NeurIPS 2025 Papers

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, leading to inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that _samples_ from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant Diffusion Tree Search (DTS*) performs a robust search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to $5\times$ less compute. In text-to-image generation and language completion tasks, DTS* effectively searches for high reward samples that match best-of-N with $2\times$ less compute. By reusing information from previous generations, we get an _anytime algorithm_ that turns additional compute budget into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

Graph Neural Networks (GNNs) are vulnerable to backdoor attacks. Existing defenses primarily rely on detecting structural anomalies, distributional outliers, or perturbation-induced prediction instability, which struggle to handle the more subtle, feature-based attacks that do not introduce obvious topological changes. Our empirical analysis reveals that both structure-based and feature-based attacks not only cause early loss convergence of target nodes but also induce a class-coherent loss drift, where this early convergence gradually spreads to nearby clean nodes, leading to significant distribution overlap. To address this issue, we propose LoSplit, the first training-time defense framework in graph that leverages this early-stage loss drift to accurately split target nodes. Our method dynamically selects epochs with maximal loss divergence, clusters target nodes via Gaussian Mixture Models (GMM), and applies a Decoupling-Forgetting strategy to break the association between target nodes and malicious label. Extensive experiments on multiple real-world datasets demonstrate the effectiveness of our approach, significantly reducing attack success rates while maintaining high clean accuracy across diverse backdoor attack strategies.

While data-driven methods such as neural operator have achieved great success in solving differential equations (DEs), they suffer from domain shift problems caused by different learning environments (with data bias or equation changes), which can be alleviated by transfer learning (TL). However, existing TL methods adopted in DEs problems lack either generalizability in general DEs problems or physics preservation during training. In this work, we focus on a general transfer learning method that adaptively correct the domain shift and preserve physical relation within the equation. Mathematically, we characterize the data domain as product distribution and the essential problems as distribution bias and operator bias. A Physics-preserved Optimal Tensor Transport (POTT) method that simultaneously admits generalizability to common DEs and physics preservation of specific problem is proposed to adapt the data-driven model to target domain, utilizing the pushforward distribution induced by the POTT map. Extensive experiments in simulation and real-world datasets demonstrate the superior performance, generalizability and physics preservation of the proposed POTT method.

*Can algebraic geometry enhance the sharpness, robustness, and interpretability of modern neural reasoning models by equipping them with a mathematically grounded inductive bias?* To answer this, we introduce Tropical Attention, an attention mechanism grounded in tropical geometry that lifts the attention kernel into tropical projective space, where reasoning is piecewise-linear and 1-Lipschitz, thus preserving the polyhedral decision structure inherent to combinatorial reasoning. We prove that multi-head Tropical Attention (MHTA) stacks universally approximate tropical circuits and realize tropical transitive closure through composition, achieving polynomial resource bounds without invoking recurrent mechanisms. These guarantees explain why the induced polyhedral decision boundaries remain sharp and scale-invariant, rather than smoothed by Softmax. Empirically, we show that Tropical Attention delivers stronger out-of-distribution generalization in both length and value, with high robustness against perturbative noise, and substantially faster inference with fewer parameters compared to Softmax-based and recurrent attention baselines, respectively. For the first time, we push the domain of neural algorithmic reasoning beyond **PTIME** problems to **NP-hard/complete** problems, paving the way toward sharper and more expressive Large Reasoning Models (LRMs) capable of tackling complex combinatorial challenges in Phylogenetics, Cryptography, Particle Physics, and Mathematical Discovery. The code is available at https://github.com/Baran-phys/Tropical-Attention/.

Solving time-dependent parametric partial differential equations (PDEs) remains a fundamental challenge for neural solvers, particularly when generalizing across a wide range of physical parameters and dynamics. When data is uncertain or incomplete—as is often the case—a natural approach is to turn to generative models. We introduce ENMA, a generative neural operator designed to model spatio-temporal dynamics arising from physical phenomena. ENMA predicts future dynamics in a compressed latent space using a generative masked autoregressive transformer trained with flow matching loss, enabling tokenwise generation. Irregularly sampled spatial observations are encoded into uniform latent representations via attention mechanisms and further compressed through a spatio-temporal convolutional encoder. This allows ENMA to perform in-context learning at inference time by conditioning on either past states of the target trajectory or auxiliary context trajectories with similar dynamics. The result is a robust and adaptable framework that generalizes to new PDE regimes and supports one-shot surrogate modeling of time-dependent parametric PDEs.

