NeurIPS 2025 论文列表

We address the problem of causal effect estimation in the presence of hidden confounders, using nonparametric instrumental variable (IV) regression. A leading strategy employs \emph{spectral features} - that is, learned features spanning the top eigensubspaces of the operator linking treatments to instruments. We derive a generalization error bound for a two-stage least squares estimator based on spectral features, and gain insights into the method's performance and failure modes. We show that performance depends on two key factors, leading to a clear taxonomy of outcomes. In a \emph{good} scenario, the approach is optimal. This occurs with strong \emph{spectral alignment}, meaning the structural function is well-represented by the top eigenfunctions of the conditional operator, coupled with this operator's slow eigenvalue decay, indicating a strong instrument. Performance degrades in a \emph{bad} scenario: spectral alignment remains strong, but rapid eigenvalue decay (indicating a weaker instrument) demands significantly more samples for effective feature learning. Finally, in the \emph{ugly} scenario, weak spectral alignment causes the method to fail, regardless of the eigenvalues' characteristics. Our synthetic experiments empirically validate this taxonomy. We further introduce a practical procedure to estimate these spectral properties from data, allowing practitioners to diagnose which regime a given problem falls into. We apply this method to the dSprites dataset, demonstrating its utility.

Hypergraphs offer a natural paradigm for modeling complex systems with multi-way interactions. Hypergraph neural networks (HGNNs) have demonstrated remarkable success in learning from such higher-order relational data. While such higher-order modeling enhances relational reasoning, the effectiveness of hypergraph learning remains bottlenecked by two persistent challenges: the scarcity of labeled data inherent to complex systems, and the vulnerability to structural noise in real-world interaction patterns. Traditional data augmentation methods, though successful in Euclidean and graph-structured domains, struggle to preserve the intricate balance between node features and hyperedge semantics, often disrupting the very group-wise interactions that define hypergraph value. To bridge this gap, we present HyperMixup, a hypergraph-aware augmentation framework that preserves higher-order interaction patterns through structure-guided feature mixing. Specifically, HyperMixup contains three critical components: 1) Structure-aware node pairing guided by joint feature-hyperedge similarity metrics, 2) Context-enhanced hierarchical mixing that preserves hyperedge semantics through dual-level feature fusion, and 3) Adaptive topology reconstruction mechanisms that maintain hypergraph consistency while enabling controlled diversity expansion. Theoretically, we establish that our method induces hypergraph-specific regularization effects through gradient alignment with hyperedge covariance structures, while providing robustness guarantees against combined node-hyperedge perturbations. Comprehensive experiments across diverse hypergraph learning tasks demonstrate consistent performance improvements over state-of-the-art baselines, with particular effectiveness in low-label regimes. The proposed framework advances hypergraph representation learning by unifying data augmentation with higher-order topological constraints, offering both practical utility and theoretical insights for relational machine learning.

Egocentric video-language pretraining has significantly advanced video representation learning. Humans perceive and interact with a fully 3D world, developing spatial awareness that extends beyond text-based understanding. However, most previous works learn from 1D text or 2D visual cues, such as bounding boxes, which inherently lack 3D understanding. To bridge this gap, we introduce EgoDTM, an Egocentric Depth- and Text-aware \textbf{M}odel, jointly trained through large-scale 3D-aware video pretraining and video-text contrastive learning. EgoDTM incorporates a lightweight 3D-aware decoder to efficiently learn 3D-awareness from pseudo depth maps generated by depth estimation models. To further facilitate 3D-aware video pretraining, we enrich the original brief captions with hand-object visual cues by organically combining several foundation models. Extensive experiments demonstrate EgoDTM's superior performance across diverse downstream tasks, highlighting its superior 3D-aware visual understanding. Code: \url{https://anonymous.4open.science/r/EgoDTM}.

