NeurIPS 2025 Papers

Modern Vision-Language Models (VLMs) can solve a wide range of tasks requiring visual reasoning. In real-world scenarios, desirable properties for VLMs include fast inference and controllable generation (e.g., constraining outputs to adhere to a desired format). However, existing autoregressive (AR) VLMs like LLaVA struggle in these aspects. Discrete diffusion models (DMs) offer a promising alternative, enabling parallel decoding for faster inference and bidirectional context for controllable generation through text-infilling. While effective in language-only settings, DMs' potential for multimodal tasks is underexplored. We introduce LaViDa, a family of VLMs built on DMs. We build LaViDa by equipping DMs with a vision encoder and jointly fine-tune the combined parts for multimodal instruction following. To address challenges encountered, LaViDa incorporates novel techniques such as complementary masking for effective training, prefix KV cache for efficient inference, and timestep shifting for high-quality sampling. Experiments show that LaViDa achieves competitive or superior performance to AR VLMs on multi-modal benchmarks such as MMMU, while offering unique advantages of DMs, including flexible speed-quality tradeoff, controllability, and bidirectional reasoning. On COCO captioning, LaViDa surpasses Open-LLaVa-Next-8B by +4.1 CIDEr with 1.92x speedup. On bidirectional tasks, it achieves +59% improvement on Constrained Poem Completion. These results demonstrate LaViDa as a strong alternative to AR VLMs. Code and models is available at https://github.com/jacklishufan/LaViDa

Large language models (LLMs) have demonstrated remarkable proficiency in mainstream academic disciplines such as mathematics, physics, and computer science. However, human knowledge encompasses over 200 specialized disciplines, far exceeding the scope of existing benchmarks. The capabilities of LLMs in many of these specialized fields-particularly in light industry, agriculture, and service-oriented disciplines-remain inadequately evaluated. To address this gap, we present SuperGPQA, a comprehensive benchmark that evaluates graduate-level knowledge and reasoning capabilities across 285 disciplines. Our benchmark employs a novel Human-LLM collaborative filtering mechanism to eliminate trivial or ambiguous questions through iterative refinement based on both LLM responses and expert feedback. Our experimental results reveal significant room for improvement in the performance of current state-of-the-art LLMs across diverse knowledge domains (e.g., the reasoning-focused model Gemini-2.5-Pro achieved the highest accuracy of 63.56% on SuperGPQA), highlighting the considerable gap between current model capabilities and artificial general intelligence. Additionally, we present comprehensive insights from our management of a large-scale annotation process, involving over 80 expert annotators and an interactive Human-LLM collaborative system, offering valuable methodological guidance for future research initiatives of comparable scope.

Dynamic scene reconstruction poses a persistent challenge in 3D vision. Deformable 3D Gaussian Splatting has emerged as an effective method for this task, offering real-time rendering and high visual fidelity. This approach decomposes a dynamic scene into a static representation in a canonical space and time-varying scene motion. Scene motion is defined as the collective movement of all Gaussian points, and for compactness, existing approaches commonly adopt implicit neural fields or sparse control points. However, these methods predominantly rely on gradient-based optimization for all motion information. Due to the high degree of freedom, they struggle to converge on real-world datasets exhibiting complex motion. To preserve the compactness of motion representation and address convergence challenges, this paper proposes heterogeneous 3D control points, termed \textbf{H3D control points}, whose attributes are obtained using a hybrid strategy combining optical flow back-projection and gradient-based methods. This design decouples directly observable motion components from those that are geometrically occluded. Specifically, components of 3D motion that project onto the image plane are directly acquired via optical flow back projection, while unobservable portions are refined through gradient-based optimization. Experiments on the Neu3DV and CMU-Panoptic datasets demonstrate that our method achieves superior performance over state-of-the-art deformable 3D Gaussian splatting techniques. Remarkably, our method converges within just 100 iterations and achieves a per-frame processing speed of 2 seconds on a single NVIDIA RTX 4070 GPU.