Human motion is inherently intentional, yet most motion modeling paradigms focus on low-level kinematics, overlooking the semantic and causal factors that drive behavior. Existing datasets further limit progress: they capture short, decontextualized actions in static scenes, providing little grounding for embodied reasoning. To address these limitations, we introduce $\textit{Intend to Move (I2M)}$, a large-scale, multimodal dataset for intention-grounded motion modeling. I2M contains 10.1 hours of two-person 3D motion sequences recorded in dynamic realistic home environments, accompanied by multi-view RGB-D video, 3D scene geometry, and language annotations of each participant’s evolving intentions. Benchmark experiments reveal a fundamental gap in current motion models: they fail to translate high-level goals into physically and socially coherent motion. I2M thus serves not only as a dataset but as a benchmark for embodied intelligence, enabling research on models that can reason about, predict, and act upon the ``why'' behind human motion.

Deep graph neural networks (GNNs) often suffer from oversmoothing, where node representations become overly homogeneous with increasing depth. While techniques like normalization, residual connections, and edge dropout have been proposed to mitigate oversmoothing, they are typically developed independently, with limited theoretical understanding of their underlying mechanisms. In this work, we present a unified theoretical perspective based on the framework of signed graphs, showing that many existing strategies implicitly introduce negative edges that alter message-passing to resist oversmoothing. However, we show that merely adding negative edges in an unstructured manner is insufficient—the asymptotic behavior of signed propagation depends critically on the strength and organization of positive and negative edges. To address this limitation, we leverage the theory of structural balance, which promotes stable, cluster-preserving dynamics by connecting similar nodes with positive edges and dissimilar ones with negative edges. We propose Structural Balanced Propagation (SBP), a plug-and-play method that assigns signed edges based on either labels or feature similarity to explicitly enhance structural balance in the constructed signed graphs. Experiments on nine benchmarks across both homophilic and heterophilic settings demonstrate that SBP consistently improves classification accuracy and mitigates oversmoothing, even at depths of up to 300 layers. Our results provide a principled explanation for prior oversmoothing remedies and introduce a new direction for signed message-passing design in deep GNNs. Our code is available at https://github.com/kokolerk/sbp.

We introduce a method based on Conformal Prediction (CP) to quantify the uncertainty of full ranking algorithms. We focus on a specific scenario where $n+m$ items are to be ranked by some ``black box'' algorithm. It is assumed that the relative (ground truth) ranking of $n$ of them is known. The objective is then to quantify the error made by the algorithm on the ranks of the $m$ new items among the total $(n+m)$. In such a setting, the true ranks of the $n$ original items in the total $(n+m)$ depend on the (unknown) true ranks of the $m$ new ones. Consequently, we have no direct access to a calibration set to apply a classical CP method. To address this challenge, we propose to construct distribution-free bounds of the unknown conformity scores using recent results on the distribution of conformal p-values. Using these scores upper bounds, we provide valid prediction sets for the rank of any item. We also control the false coverage proportion, a crucial quantity when dealing with multiple prediction sets. Finally, we empirically show on both synthetic and real data the efficiency of our CP method for state-of-the-art ranking algorithms such as RankNet or LambdaMart.

Vision-language models have been explored for radiology report generation with promising results. Yet, uncertainty elaborated in findings and the reasoning process for reaching clinical impressions are seldom explicitly modeled, reducing the clinical accuracy and trustworthiness of the generated reports. We present CURV, a novel framework that alleviates the limitations through integrated awareness of uncertainty and explicit reasoning capabilities. Our approach consists of three key components: (1) an uncertainty modeling mechanism that teaches the model to recognize and express appropriate levels of diagnostic confidence, (2) a structured reasoning framework that generates intermediate explanatory steps connecting visual findings to clinical impressions, and (3) a reasoning coherence reward that ensures logical consistency among findings, reasoning, and impressions. We implement CURV through a three-stage training pipeline that combines uncertainty-aware fine-tuning, reasoning initialization, and reinforcement learning. In particular, we adopt a comprehensive reward function addresses multiple aspects of report quality, incorporating medical term matching, uncertainty expression evaluation, and semantic coherence evaluation. Experimental results demonstrate that CURV generates clinically relevant reports with appropriate uncertainty expressions and transparent reasoning traces, significantly outperforming previous methods. CURV represents a substantial advancement toward interpretable and trustworthy AI-generated radiology reports, with broader implications for the deployment of vision-language models in high-stakes clinical environments where uncertainty awareness and reasoning transparency are essential.