Knowledge graphs (KGs) are vital for enabling knowledge reasoning across various domains. Recent KG reasoning methods that integrate both global and local information have achieved promising results. However, existing methods often suffer from score over-smoothing, which blurs the distinction between correct and incorrect answers and hinders reasoning effectiveness. To address this, we propose DuetGraph, a **coarse-to-fine** KG reasoning mechanism with **dual-pathway** global-local fusion. DuetGraph tackles over-smoothing by segregating—rather than stacking—the processing of local (via message passing) and global (via attention) information into two distinct pathways, preventing mutual interference and preserving representational discrimination. In addition, DuetGraph introduces a **coarse-to-fine** optimization, which partitions entities into high- and low-score subsets. This strategy narrows the candidate space and sharpens the score gap between the two subsets, which alleviates over-smoothing and enhances inference quality. Extensive experiments on various datasets demonstrate that DuetGraph achieves state-of-the-art (SOTA) performance, with up to an **8.7\%** improvement in reasoning quality and a **1.8$\times$** acceleration in training efficiency.

Cybersecurity and software research have crossed paths with modern deep learning research for a few years. The power of large language models (LLMs) in particular has intrigued us to apply them to understanding binary code. In this paper, we investigate some of the many ways LLMs can be applied to binary code similarity detection, as it is a significantly more difficult task compared to source code similarity detection due to the sparsity of information and less meaningful syntax. It also has great practical implications, such as vulnerability and malware detection. We find that pretrained LLMs are mostly capable of detecting similar binary code, even with a zero-shot setting. Our main contributions and findings are to provide several supervised fine-tuning methods that, when combined, significantly surpass zero-shot LLMs and state-of-the-art binary code similarity detection methods. Specifically, we up-train the model through data augmentation, translation-style causal learning, LLM2Vec, and cumulative GTE loss. With a complete ablation study, we show that our training method can transform a generic language model into a powerful binary similarity expert, and is also robust and general enough for cross-optimization, cross-architecture, and cross-obfuscation detection.

Multimodal Large Language Models (MLLMs) have shown great potential in revolutionizing Graphical User Interface (GUI) automation. However, existing GUI models mostly rely on learning from nearly error-free offline trajectories, thus lacking reflection and error recovery capabilities. To bridge this gap, we propose GUI-Reflection, a novel framework that explicitly integrates self-reflection and error correction capabilities into end-to-end multimodal GUI models throughout dedicated training stages: GUI-specific pre-training, offline supervised fine-tuning (SFT), and online reflection tuning. GUI-reflection enables self-reflection behavior emergence with fully automated data generation and learning processes without requiring any human annotation. Specifically, 1) we first propose scalable data pipelines to automatically construct reflection and error correction data from existing successful trajectories. While existing GUI models mainly focus on grounding and UI understanding ability, we propose the GUI-Reflection Task Suite to learn and evaluate reflection-oriented abilities explicitly. 2) Furthermore, we built a diverse and efficient environment for online training and data collection of GUI models on mobile devices. 3) We also present an iterative online reflection tuning algorithm leveraging the proposed environment, enabling the model to continuously enhance its reflection and error correction abilities. Our framework equips GUI agents with self-reflection and correction capabilities, paving the way for more robust, adaptable, and intelligent GUI automation, with all data, models, environments, and tools to be released publicly.

We propose an inference-time scaling approach for pretrained flow models. Recently, inference-time scaling has gained significant attention in LLMs and diffusion models, improving sample quality or better aligning outputs with user preferences by leveraging additional computation. For diffusion models, particle sampling has allowed more efficient scaling due to the stochasticity at intermediate denoising steps. On the contrary, while flow models have gained popularity as an alternative to diffusion models--offering faster generation and high-quality outputs--efficient inference-time scaling methods used for diffusion models cannot be directly applied due to their deterministic generative process. To enable efficient inference-time scaling for flow models, we propose three key ideas: 1) SDE-based generation, enabling particle sampling in flow models, 2) Interpolant conversion, broadening the search space and enhancing sample diversity, and 3) Rollover Budget Forcing (RBF), an adaptive allocation of computational resources across timesteps to maximize budget utilization. Our experiments show that SDE-based generation and variance-preserving (VP) interpolant-based generation, improves the performance of particle sampling methods for inference-time scaling in flow models. Additionally, we demonstrate that RBF with VP-SDE achieves the best performance, outperforming all previous inference-time scaling approaches.

Large vision-language models (LVMs) extend large language models (LLMs) with visual perception capabilities, enabling them to process and interpret visual information. A major challenge compromising their reliability is object hallucination that LVMs may generate plausible but factually inaccurate information. We propose a novel \textit{visual adversarial perturbation (VAP)} method to mitigate this hallucination issue. VAP alleviates LVM hallucination by applying strategically optimized visual noise without altering the base model. Our approach formulates hallucination suppression as an optimization problem, leveraging adversarial strategies to generate beneficial visual perturbations that enhance the model's factual grounding and reduce parametric knowledge bias. Extensive experimental results demonstrate that our method consistently reduces object hallucinations across 8 state-of-the-art LVMs, validating its efficacy across diverse evaluations.

