entropy-regularized Riemannian Proximal Point Method on the associated Wasserstein space. We provide preliminary numerical results that illustrate the effectiveness of the proposed methodology.

Real-world data distributions often shift continuously across multiple latent factors such as time, geography, and socioeconomic contexts. However, existing domain generalization approaches typically treat domains as discrete or as evolving along a single axis (e.g., time). This oversimplification fails to capture the complex, multidimensional nature of real-world variation. This paper introduces the task of Continuous Domain Generalization (CDG), which aims to generalize predictive models to unseen domains defined by arbitrary combinations of continuous variations. We present a principled framework grounded in geometric and algebraic theories, showing that optimal model parameters across domains lie on a low-dimensional manifold. To model this structure, we propose a Neural Lie Transport Operator (NeuralLio), which enables structure-preserving parameter transitions by enforcing geometric continuity and algebraic consistency. To handle noisy or incomplete domain variation descriptors, we introduce a gating mechanism to suppress irrelevant dimensions and a local chart-based strategy for robust generalization. Extensive experiments on synthetic and real-world datasets, including remote sensing, scientific documents, and traffic forecasting, demonstrate that our method significantly outperforms existing baselines in both generalization accuracy and robustness.

Binary classification with imbalanced classes is a common and fundamental task, where standard machine learning methods often struggle to provide reliable predictive performance. Although numerous approaches have been proposed to address this issue, classification in low-sample-size and high-dimensional settings still remains particularly challenging. The abundance of noisy features in high-dimensional data limits the effectiveness of classical methods due to overfitting, and the minority class is even difficult to detect because of its severe underrepresentation with low sample size. To address this challenge, we introduce Quantile-based Discriminant Analysis (QuanDA), which builds upon a novel connection with quantile regression and naturally accounts for class imbalance through appropriately chosen quantile levels. We provide comprehensive theoretical analysis to validate QuanDA in ultra-high dimensional settings. Through extensive simulation studies and high-dimensional benchmark data analysis, we demonstrate that QuanDA overall outperforms existing classification methods for imbalanced data, including cost-sensitive large-margin classifiers, random forests, and SMOTE.

We study the problem of stabilizing an unknown partially observable linear time-invariant (LTI) system. For fully observable systems, leveraging an unstable/stable subspace decomposition approach, state-of-art sample complexity is independent from system dimension $n$ and only scales with respect to the dimension of the unstable subspace. However, it remains open whether such sample complexity can be achieved for partially observable systems because such systems do not admit a uniquely identifiable unstable subspace. In this paper, we propose LTS-P, a novel technique that leverages compressed singular value decomposition (SVD) on the ''lifted'' Hankel matrix to estimate the unstable subsystem up to an unknown transformation. Then, we design a stabilizing controller that integrates a robust stabilizing controller for the unstable mode and a small-gain-type assumption on the stable subspace. We show that LTS-P stabilizes unknown partially observable LTI systems with state-of-the-art sample complexity that is dimension-free and only scales with the number of unstable modes, which significantly reduces data requirements for high-dimensional systems with many stable modes.

Careful curation of data sources can significantly improve the performance of LLM pre-training, but predominant approaches rely heavily on intuition or costly trial-and-error, making them difficult to generalize across different data domains and downstream tasks. Although scaling laws can provide a principled and general approach for data curation, standard deterministic extrapolation from small-scale experiments to larger scales requires strong assumptions on the reliability of such extrapolation, whose brittleness has been highlighted in prior works. In this paper, we introduce a probabilistic extrapolation framework for data mixture optimization that avoids rigid assumptions and explicitly models the uncertainty in performance across decision variables. We formulate data curation as a sequential decision-making problem–multi-fidelity, multi-scale Bayesian optimization–where {data mixtures, model scale, training steps} are adaptively selected to balance training cost and potential information gain. Our framework naturally gives rise to algorithm prototypes that leverage noisy information from inexpensive experiments to systematically inform costly training decisions. To accelerate methodological progress, we build a simulator based on 472 language model pre-training runs with varying data compositions from the SlimPajama dataset. We observe that even simple kernels and acquisition functions can enable principled decisions across training models from 20M to 1B parameters and achieve 2.6x and 3.3x speedups compared to multi-fidelity BO and random search baselines. Taken together, our framework underscores potential efficiency gains achievable by developing principled and transferable data mixture optimization methods. Our code is publicly available at https://github.com/namkoong-lab/data-recipes.