Recent advances in large language models (LLMs) have enabled automated dataset labeling with minimal human supervision. While majority voting across multiple LLMs can improve label reliability by mitigating individual model biases, it incurs high computational costs due to repeated querying. In this work, we propose a novel online framework, Cost-aware Majority Voting (CaMVo), for efficient and accurate LLM-based dataset annotation. CaMVo adaptively selects a subset of LLMs for each data instance based on contextual embeddings, balancing confidence and cost without requiring pre-training or ground-truth labels. Leveraging a LinUCB-based selection mechanism and a Bayesian estimator over confidence scores, CaMVo estimates a lower bound on labeling accuracy for each LLM and aggregates responses through weighted majority voting. Our empirical evaluation on the MMLU and IMDB Movie Review datasets demonstrates that CaMVo achieves comparable or superior accuracy to full majority voting while significantly reducing labeling costs. This establishes CaMVo as a practical and robust solution for cost-efficient annotation in dynamic labeling environments.

We propose a new calibration method for survival models based on the Kolmogorov–Smirnov (KS) metric. Existing approaches—including conformal prediction, D-calibration, and Kaplan–Meier (KM)-based methods—often rely on heuristic binning or additional nonparametric estimators, which undermine their adaptability to continuous-time settings and complex model outputs. To address these limitations, we introduce a streamlined $\textit{KS metric-based post-processing}$ framework (KSP) that calibrates survival predictions without relying on discretization or KM estimation. This design enhances flexibility and broad applicability. We conduct extensive experiments on diverse real-world datasets using a variety of survival models. Empirical results demonstrate that our method consistently improves calibration performance over existing methods while maintaining high predictive accuracy. We also provide a theoretical analysis of the KS metric and discuss extensions to in-processing settings.

Recent advances in Large Multi-modal Models (LMMs) have demonstrated their remarkable success as general-purpose multi-modal assistants, with particular focuses on holistic image- and video-language understanding. Conversely, less attention has been given to scaling fine-grained pixel-level understanding capabilities, where the models are expected to realize pixel-level alignment between visual signals and language semantics. Some previous studies have applied LMMs to related tasks such as region-level captioning and referring expression segmentation. However, these models are limited to performing either referring or segmentation tasks independently and fail to integrate these fine-grained perception capabilities into visual reasoning. To bridge this gap, we propose UniPixel, a large multi-modal model capable of flexibly comprehending visual prompt inputs and generating mask-grounded responses. Our model distinguishes itself by seamlessly integrating pixel-level perception with general visual understanding capabilities. Specifically, UniPixel processes visual prompts and generates relevant masks on demand, and performs subsequent reasoning conditioning on these intermediate pointers during inference, thereby enabling fine-grained pixel-level reasoning. The effectiveness of our approach has been verified on 10 benchmarks across a diverse set of tasks, including pixel-level referring/segmentation and object-centric understanding in images/videos. A novel PixelQA task that jointly requires referring, segmentation, and question answering is also designed to verify the flexibility of our method.

Scene understanding in adverse conditions, such as fog, snow, and night, is challenging due to the visual appearance degeneration. In this context, we propose a Cross-modal Semantic Compensation Adaptation method (CroPe) for scene understanding. Distinct from the existing methods, which only use the visual information to learn the domain-invariant features, CroPe establishes a visual-textual paradigm which provides textual semantic compensation for visual features, enabling the model to learn more consistent representations. We propose the Complementary Perceptual Text Generation (CPTG) module which generates a set of multi-level complementary-perceptive text embeddings incorporating both generalization and domain awareness. To achieve cross-modal semantic compensation, the Reverse Chain Text-Visual Fusion (RCTVF) module is developed. By the unified attention and reverse decoding chain, compensation information is successively fused to the visual features from the deep (semantic dense) to shallow (semantic sparse) features, maximizing compensation gain. CroPe yields competitive results under all adverse conditions and significantly improves the state-of-the-art performance by 6.5 mIoU for ACDC-Night dataset and 1.2 mIoU for ACDC-All dataset, respectively.

Three-dimensional Gaussian Splatting (3DGS) has recently emerged as an efficient representation for novel-view synthesis, achieving impressive visual quality. However, in scenes dominated by large and low-texture regions, common in indoor environments, the photometric loss used to optimize 3DGS yields ambiguous geometry and fails to recover high-fidelity 3D surfaces. To overcome this limitation, we introduce PlanarGS, a 3DGS-based framework tailored for indoor scene reconstruction. Specifically, we design a pipeline for Language-Prompted Planar Priors (LP3) that employs a pretrained vision-language segmentation model and refines its region proposals via cross-view fusion and inspection with geometric priors. 3D Gaussians in our framework are optimized with two additional terms: a planar prior supervision term that enforces planar consistency, and a geometric prior supervision term that steers the Gaussians toward the depth and normal cues. We have conducted extensive experiments on standard indoor benchmarks. The results show that PlanarGS reconstructs accurate and detailed 3D surfaces, consistently outperforming state-of-the-art methods by a large margin. Project page: https://planargs.github.io