Addressing intricate real-world problems necessitates in-depth information seeking and multi-step reasoning. Recent progress in agentic systems, exemplified by Deep Research, underscores the potential for autonomous multi-step research. In this work, we present a cohesive paradigm for building end-to-end agentic information seeking agents from a data-centric and training-stage perspective. Our approach consists of four key stages: (1) browsing data construction, (2) trajectories sampling, (3) supervised fine-tuning for effective cold start, and (4) reinforcement learning for enhanced generalisation. We instantiate this framework in a web agent based on the ReAct format, WebDancer. Empirical evaluations on the challenging GAIA and WebWalkerQA benchmarks demonstrate the strong performance of WebDancer, achieving considerable results and highlighting the efficacy of our training paradigm. Further analysis of agent training provides valuable insights and actionable, systematic pathways for developing more capable agentic models.

Online, real-time, and fine-grained 3D segmentation constitutes a fundamental capability for embodied intelligent agents to perceive and comprehend their operational environments. Recent advancements employ predefined object queries to aggregate semantic information from Vision Foundation Models (VFMs) outputs that are lifted into 3D point clouds, facilitating spatial information propagation through inter-query interactions. Nevertheless, perception, whether human or robotic, is an inherently dynamic process, rendering temporal understanding a critical yet overlooked dimension within these prevailing query-based pipelines. This deficiency in temporal reasoning can exacerbate issues such as the over-segmentation commonly produced by VFMs, necessitating more handcrafted post-processing. Therefore, to further unlock the temporal environmental perception capabilities of embodied agents, our work reconceptualizes online 3D segmentation as an instance tracking problem (AutoSeg3D). Our core strategy involves utilizing object queries for temporal information propagation, where long-term instance association promotes the coherence of features and object identities, while short-term instance update enriches instant observations. Given that viewpoint variations in embodied robotics often lead to partial object visibility across frames, this mechanism aids the model in developing a holistic object understanding beyond incomplete instantaneous views. Furthermore, we introduce spatial consistency learning to mitigate the fragmentation problem inherent in VFMs, yielding more comprehensive instance information for enhancing the efficacy of both long-term and short-term temporal learning. The temporal information exchange and consistency learning facilitated by these sparse object queries not only enhance spatial comprehension but also circumvent the computational burden associated with dense temporal point cloud interactions. Our method establishes a new state-of-the-art, surpassing ESAM by 2.8 AP on ScanNet200 and delivering consistent gains on ScanNet, SceneNN, and 3RScan datasets, corroborating that identity-aware temporal reasoning is a crucial, previously underemphasized component for robust 3D segmentation in real-time embodied intelligence. Code is at https://github.com/AutoLab-SAI-SJTU/AutoSeg3D.

Semantic correspondence (SC) aims to establish semantically meaningful matches across different instances of an object category. We illustrate how recent supervised SC methods remain limited in their ability to generalize beyond sparsely annotated training keypoints, effectively acting as keypoint detectors. To address this, we propose a novel approach for learning dense correspondences by lifting 2D keypoints into a canonical 3D space using monocular depth estimation. Our method constructs a continuous canonical manifold that captures object geometry without requiring explicit 3D supervision or camera annotations. Additionally, we introduce SPair-U, an extension of SPair-71k with novel keypoint annotations, to better assess generalization. Experiments not only demonstrate that our model significantly outperforms supervised baselines on unseen keypoints, highlighting its effectiveness in learning robust correspondences, but that unsupervised baselines outperform supervised counterparts when generalized across different datasets.