In the past decades, brain imaging research underwent a shift from mapping tasked evoked brain regions of activations towards identifying and characterizing the dynamic brain networks of multiple coordinating brain regions. Electrophysiological signals are the direct manifestation of brain activities, thus, characterizing the whole brain electrophysiological networks (WBEN) can serve as a fundamental tool for neuroscience studies and clinical applications. In this work, we introduce the first framework for the integration of scalp EEG and intracranial EEG (iEEG) for the WBEN estimation with a principled estimation framework based on state-space models, where an Expectation-Maximization (EM) algorithm is designed to infer the state variables and brain connectivity simultaneously. We validated the proposed method on synthetic data, and the results revealed improved performance compared to traditional two-step methods using scalp EEG only, demonstrating the importance of including iEEG signal for WBEN estimation. For real data with simultaneous EEG and iEEG, we applied the developed framework to understand the information flows of the encoding and maintenance phases during the working memory task. The information flows between the subcortical and cortical regions are delineated, highlighting more significant information flows from cortical to subcortical regions than maintenance phases. The results are consistent with previous research findings but with the view of the whole brain scope, which underscores the unique utility of the proposed framework.

Vision-Language Models (VLMs) have made significant progress in multimodal tasks. However, their performance often deteriorates in long-context scenarios, particularly long videos. While Rotary Position Embedding (RoPE) has been widely adopted for length generalization in Large Language Models (LLMs), extending vanilla RoPE to capture the intricate spatial-temporal dependencies in videos remains an unsolved challenge. Existing methods typically allocate different frequencies within RoPE to encode 3D positional information. However, these allocation strategies mainly rely on heuristics, lacking in-depth theoretical analysis. In this paper, we first study how different allocation strategies impact the long-context capabilities of VLMs. Our analysis reveals that current multimodal RoPEs fail to reliably capture semantic similarities over extended contexts. To address this issue, we propose HoPE, a Hybrid of Position Embedding designed to improve the long-context capabilities of VLMs. HoPE introduces a hybrid frequency allocation strategy for reliable semantic modeling over arbitrarily long contexts, and a dynamic temporal scaling mechanism to facilitate robust learning and flexible inference across diverse context lengths. Extensive experiments across four video benchmarks on long video understanding and retrieval tasks demonstrate that HoPE consistently outperforms existing methods, confirming its effectiveness.

Attention mechanisms have achieved significant empirical success in multiple fields, but their underlying optimization objectives remain unclear yet. Moreover, the quadratic complexity of self-attention has become increasingly prohibitive. Although interpretability and efficiency are two mutually reinforcing pursuits, prior work typically investigates them separately. In this paper, we propose a unified optimization objective that derives inherently interpretable and efficient attention mechanisms through algorithm unrolling. Precisely, we construct a gradient step of the proposed objective with a set of forward-pass operations of our \emph{Contract-and-Broadcast Self-Attention} (CBSA), which compresses input tokens towards low-dimensional structures by contracting a few representatives of them. This novel mechanism can not only scale linearly by fixing the number of representatives, but also covers the instantiations of varied attention mechanisms when using different sets of representatives. We conduct extensive experiments to demonstrate comparable performance and superior advantages over black-box attention mechanisms on visual tasks. Our work sheds light on the integration of interpretability and efficiency, as well as the unified formula of attention mechanisms. Code is available at \href{https://github.com/QishuaiWen/CBSA}{this https URL}.

Solving stochastic optimal control problems with quadratic control costs can be viewed as approximating a target path space measure, e.g. via gradient-based optimization. In practice, however, this optimization is challenging in particular if the target measure differs substantially from the prior. In this work, we therefore approach the problem by iteratively solving constrained problems incorporating trust regions that aim for approaching the target measure gradually in a systematic way. It turns out that this trust region based strategy can be understood as a geometric annealing from the prior to the target measure, where, however, the incorporated trust regions lead to a principled and educated way of choosing the time steps in the annealing path. We demonstrate in multiple optimal control applications that our novel method can improve performance significantly, including tasks in diffusion-based sampling and fine-tuning of diffusion models.