Achieving immersive auditory experiences in virtual environments requires flexible sound modeling that supports dynamic source positions. In this paper, we introduce a task called resounding, which aims to estimate room impulse responses at arbitrary emitter location from a sparse set of measured emitter positions, analogous to the relighting problem in vision. We leverage the reciprocity property and introduce Versa, a physics-inspired approach to facilitating acoustic field learning. Our method creates physically valid samples with dense virtual emitter positions by exchanging emitter and listener poses. We also identify challenges in deploying reciprocity due to emitter/listener gain patterns and propose a self-supervised learning approach to address them. Results show that Versa substantially improve the performance of acoustic field learning on both simulated and real-world datasets across different metrics. Perceptual user studies show that Versa can greatly improve the immersive spatial sound experience.

We consider the problem of estimating the correlation of two random variables $X$ and $Y$, where the pairs $(X,Y)$ are not observed together, but are instead separated co-ordinate-wise at two servers: server 1 contains all the $X$ observations, and server 2 contains the corresponding $Y$ observations. In this vertically distributed setting, we assume that each server has its own privacy constraints, owing to which they can only share suitably privatized statistics of their own component observations. We consider differing privacy budgets $(\varepsilon_1,\delta_1)$ and $(\varepsilon_2,\delta_2)$ for the two servers and determine the minimax optimal rates for correlation estimation allowing for both non-interactive and interactive mechanisms. We also provide correlation estimators that achieve these rates and further develop inference procedures, namely, confidence intervals, for the estimated correlations. Our results are characterized by an interesting rate in terms of the sample size $n$, $\varepsilon_1$, $\varepsilon_2$, which is strictly slower than the usual central privacy estimation rates. More interestingly, we find that the interactive mechanism is always better than its non-interactive counterpart whenever the two privacy budgets are different. Results from extensive numerical experiments support our theoretical findings.

Most image fusion methods are designed for ideal scenarios and struggle to handle noise. Existing noise-aware fusion methods are supervised and heavily rely on constructed paired data, limiting performance and generalization. This paper proposes a novel unsupervised noisy visible and infrared image fusion method, comprising two key modules. First, when only noisy source images are available, a convolutional low-rank optimization module decomposes clean components based on convolutional low-rank priors, guiding subsequent optimization. The unsupervised approach eliminates data dependency and enhances generalization across various and variable noise. Second, a unified network jointly realizes denoising and fusion. It consists of both intra-modal recovery and inter-modal recovery and fusion, also with a convolutional low-rankness loss for regularization. By exploiting the commonalities of denoising and fusion, the joint framework significantly reduces network complexity while expanding functionality. Extensive experiments validate the effectiveness and generalization of the proposed method for image fusion under various and variable noise conditions. The code is publicly available at https://github.com/hanna-xu/Deno-IF.

Large-scale, high-quality data is essential for advancing the reasoning capabilities of large language models (LLMs). As publicly available Internet data becomes increasingly scarce, synthetic data has emerged as a crucial research direction. However, existing data synthesis methods often suffer from limited scalability, insufficient sample diversity, and a tendency to overfit to seed data, which constrains their practical utility. In this paper, we present \textit{\textbf{GRIP}}, a \textbf{G}raph-based \textbf{R}easoning \textbf{I}nstruction \textbf{P}roducer that efficiently synthesizes high-quality and diverse reasoning instructions. \textit{GRIP} constructs a knowledge graph by extracting high-level concepts from seed data, and uniquely leverages both explicit and implicit relationships within the graph to drive large-scale and diverse instruction data synthesis, while employing open-source multi-model supervision to ensure data quality. We apply \textit{GRIP} to the critical and challenging domain of mathematical reasoning. Starting from a seed set of 7.5K math reasoning samples, we construct \textbf{GRIP-MATH}, a dataset containing 2.1 million synthesized question-answer pairs. Compared to similar synthetic data methods, \textit{GRIP} achieves greater scalability and diversity while also significantly reducing costs. On mathematical reasoning benchmarks, models trained with GRIP-MATH demonstrate substantial improvements over their base models and significantly outperform previous data synthesis methods.

Accelerating model convergence in resource-constrained environments is essential for fast and efficient neural network training. This work presents learn2mix, a new training strategy that adaptively adjusts class proportions within batches, focusing on classes with higher error rates. Unlike classical training methods that use static class proportions, learn2mix continually adapts class proportions during training, leading to faster convergence. Empirical evaluations on benchmark datasets show that neural networks trained with learn2mix converge faster than those trained with existing approaches, achieving improved results for classification, regression, and reconstruction tasks under limited training resources and with imbalanced classes. Our empirical findings are supported by theoretical analysis.