This paper addresses the challenge of achieving high-quality and fast image generation that aligns with complex human preferences. While recent advancements in diffusion models and distillation have enabled rapid generation, the effective integration of reward feedback for improved abilities like controllability and preference alignment remains a key open problem. Existing reward-guided post-training approaches targeting accelerated few-step generation often deem diffusion distillation losses indispensable. However, in this paper, we identify an interesting yet fundamental paradigm shift: as conditions become more specific, well-designed reward functions emerge as the primary driving force in training strong, few-step image generative models. Motivated by this insight, we introduce Reward-Instruct, a novel and surprisingly simple reward-centric approach for converting pre-trained base diffusion models into reward-enhanced few-step generators. Unlike existing methods, Reward-Instruct does not rely on expensive yet tricky diffusion distillation losses. Instead, it iteratively updates the few-step generator's parameters by directly sampling from a reward-tilted parameter distribution. Such a training approach entirely bypasses the need for expensive diffusion distillation losses, making it favorable to scale in high image resolutions. Despite its simplicity, Reward-Instruct yields surprisingly strong performance. Our extensive experiments on text-to-image generation have demonstrated that Reward-Instruct achieves state-of-the-art results in visual quality and quantitative metrics compared to distillation-reliant methods, while also exhibiting greater robustness to the choice of reward function.

When a prediction algorithm serves a collection of users, disparities in prediction quality are likely to emerge. If users respond to accurate predictions by increasing engagement, inviting friends, or adopting trends, repeated learning creates a feedback loop that shapes both the model and the population of its users. In this work, we introduce evolutionary prediction games, a framework grounded in evolutionary game theory which models such feedback loops as natural-selection processes among groups of users. Our theoretical analysis reveals a gap between idealized and real-world learning settings: In idealized settings with unlimited data and computational power, repeated learning creates competition and promotes competitive exclusion across a broad class of behavioral dynamics. However, under realistic constraints such as finite data, limited compute, or risk of overfitting, we show that stable coexistence and mutualistic symbiosis between groups becomes possible. We analyze these possibilities in terms of their stability and feasibility, present mechanisms that can sustain their existence, and empirically demonstrate our findings.

Combinatorial optimization (CO) problems, central to decision-making scenarios like logistics and manufacturing, are traditionally solved using problem-specific algorithms requiring significant domain expertise. While large language models (LLMs) have shown promise in automating CO problem solving, existing approaches rely on intermediate steps such as code generation or solver invocation, limiting their generality and accessibility. This paper introduces a novel framework that empowers LLMs to serve as end-to-end CO solvers by directly mapping natural language problem descriptions to solutions. We propose a two-stage training strategy: supervised fine-tuning (SFT) imparts LLMs with solution construction patterns from domain-specific solvers, while a feasibility-and-optimality-aware reinforcement learning (FOARL) process explicitly mitigates constraint violations and refines solution quality. Evaluation across seven NP-hard CO problems shows that our method achieves a high feasibility rate and reduces the average optimality gap to 1.03–8.20% by tuning a 7B-parameter LLM, surpassing both general-purpose LLMs (e.g., GPT-4o), reasoning models (e.g., DeepSeek-R1), and domain-specific heuristics. Our method establishes a unified language-based pipeline for CO without extensive code execution or manual architectural adjustments for different problems, offering a general and language-driven alternative to traditional solver design while maintaining relative feasibility guarantees.

Industrial anomaly segmentation relies heavily on pixel-level annotations, yet real-world anomalies are often scarce, diverse, and costly to label. Segmentation-oriented industrial anomaly synthesis (SIAS) has emerged as a promising alternative; however, existing methods struggle to balance sampling efficiency and generation quality. Moreover, most approaches treat all spatial regions uniformly, overlooking the distinct statistical differences between anomaly and background areas. This uniform treatment hinders the synthesis of controllable, structure-specific anomalies tailored for segmentation tasks. In this paper, we propose FAST, a foreground-aware diffusion framework featuring two novel modules: the Anomaly-Informed Accelerated Sampling (AIAS) and the Foreground-Aware Reconstruction Module (FARM). AIAS is a training-free sampling algorithm specifically designed for segmentation-oriented industrial anomaly synthesis, which accelerates the reverse process through coarse-to-fine aggregation and enables the synthesis of state-of-the-art segmentation-oriented anomalies in as few as 10 steps. Meanwhile, FARM adaptively adjusts the anomaly-aware noise within the masked foreground regions at each sampling step, preserving localized anomaly signals throughout the denoising trajectory. Extensive experiments on multiple industrial benchmarks demonstrate that FAST consistently outperforms existing anomaly synthesis methods in downstream segmentation tasks. We release the code in https://github.com/Chhro123/fast-foreground-aware-anomaly-synthesis.