The *law of supply and demand* asserts that in a perfectly competitive market, the price of a good adjusts to a *market clearing price*. In a market clearing price $p^\star$ the number of sellers willing to sell the good at $p^\star$ equals the number of sellers willing to buy the good at price $p^\star$. In this work, we provide a mathematical foundation on the law of supply and demand through the lens of online learning. Specifically, we demonstrate that if each seller employs a no-swap regret algorithm to set their individual selling price—aiming to maximize its individual revenue—the collective pricing dynamics converge to the market-clearing price $p^\star$ . Our findings offer a novel perspective on the law of supply and demand, framing it as the emergent outcome of an adaptive learning processes among sellers.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require differentiable proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation.

Parameter-efficient fine-tuning (PEFT) powerful pre-trained models for complex downstream tasks has proven effective in vision and language processing, yet this paradigm remains unexplored in scientific machine learning, where the objective is to model complex physical systems. We conduct the first systematic study of PEFT for pre-trained Large Operator Models (LOMs) obtained by scaling variants of Fourier Neural Operator. We observe that the widely used Low-Rank Adaptation (LoRA) yields markedly poorer performance on LOMs than Adapter tuning. We further theoretically establish that stacked LoRA incurs a depth-amplified lower bound on approximation error within Fourier layers, whereas adapters retain universal approximation capacity and, by concentrating parameters on energy-dominant low-frequency modes, attain exponentially decaying error with bottleneck width in the Fourier domain. Motivated by the robust empirical gains of adapters and by our theoretical characterization of PDE solutions as spectrally sparse, we introduce Frequency-Adaptive Adapter (F-Adapter). F-Adapter allocates adapter capacity based on spectral complexity, assigning higher-dimension modules to low-frequency components and lower-dimension modules to high-frequency components. Our F-Adapters establish state-of-the-art results on multiple challenging 3D Navier–Stokes benchmarks, markedly enhancing both generalization and spectral fidelity over LoRA and other PEFT techniques commonly used in LLMs. To the best of our knowledge, this work is the first to explore PEFT for scientific machine-learning and establishes F-Adapter as an effective paradigm for this domain. The code will be made publicly available upon acceptance.

Large-scale pre-trained models hold significant potential for learning universal EEG representations. However, most existing methods, particularly autoregressive (AR) frameworks, primarily rely on straightforward temporal sequencing of multi-channel EEG data, which fails to capture the rich physiological characteristics inherent to EEG signals. Moreover, their time-centered modeling approach also limits the effective representation of the dynamic spatial topology of brain activity. To address these challenges and fully exploit the potential of large-scale EEG models, we propose a novel Topology Hierarchical Derived Brain Autoregressive Modeling (THD-BAR) for EEG generic representations. The core innovation of THD-BAR lies in the introduction of the Brain Topology Hierarchy (BTH), which establishes a multi-scale spatial order for EEG channels. This hierarchical structure enables a redefinition of autoregressive learning as a "next-scale-time prediction" problem, effectively capturing both spatial and temporal dynamics. Based on BTH, we design a Topology-Hierarchical Vector Quantized-Variational Autoencoder (THVQ-VAE) for multi-scale tokenization and develop an enhanced Brain Autoregressive (BAR) module with specialized masking strategies for prediction. Through extensive large-scale pre-training on 17 datasets, followed by rigorous validation on 10 downstream datasets spanning 5 distinct tasks, THD-BAR consistently outperforms existing methods. These results highlight the superior generalization and modeling capabilities of our proposed approach.

Visual anomaly detection is significant in safety-critical and reliability-sensitive scenarios. Prior studies mainly emphasize the design and training of scoring functions, while little effort has been devoted to constructing decision rules based on these score functions. A recent work Ma et al. (2025b) highlights this issue and proposes the SAC-BL algorithm to address it. This method consists of a strong anomaly constraint (SAC) network and a betting-like (BL) algorithm serving as the decision rule. The SAC-BL algorithm can control the false discovery rate (FDR). However the performance of SAC-BL algorithm on anomalous examples, or its false positive rate (FPR), has not been thoroughly investigated. This paper provides a deeper analysis of this problem and explores how to theoretically reduce its FPR. First, we show that as the number of testing examples tends to infinity, the SAC-BL algorithm performs well on abnormal data if the scores follow the generalized Gaussian-like distribution family. But such conditions about the number of testing examples and the distribution of scores are overly restrictive for the real-world applications. So, we attempt to decrease the FPR of the SAC-BL algorithm under the condition of finite samples for practical anomaly detection. To this end, we redesign the BL algorithm by incorporating a randomization strategy and propose a novel stochastic BL (SBL) algorithm. The combination of the SAC network and the SBL algorithm yields our method, SAC-SBL. Theoretical results show that the SAC-SBL algorithm can achieve smaller FPR than SAC-BL algorithm while controlling its FDR. Finally, extensive experimental results demonstrate the superiority of our method over SAC-BL algorithm on multiple visual anomaly detection benchmarks.

