NeurIPS 2025 论文列表

Network pruning reduces computational requirements of large neural networks, with N:M sparsity—retaining only N out of every M consecutive weights—offering a compelling balance between compressed model quality and hardware acceleration. However, N:M sparsity only accelerates forward-pass computations, as N:M patterns are not preserved during matrix transposition, limiting efficiency during training where both passes are computationally intensive. While transposable N:M sparsity has been proposed to address this limitation, existing methods for finding transposable N:M sparse masks either fail to scale to large models or are restricted to M=4 which results in suboptimal compression-accuracy trade-off. We introduce an efficient solver for transposable N:M masks that scales to billion-parameter models. We formulate mask generation as optimal transport problems and solve through entropy regularization and Dykstra's algorithm, followed by a rounding procedure. Our tensor-based implementation exploits GPU parallelism, achieving up to 100× speedup with only 1-10\% error compared to existing methods. Our approach can be integrated with layer-wise N:M pruning frameworks including Wanda, SparseGPT and ALPS to produce transposable N:M sparse models with arbitrary N:M values. Experiments show that LLaMA3.2-8B with transposable 16:32 sparsity maintains performance close to its standard N:M counterpart and outperforms standard 2:4 sparse model, showing the practical value of our approach. Our code is available at https://github.com/mazumder-lab/TSENOR.

Recent large-scale reasoning models have achieved state-of-the-art performance on challenging mathematical benchmarks, yet the internal mechanisms underlying their success remain poorly understood. In this work, we introduce the notion of a reasoning graph, extracted by clustering hidden‐state representations at each reasoning step, and systematically analyze three key graph-theoretic properties: cyclicity, diameter, and small-world index, across multiple tasks (GSM8K, MATH500, AIME~2024). Our findings reveal that distilled reasoning models (e.g., DeepSeek-R1-Distill-Qwen-32B) exhibit significantly more recurrent cycles (about 5 per sample), substantially larger graph diameters, and pronounced small-world characteristics (about 6x) compared to their base counterparts. Notably, these structural advantages grow with task difficulty and model capacity, with cycle detection peaking at the 14B scale and exploration diameter maximized in the 32B variant, correlating positively with accuracy. Furthermore, we show that supervised fine-tuning on an improved dataset systematically expands reasoning graph diameters in tandem with performance gains, offering concrete guidelines for dataset design aimed at boosting reasoning capabilities. By bridging theoretical insights into reasoning graph structures with practical recommendations for data construction, our work advances both the interpretability and the efficacy of large reasoning models.

Paired RGB-thermal data is crucial for visual-thermal sensor fusion and cross-modality tasks, including important applications such as multi-modal image alignment and retrieval. However, the scarcity of synchronized and calibrated RGB-thermal image pairs presents a major obstacle to progress in these areas. To overcome this challenge, RGB-to-Thermal (RGB-T) image translation has emerged as a promising solution, enabling the synthesis of thermal images from abundant RGB datasets for training purposes. In this study, we propose ThermalGen, an adaptive flow-based generative model for RGB-T image translation, incorporating an RGB image conditioning architecture and a style-disentangled mechanism. To support large-scale training, we curated eight public satellite-aerial, aerial, and ground RGB-T paired datasets, and introduced three new large-scale satellite-aerial RGB-T datasets--DJI-day, Bosonplus-day, and Bosonplus-night--captured across diverse times, sensor types, and geographic regions. Extensive evaluations across multiple RGB-T benchmarks demonstrate that ThermalGen achieves comparable or superior translation performance compared to existing GAN-based and diffusion-based methods. To our knowledge, ThermalGen is the first RGB-T image translation model capable of synthesizing thermal images that reflect significant variations in viewpoints, sensor characteristics, and environmental conditions. Project page: http://xjh19971.github.io/ThermalGen

Gradient-based data attribution methods, such as influence functions, are critical for understanding the impact of individual training samples without requiring repeated model retraining. However, their scalability is often limited by the high computational and memory costs associated with per-sample gradient computation. In this work, we propose **GraSS**, a novel gradient compression algorithm and its variants **FactGraSS** for linear layers specifically, that explicitly leverage the inherent sparsity of per-sample gradients to achieve sub-linear space and time complexity. Extensive experiments demonstrate the effectiveness of our approach, achieving substantial speedups while preserving data influence fidelity. In particular, **FactGraSS** achieves up to 165% faster throughput on billion-scale models compared to the previous state-of-the-art baselines. Our code is publicly available at https://github.com/TRAIS-Lab/GraSS.