Crystal structures are defined by the periodic arrangement of atoms in 3D space, inherently making them equivariant to SO(3) group. A fundamental requirement for crystal property prediction is that the model's output should remain invariant to arbitrary rotational transformations of the input structure. One promising strategy to achieve this invariance is to align the given crystal structure into a canonical orientation with appropriately computed rotations, or called frames. However, existing work either only considers a global frame or solely relies on more advanced local frames based on atoms' local structure. A global frame is too coarse to capture the local structure heterogeneity of the crystal, while local frames may inadvertently disrupt crystal symmetry, limiting their expressivity. In this work, we revisit the frame design problem for crystalline materials and propose a novel approach to construct expressive {\bf S}ymmetry Preserving Frames, dubbed as SPFrame, for modeling crystal structures. Specifically, this local-global associative frame constructs invariant local frames rather than equivariant ones, thereby preserving the symmetry of the crystal. In parallel, it integrates global structural information to construct an equivariant global frame to enforce SO(3) invariance. Extensive experimental results demonstrate that SPFrame consistently outperforms traditional frame construction techniques and existing crystal property prediction baselines across multiple benchmark tasks.

Understanding the geometry of neural network loss landscapes is a central question in deep learning, with implications for generalization and optimization. A striking phenomenon is $\textit{linear mode connectivity}$ (LMC), where independently trained models can be connected by low- or zero-barrier paths, despite appearing to lie in separate loss basins. However, this is often obscured by symmetries in parameter space—such as neuron permutations—which make functionally equivalent models appear dissimilar. Prior work has predominantly focused on neuron reordering through permutations, but such approaches are limited in scope and fail to capture the richer symmetries exhibited by modern architectures such as Transformers. In this work, we introduce a unified framework that captures four symmetry classes—permutations, semi-permutations, orthogonal transformations, and general invertible maps—broadening the set of valid reparameterizations and subsuming many previous approaches as special cases. Crucially, this generalization enables, for the first time, the discovery of low- and zero-barrier linear interpolation paths between independently trained Vision Transformers and GPT-2 models. Furthermore, our framework extends beyond pairwise alignment, to multi-model and width-heterogeneous settings, enabling alignment across architectures of different sizes. These results reveal deeper structure in the loss landscape and underscore the importance of symmetry-aware analysis for understanding model space geometry.

Accurate and scalable quantification of animal pose and appearance is crucial for studying behavior. Current 3D pose estimation techniques, such as keypoint- and mesh-based techniques, often face challenges including limited representational detail, labor-intensive annotation requirements, and expensive per-frame optimization. These limitations hinder the study of subtle movements and can make large-scale analyses impractical. We propose *Pose Splatter*, a novel framework leveraging shape carving and 3D Gaussian splatting to model the complete pose and appearance of laboratory animals without prior knowledge of animal geometry, per-frame optimization, or manual annotations. We also propose a rotation-invariant visual embedding technique for encoding pose and appearance, designed to be a plug-in replacement for 3D keypoint data in downstream behavioral analyses. Experiments on datasets of mice, rats, and zebra finches show *Pose Splatter* learns accurate 3D animal geometries. Notably, *Pose Splatter* represents subtle variations in pose, provides better low-dimensional pose embeddings over state-of-the-art as evaluated by humans, and generalizes to unseen data. By eliminating annotation and per-frame optimization bottlenecks, *Pose Splatter* enables analysis of large-scale, longitudinal behavior needed to map genotype, neural activity, and behavior at high resolutions.