While methods exist for aligning flow matching models -- a popular and effective class of generative models -- with human preferences, existing approaches fail to achieve both adaptation efficiency and probabilistically sound prior preservation. In this work, we leverage the theory of optimal control and propose VGG-Flow, a gradient matching–based method for finetuning pretrained flow matching models. The key idea in this algorithm is that the optimal difference between the finetuned velocity field and the pretrained one should be matched with the gradient field of a value function. This method not only incorporates first-order information from the reward model but also benefits from heuristic initialization of the value function to enable fast adaptation. Empirically, we show on a popular text-to-image flow matching model, Stable Diffusion 3, that our method can finetune flow matching models under limited computational budgets while achieving effective and prior-preserving alignment.

We present a novel approach to formalise and solve search-based problems using large language models, which significantly improves upon previous state-of-the-art results. We demonstrate the efficacy of this approach on benchmarks like the logic puzzles tasks in ZebraLogicBench. Instead of letting the LLM attempt to directly solve the puzzles, our method prompts the model to formalise the problem in a logic-focused, human-readable domain-specific language (DSL) called Logic.py. This formalised representation is then solved using a constraint solver, leveraging the strengths of both the language model and the solver. Our approach achieves a remarkable 65% absolute improvement over the baseline performance of Llama 3.1 70B on ZebraLogicBench, setting a new state-of-the-art with an accuracy of over 90%. This significant advancement demonstrates the potential of combining language models with domain-specific languages and auxiliary tools on traditionally challenging tasks for LLMs.

With the rapid progress of large language models (LLMs) and diffusion models, there has been growing interest in personalized content generation. However, current conversational systems often present the same recommended content to all users, falling into the dilemma of "one-size-fits-all." To break this limitation and boost user engagement, in this paper, we introduce PCG (**P**ersonalized Visual **C**ontent **G**eneration), a unified framework for personalizing item images within conversational systems. We tackle two key bottlenecks: the depth of personalization and the fidelity of generated images. Specifically, an LLM-powered Inclinations Analyzer is adopted to capture user likes and dislikes from context to construct personalized prompts. Moreover, we design a dual-stage LoRA mechanism—Global LoRA for understanding task-specific visual style, and Local LoRA for capturing preferred visual elements from conversation history. During training, we introduce the visual content condition method to ensure LoRA learns both historical visual context and maintains fidelity to the original item images. Extensive experiments on benchmark conversational datasets—including objective metrics and GPT-based evaluations—demonstrate that our framework outperforms strong baselines, which highlight its potential to redefine personalization in visual content generation for conversational scenarios like e-commerce and real-world recommendation.

Binary classification in the classic PAC model exhibits a curious phenomenon: Empirical Risk Minimization (ERM) learners are suboptimal in the realizable case yet optimal in the agnostic case. Roughly speaking, this owes itself to the fact that non-realizable distributions $\\mathcal{D}$ are more difficult to learn than realizable distributions -- even when one discounts a learner's error by $\\mathrm{err}(h^\\ast_\\mathcal{D})$, i.e., the error of the best hypothesis in $\\mathcal{H}$. Thus, optimal agnostic learners are permitted to incur excess error on (easier-to-learn) distributions $\\mathcal{D}$ for which $\\tau = \\mathrm{err}(h^\\ast_\\mathcal{D})$ is small. Recent work of Hanneke, Larsen, and Zhivotovskiy (FOCS '24) addresses this shortcoming by including $\\tau$ itself as a parameter in the agnostic error term. In this more fine-grained model, they demonstrate tightness of the error lower bound $\\tau + \\Omega \\left(\\sqrt{\\frac{\\tau (d + \\log(1 / \\delta))}{m}} + \\frac{d + \\log(1 / \\delta)}{m} \\right)$ in a regime where $\\tau > d/m$, and leave open the question of whether there may be a higher lower bound when $\\tau \\approx d/m$, with $d$ denoting $\\mathrm{VC}(\\mathcal{H})$. In this work, we resolve this question by exhibiting a learner which achieves error $c \\cdot \\tau + O \\left(\\sqrt{\\frac{\\tau (d + \\log(1 / \\delta))}{m}} + \\frac{d + \\log(1 / \\delta)}{m} \\right)$ for a constant $c \\leq 2.1$, matching the lower bound and demonstrating optimality when $\\tau =O( d/m)$. Further, our learner is computationally efficient and is based upon careful aggregations of ERM classifiers, making progress on two other questions of Hanneke, Larsen, and Zhivotovskiy (FOCS '24). We leave open the interesting question of whether our approach can be refined to lower the constant from 2.1 to 1, which would completely settle the complexity of agnostic learning.