In the era of large-scale foundation models, fully fine-tuning pretrained networks for each downstream task is often prohibitively resource-intensive. Prompt tuning offers a lightweight alternative by introducing tunable prompts while keeping the backbone frozen. However, existing visual prompt tuning methods often fail to specialize the prompts or enrich the representation space--especially when applied to self-supervised backbones. We show that these limitations become especially pronounced in challenging tasks and data-scarce settings, where effective adaptation is most critical. In this work, we introduce VIPAMIN, a visual prompt initialization strategy that enhances adaptation of self-supervised models by (1) aligning prompts with semantically informative regions in the embedding space, and (2) injecting novel representational directions beyond the pretrained subspace. Despite its simplicity--requiring only a single forward pass and lightweight operations--VIPAMIN consistently improves performance across diverse tasks and dataset sizes, setting a new state of the art in visual prompt tuning.

Long-horizon planning in robotic manipulation tasks requires translating underspecified, symbolic goals into executable control programs satisfying spatial, temporal, and physical constraints. However, language model-based planners often struggle with long-horizon task decomposition, robust constraint satisfaction, and adaptive failure recovery. We introduce InstructFlow, a multi-agent framework that establishes a symbolic, feedback-driven flow of information for code generation in robotic manipulation tasks. InstructFlow employs a InstructFlow Planner to construct and traverse a hierarchical instruction graph that decomposes goals into semantically meaningful subtasks, while a Code Generator generates executable code snippets conditioned on this graph. Crucially, when execution failures occur, a Constraint Generator analyzes feedback and induces symbolic constraints, which are propagated back into the instruction graph to guide targeted code refinement without regenerating from scratch. This dynamic, graph-guided flow enables structured, interpretable, and failure-resilient planning, significantly improving task success rates and robustness across diverse manipulation benchmarks, especially in constraint-sensitive and long-horizon scenarios.

Latent component identification from unknown *nonlinear* mixtures is a foundational challenge in machine learning, with applications in tasks such as self-supervised learning and causal representation learning. Prior work in *nonlinear independent component analysis* (nICA) has shown that auxiliary signals---such as weak supervision---can support *identifiability* of conditionally independent latent components. More recent approaches explore structural assumptions, like sparsity in the Jacobian of the mixing function, to relax such requirements. In this work, we introduce *Diverse Influence Component Analysis* (DICA), a framework that exploits the convex geometry of the mixing function’s Jacobian. We propose a *Jacobian Volume Maximization* (J-VolMax) criterion, which enables latent component identification by encouraging diversity in their influence on the observed variables. Under suitable conditions, this approach achieves identifiability without relying on auxiliary information, latent component independence, or Jacobian sparsity assumptions. These results extend the scope of identifiability analysis and offer a complementary perspective to existing methods.

In this work, we present GPDiT, a Generative Pre-trained Autoregressive Diffusion Transformer that unifies the strengths of diffusion and autoregressive modeling for long-range video synthesis, within a continuous latent space. Instead of predicting discrete tokens, GPDiT autoregressively predicts future latent frames using a diffusion loss, enabling natural modeling of motion dynamics and semantic consistency across frames. This continuous autoregressive framework not only enhances generation quality but also endows the model with representation capabilities. Additionally, we introduce a lightweight causal attention variant and a parameter-free rotation-based time-conditioning mechanism, improving both the training and inference efficiency. Extensive experiments demonstrate that GPDiT achieves strong performance in video generation quality, video representation ability, and few-shot learning tasks, highlighting its potential as an effective framework for video modeling in continuous space.

While recent success of large reasoning models (LRMs) significantly advanced LLMs' reasoning capability by optimizing the final answer accuracy using reinforcement learning, they may also drastically increase the output length due to *overthinking*—characterized by unnecessarily complex reasoning paths that waste computation and potentially degrade the performance. We hypothesize that such inefficiencies stem from LRMs' limited capability to dynamically select the proper modular reasoning strategies, termed *thinking patterns* at the right position. To investigate this hypothesis, we propose a dynamic optimization framework that segments model-generated reasoning paths into distinct thinking patterns, systematically identifying and promoting beneficial patterns that improve the answer while removing detrimental ones. Empirical analysis confirms that our optimized thinking paths yield more concise yet sufficiently informative trajectories, enhancing reasoning efficiency by reducing attention FLOPs by up to 47% while maintaining accuracy for originally correct responses. Moreover, a non-trivial portion of originally incorrect responses are transformed into correct ones, achieving a 15.6% accuracy improvement with reduced length. Motivated by the improvement brought by the optimized thinking paths, we apply a preference optimization technique supported by a pairwise dataset contrasting suboptimal and optimal reasoning paths. Experimental evaluations across multiple mathematical reasoning benchmarks reveal that our method notably reduces computational overhead while simultaneously improving reasoning accuracy, achieving up to a 12% accuracy improvement and reducing token usage from approximately 5,000 to 3,000 tokens.