Semantic segmentation of electron microscopy (EM) images of biological samples remains a challenge in the life sciences. EM data captures details of biological structures, sometimes with such complexity that even human observers can find it overwhelming. We introduce $\epsilon$-Seg, a method based on hierarchical variational autoencoders (HVAEs), employing center-region masking, sparse label contrastive learning (CL), a Gaussian mixture model (GMM) prior, and clustering-free label prediction. Center-region masking and the inpainting loss encourage the model to learn robust and representative embeddings to distinguish the desired classes, even if training labels are sparse ($0.05$\% of the total image data or less). For optimal performance, we employ CL and a GMM prior to shape the latent space of the HVAE such that encoded input patches tend to cluster w.r.t. the semantic classes we wish to distinguish. Finally, instead of clustering latent embeddings for semantic segmentation, we propose a MLP semantic segmentation head to directly predict class labels from latent embeddings. We show empirical results of $\epsilon$-Seg and baseline methods on $2$ dense EM datasets of biological tissues and demonstrate the applicability of our method also on fluorescence microscopy data. Our results show that $\epsilon$-Seg is capable of achieving competitive sparsely-supervised segmentation results on complex biological image data, even if only limited amounts of training labels are available. Code available at https://github.com/juglab/eps-Seg.

Dynamic pricing algorithms typically assume continuous price variables, which may not reflect real-world scenarios where prices are often discrete. This paper demonstrates that leveraging discrete price information within a semi-parametric model can substantially improve performance, depending on the size of the support set of the price variable relative to the time horizon. Specifically, we propose a novel semi-parametric contextual dynamic pricing algorithm, namely BayesCoxCP, based on a Bayesian approach to the Cox proportional hazards model. Our theoretical analysis establishes high-probability regret bounds that adapt to the sparsity level $\gamma$, proving that our algorithm achieves a regret upper bound of $\widetilde{O}(T^{(1+\gamma)/2}+\sqrt{dT})$ for $\gamma < 1/3$ and $\widetilde{O}(T^{2/3}+\sqrt{dT})$ for $\gamma \geq 1/3$, where $\gamma$ represents the sparsity of the price grid relative to the time horizon $T$. Through numerical experiments, we demonstrate that our proposed algorithm significantly outperforms an existing method, particularly in scenarios with sparse discrete price points.

We study the Quality of Service Degradation (QoSD) problem, in which an adversary perturbs edge weights to degrade network performance. This setting arises in both network infrastructures and distributed ML systems, where communication quality, not just connectivity, determines functionality. While classical methods rely on combinatorial optimization, and recent ML approaches address only restricted linear variants with small-size networks, no prior model directly tackles the QoSD problem under nonlinear edge-weight functions. This work proposes Hephaestus, a self-reinforcing generative framework that synthesizes feasible solutions in latent space, to fill this gap. Our method includes three phases: (1) Forge: a Predictive Path-Stressing (PPS) algorithm that uses graph learning and approximation to produce feasible solutions with performance guarantee, (2) Morph: a new theoretically grounded training paradigm for Mixture of Conditional VAEs guided by an energy-based model to capture solution feature distributions, and (3) Refine: a reinforcement learning agent that explores this space to generate progressively near-optimal solutions using our designed differentiable reward function. Experiments on both synthetic and real-world networks show that our approach consistently outperforms classical and ML baselines, particularly in scenarios with nonlinear cost functions where traditional methods fail to generalize.

Skill assessment from video entails rating the quality of a person’s physical performance and explaining what could be done better. Today’s models specialize for an individual sport, and suffer from the high cost and scarcity of expert-level supervision across the long tail of sports. Towards closing that gap, we explore transferable video representations for skill assessment. Our CrossTrainer approach discovers skill-attributes—such as balance, control, and hand positioning—whose meaning transcends the boundaries of any given sport, then trains a multimodal language model to generate actionable feedback for a novel video, e.g., “lift hands more to generate more power” as well as its proficiency level, e.g., early expert. We validate the new model on multiple datasets for both cross-sport (transfer) and intra-sport (in-domain) settings, where it achieves gains up to 60% relative to the state of the art. By abstracting out the shared behaviors indicative of human skill, the proposed video representation generalizes substantially better than an array of existing techniques, enriching today’s multimodal large language models.