To enhance the safety of VLMs, this paper introduces a novel reasoning-based VLM guard model dubbed GuardReasoner-VL. The core idea is to incentivize the guard model to deliberatively reason before making moderation decisions via online RL. First, we construct GuardReasoner-VLTrain, a reasoning corpus with 123K samples and 631K reasoning steps, spanning text, image, and text-image inputs. Then, based on it, we cold-start our model's reasoning ability via SFT. In addition, we further enhance reasoning regarding moderation through online RL. Concretely, to enhance diversity and difficulty of samples, we conduct rejection sampling followed by data augmentation via the proposed safety-aware data concatenation. Besides, we use a dynamic clipping parameter to encourage exploration in early stages and exploitation in later stages. To balance performance and token efficiency, we design a length-aware safety reward that integrates accuracy, format, and token cost. Extensive experiments demonstrate the superiority of our model. Remarkably, it surpasses the runner-up by 19.27% F1 score on average, as shown in Figure 1. We release data, code, and models (3B/7B) of GuardReasoner-VL: https://github.com/yueliu1999/GuardReasoner-VL.

We perform a thorough analysis of the formal and informal statements in the miniF2F benchmark from the perspective of an AI system that is tasked to participate in a math Olympiad consisting of the problems in miniF2F. In such setting, the model has to read and comprehend the problems in natural language, formalize them in Lean language, then proceed with proving the problems, and it will get credit for each problem if the formal proof corresponds to the original informal statement presented to the model. Our evaluation results reveal that the best accuracy of such pipeline can be about 36% using the SoTA models in the literature, considerably lower than the individual SoTA accuracies, 97% and 69% reported in the autoformalization and theorem proving literature. Analyzing the failure modes, we trace back a considerable portion of this drop to discrepancies between the formal and informal statements for more than half of the problems in miniF2F. We proceed with correcting all the errors, discrepancies and simplifications in formal and informal statements, and present the _miniF2F-v2_ with fully verified formal and informal statements and proofs. Evaluating the full theorem proving pipeline on _miniF2F-v2_ leads to the best accuracy of 70%, a significant improvement from the 40% on the original miniF2F, yet indicating considerable misalignment between the autoformalization models and theorem provers. Our deep analysis suggests that a higher quality benchmark can help the community better evaluate progress in the field of formal reasoning and also better diagnose the failure and success modes of autoformalization and theorem proving models. Our dataset is available at https://github.com/roozbeh-yz/miniF2F_v2.

Despite significant advances in inference-time search for vision–language models (VLMs), existing approaches remain both computationally expensive and prone to unpenalized, low-confidence generations which often lead to persistent hallucinations. We introduce \textbf{Value-guided Inference with Margin-based Reward (ViMaR)}, a two-stage inference framework that improves both efficiency and output fidelity by combining a temporal-difference value model with a margin-aware reward adjustment. In the first stage, we perform a single pass to identify the highest-value caption among diverse candidates. In the second stage, we selectively refine only those segments that were overlooked or exhibit weak visual grounding, thereby eliminating frequently rewarded evaluations. A calibrated margin-based penalty discourages low-confidence continuations while preserving descriptive richness. Extensive experiments across multiple VLM architectures demonstrate that ViMaR generates captions that are significantly more reliable, factually accurate, detailed, and explanatory, while achieving over 4$\times$ speedup compared to existing value-guided methods. Specifically, we show that ViMaR trained solely on LLaVA Mistral-7B \textit{generalizes effectively to guide decoding in stronger unseen models}. To further validate this, we adapt ViMaR to steer generation in both LLaVA-OneVision-Qwen2-7B and Qwen2.5-VL-3B, leading to consistent improvements in caption quality and demonstrating robust cross-model guidance. This cross-model generalization highlights ViMaR's flexibility and modularity, positioning it as a scalable and transferable inference-time decoding strategy. Furthermore, when ViMaR-generated captions are used for self-training, the underlying models achieve substantial gains across a broad suite of visual comprehension benchmarks, underscoring the potential of fast, accurate, and self-improving VLM pipelines. Code: https://github.com/ankan8145/ViMaR