Recent advances in large vision-language models (LVLMs) have demonstrated strong performance on general-purpose medical tasks. However, their effectiveness in specialized domains such as dentistry remains underexplored. In particular, panoramic X-rays, a widely used imaging modality in oral radiology, pose interpretative challenges due to dense anatomical structures and subtle pathological cues, which are not captured by existing medical benchmarks or instruction datasets. To this end, we introduce MMOral, the first large-scale multimodal instruction dataset and benchmark tailored for panoramic X-ray interpretation. MMOral consists of 20,563 annotated images paired with 1.3 million instruction-following instances across diverse task types, including attribute extraction, report generation, visual question answering, and image-grounded dialogue. In addition, we present MMOral-Bench, a comprehensive evaluation suite covering five key diagnostic dimensions in dentistry. We evaluate 64 LVLMs on MMOral-Bench and find that even the best-performing model, i.e., GPT-4o, only achieves 43.31% accuracy, revealing significant limitations of current models in this domain. To promote the progress of this specific domain, we provide the supervised fine-tuning (SFT) process utilizing our meticulously curated MMOral instruction dataset. Remarkably, a single epoch of SFT yields substantial performance enhancements for LVLMs, e.g., Qwen2.5-VL-7B demonstrates a 24.73% improvement. MMOral holds significant potential as a critical foundation for intelligent dentistry and enables more clinically impactful multimodal AI systems in the dental field.

In the incentivized exploration model, a principal aims to explore and learn over time by interacting with a sequence of self-interested agents. It has been recently understood that the main challenge in designing incentive-compatible algorithms for this problem is to gather a moderate amount of initial data, after which one can obtain near-optimal regret via posterior sampling. With high-dimensional contexts, however, this \emph{initial exploration} phase requires exponential sample complexity in some cases, which prevents efficient learning unless initial data can be acquired exogenously. We show that these barriers to exploration disappear under mild geometric conditions on the set of available actions, in which case incentive-compatibility does not preclude regret-optimality. Namely, we consider the linear bandit model with actions in the Euclidean unit ball, and give an incentive-compatible exploration algorithm with sample complexity that scales polynomially with the dimension and other parameters.

Estimating scene lighting from a single image or video remains a longstanding challenge in computer vision and graphics. Learning-based approaches are constrained by the scarcity of ground-truth HDR environment maps, which are expensive to capture and limited in diversity. While recent generative models offer strong priors for image synthesis, lighting estimation remains difficult due to its reliance on indirect visual cues, the need to infer global (non-local) context, and the recovery of high-dynamic-range outputs. We propose LuxDiT, a novel data-driven approach that fine-tunes a video diffusion transformer to generate HDR environment maps conditioned on visual input. Trained on a large synthetic dataset with diverse lighting conditions, our model learns to infer illumination from indirect visual cues and generalizes effectively to real-world scenes. To improve semantic alignment between the input and the predicted environment map, we introduce a low-rank adaptation finetuning strategy using a collected dataset of HDR panoramas. Our method produces accurate lighting predictions with realistic angular high-frequency details, outperforming existing state-of-the-art techniques in both quantitative and qualitative evaluations.

Uncovering cause-and-effect mechanisms from data is fundamental to scientific progress. While large language models (LLMs) show promise for enhancing causal discovery (CD) from unstructured data, their application to the increasingly prevalent multimodal setting remains a critical challenge. Even with the advent of multimodal LLMs (MLLMs), their efficacy in multimodal CD is hindered by two primary limitations: (1) difficulty in exploring intra- and inter-modal interactions for comprehensive causal variable identification; and (2) insufficiency to handle structural ambiguities with purely observational data. To address these challenges, we propose MLLM-CD, a novel framework for multimodal causal discovery from unstructured data. It consists of three key components: (1) a novel contrastive factor discovery module to identify genuine multimodal factors based on the interactions explored from contrastive sample pairs; (2) a statistical causal structure discovery module to infer causal relationships among discovered factors; and (3) an iterative multimodal counterfactual reasoning module to refine the discovery outcomes iteratively by incorporating the world knowledge and reasoning capabilities of MLLMs. Extensive experiments on both synthetic and real-world datasets demonstrate the effectiveness of the proposed MLLM-CD in revealing genuine factors and causal relationships among them from multimodal unstructured data. The implementation code and data are available at https://github.com/JinLi-i/MLLM-CD.