Dual-camera smartphones suffer from geometric and photometric inconsistencies during zoom transitions, primarily due to disparities in intrinsic/extrinsic parameters and divergent image processing pipelines between the two cameras. Existing interpolation methods struggle to effectively address this issue, constrained by the lack of ground-truth datasets and motion ambiguity in dynamic scenarios. To overcome these challenges, we propose OmniZoom, a universal plug-and-play paradigm for cross-device smooth zoom interpolation. Specifically, we present a novel cross-device virtual data generation method utilizing 3D Gaussian Splatting. This method tackles data scarcity by decoupling geometric features via spatial transition modeling and correcting photometric variations with dynamic color adaptation. It is further enhanced by cross-domain consistency learning for device-agnostic semantic alignment. Additionally, we introduce a plug-and-play 3D-TPR (3D Trajectory Progress Ratio Mapping) framework that surmounts 2D spatial limitations. As components of our framework, a texture-focus strategy is introduced for high-frequency detail preservation, incorporating mask penalty constraints to suppress interpolation artifacts. Our pipeline exhibits broad compatibility with diverse interpolation methods and achieves good performance across multiple public benchmarks. Real-world evaluations on various smartphone platforms also reveal significant quality improvements after fine-tuning on our synthetic data, which underscores the robustness and practical effectiveness of our approach for cross-device zoom applications.

Articulated objects, as prevalent entities in human life, their 3D representations play crucial roles across various applications. However, achieving both high-fidelity textured surface reconstruction and dynamic generation for articulated objects remains challenging for existing methods. In this paper, we present REArtGS, a novel framework that introduces additional geometric and motion constraints to 3D Gaussian primitives, enabling realistic surface reconstruction and generation for articulated objects. Specifically, given multi-view RGB images of arbitrary two states of articulated objects, we first introduce an unbiased Signed Distance Field (SDF) guidance to regularize Gaussian opacity fields, enhancing geometry constraints and improving surface reconstruction quality. Then we establish deformable fields for 3D Gaussians constrained by the kinematic structures of articulated objects, achieving unsupervised generation of surface meshes in unseen states. Extensive experiments on both synthetic and real datasets demonstrate our approach achieves high-quality textured surface reconstruction for given states, and enables high-fidelity surface generation for unseen states. Project site: https://sites.google.com/view/reartgs/home.

Achieving generalization in neural approaches across different scales and distributions remains a significant challenge for routing problems. A key obstacle is that neural networks often fail to learn robust principles for identifying universal patterns and deriving optimal solutions from diverse instances. In this paper, we first uncover Purity Law, a fundamental structural principle for optimal solutions of routing problems, defining that edge prevalence grows exponentially with the sparsity of surrounding vertices. Statistically and theoretically validated across diverse instances, Purity Law reveals a consistent bias toward local sparsity in global optima. Building on this insight, we propose Purity Policy Optimization (PUPO), a novel training paradigm that explicitly aligns characteristics of neural solutions with Purity Law during the solution construction process to enhance generalization. Extensive experiments demonstrate that PUPO can be seamlessly integrated with popular neural solvers, significantly enhancing their generalization performance without incurring additional computational overhead during inference.