Federated Learning (FL) enables collaborative model training across multiple clients while preserving data privacy. Traditional FL methods often use a global model to fit all clients, assuming that clients' data are independent and identically distributed (IID). However, when this assumption does not hold, the global model accuracy may drop significantly, limiting FL applicability in real-world scenarios. To address this gap, we propose FLUX, a novel clustering-based FL (CFL) framework that addresses the four most common types of distribution shifts during both training and test time. To this end, FLUX leverages privacy-preserving client-side descriptor extraction and unsupervised clustering to ensure robust performance and scalability across varying levels and types of distribution shifts. Unlike existing CFL methods addressing non-IID client distribution shifts, FLUX i) does not require any prior knowledge of the types of distribution shifts or the number of client clusters, and ii) supports test-time adaptation, enabling unseen and unlabeled clients to benefit from the most suitable cluster-specific models. Extensive experiments across four standard benchmarks, two real-world datasets and ten state-of-the-art baselines show that FLUX improves performance and stability under diverse distribution shifts—achieving an average accuracy gain of up to 23 percentage points over the best-performing baselines—while maintaining computational and communication overhead comparable to FedAvg.

The imperative of user privacy protection and regulatory compliance necessitates sensitive data removal in model training, yet this process often induces distributional shifts that undermine model performance-particularly in out-of-distribution (OOD) scenarios. We propose a novel data removal approach that enhances deep predictive models through factor decorrelation and loss perturbation. Our approach introduces: (1) a discriminative-preserving factor decorrelation module employing dynamic adaptive weight adjustment and iterative representation updating to reduce feature redundancy and minimize inter-feature correlations. (2) a smoothed data removal mechanism with loss perturbation that creates information-theoretic safeguards against data leakage during removal operations. Extensive experiments on five benchmark datasets show that our approach outperforms other baselines and consistently achieves high predictive accuracy and robustness even under significant distribution shifts. The results highlight its superior efficiency and adaptability in both in-distribution and out-of-distribution scenarios.

Federated learning (FL) is an effective and widely used approach to training deep learning models on decentralized datasets held by distinct clients. FL also strengthens both security and privacy protections for training data. Common challenges associated with statistical heterogeneity between distributed datasets have spurred significant interest in personalized FL (pFL) methods, where models combine aspects of global learning with local modeling specific to each client’s unique characteristics. This work investigates the efficacy of theoretically supported, adaptive MMD measures in pFL, primarily focusing on the Ditto framework, a state-of-the-art technique for distributed data heterogeneity. The use of such measures significantly improves model performance across a variety of tasks, especially those with pronounced feature heterogeneity. Additional experiments demonstrate that such measures are directly applicable to other pFL techniques and yield similar improvements across a number of datasets. Finally, the results motivate the use of constraints tailored to the various kinds of heterogeneity expected in FL systems.

Adversarial training has emerged as a key technique to enhance model robustness against adversarial input perturbations. Many of the existing methods rely on computationally expensive min-max problems that limit their application in practice. We propose a novel formulation of adversarial training in reproducing kernel Hilbert spaces, shifting from input to feature-space perturbations. This reformulation enables the exact solution of inner maximization and efficient optimization. It also provides a regularized estimator that naturally adapts to the noise level and the smoothness of the underlying function. We establish conditions under which the feature-perturbed formulation is a relaxation of the original problem and propose an efficient optimization algorithm based on iterative kernel ridge regression. We provide generalization bounds that help to understand the properties of the method. We also extend the formulation to multiple kernel learning. Empirical evaluation shows good performance in both clean and adversarial settings.

Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences often remain unchanged between consecutive sampling steps; consequently, the model repeatedly processes identical inputs, leading to redundant computation. To address this inefficiency, we propose the Partial masking scheme (Prime), which augments MDM by allowing tokens to take intermediate states interpolated between the masked and unmasked states. This design enables the model to make predictions based on partially observed token information, and facilitates a fine-grained denoising process. We derive a variational training objective and introduce a simple architectural design to accommodate intermediate-state inputs. Our method demonstrates superior performance across a diverse set of generative modeling tasks. On text data, it achieves a perplexity of 15.36 on OpenWebText, outperforming previous MDM (21.52), autoregressive models (17.54), and their hybrid variants (17.58), without relying on an autoregressive formulation. On image data, it attains competitive FID scores of 3.26 on CIFAR-10 and 6.98 on ImageNet-32, comparable to leading continuous generative models.

Training-free guidance enables controlled generation in diffusion and flow models, but most methods rely on gradients and assume differentiable objectives. This work focuses on training-free guidance addressing challenges from non-differentiable objectives and discrete data distributions. We propose TreeG: Tree Search-Based Path Steering Guidance, applicable to both continuous and discrete settings in diffusion and flow models. TreeG offers a unified framework for training-free guidance by proposing, evaluating, and selecting candidates at each step, enhanced with tree search over active paths and parallel exploration. We comprehensively investigate the design space of TreeG over the candidate proposal module and the evaluation function, instantiating TreeG into three novel algorithms. Our experiments show that TreeG consistently outperforms top guidance baselines in symbolic music generation, small molecule design, and enhancer DNA design with improvements of 29.01%, 26.38%, and 18.43%. Additionally, we identify an inference-time scaling law showing TreeG's scalability in inference-time computation.