NeurIPS 2025 论文列表

Conference on Neural Information Processing Systems

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5,812篇论文

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主题: 应用 · chemistry physics and earth sciences · 455 篇论文 · 重置筛选

Scaling Physical Reasoning with the PHYSICS Dataset

Shenghe Zheng, Qianjia Cheng, Junchi Yao, Mengsong Wu, Haonan He, Ning Ding, Yu Cheng, Shuyue Hu, Lei Bai, Dongzhan Zhou, Ganqu Cui, Peng Ye

展开摘要

Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding, received limited academic and industrial attention. This paper introduces PHYSICS, a dataset containing 16,568 high-quality physics problems spanning subjects and difficulty levels, to facilitate this issue. Specifically, PHYSICS is curated with exercises from over 100 textbooks through a carefully designed pipeline for quality control. It covers five major physics domains: Mechanics, Electromagnetism, Thermodynamics, Optics, and Modern Physics. It also spans a wide range of difficulty levels, from high school to graduate-level physics courses. To utilize the data for improving and evaluating the model's physical reasoning capabilities, we split the dataset into training and test sets, and provide reasoning paths generated by powerful reasoning models for the training data to facilitate model training. In addition, for the evaluation part, we find that existing evaluation frameworks exhibit biases in aspects such as units, simplification, and precision in physics domain. To balance efficiency and accuracy, we introduce a Rule+Model evaluation framework tailored to physics problems. Our evaluations on current state-of-the-art open-source and proprietary models highlight the limitations of current models in handling physics-related tasks. We hope that our dataset and evaluation methodology will jointly advance the development of LLMs in the field of physics. The code and data can be found at: https://github.com/Zhengsh123/PHYSICS.

Poster
Flow Field Reconstruction with Sensor Placement Policy Learning

Ruoyan Li, Guancheng Wan, Zijie Huang, Zixiao Liu, Haixin Wang, Xiao Luo, Wei Wang, Yizhou Sun

展开摘要

Flow‐field reconstruction from sparse sensor measurements remains a central challenge in modern fluid dynamics, as the need for high‐fidelity data often conflicts with practical limits on sensor deployment. Existing deep learning–based methods have demonstrated promising results, but they typically depend on simplifying assumptions such as two‐dimensional domains, predefined governing equations, synthetic datasets derived from idealized flow physics, and unconstrained sensor placement. In this work, we address these limitations by studying flow reconstruction under realistic conditions and introducing a \emph{directional transport‐aware Graph Neural Network (GNN)} that explicitly encodes both flow directionality and information transport. We further show that conventional sensor placement strategies frequently yield suboptimal configurations. To overcome this, we propose a novel \emph{Two‐Step Constrained PPO} procedure for Proximal Policy Optimization (PPO), which jointly optimizes sensor layouts by incorporating flow variability and accounts for reconstruction model's performance disparity with respect to sensor placement. We conduct comprehensive experiments under realistic assumptions to benchmark the performance of our reconstruction model and sensor placement policy. Together, they achieve significant improvements over existing methods.

Poster
UniRelight: Learning Joint Decomposition and Synthesis for Video Relighting

Kai He, Ruofan Liang, Jacob Munkberg, Jon Hasselgren, Nandita Vijaykumar, Alexander Keller, Sanja Fidler, Igor Gilitschenski, Zan Gojcic, ZiAn Wang

展开摘要

We address the challenge of relighting a single image or video, a task that demands precise scene intrinsic understanding and high-quality light transport synthesis. Existing end-to-end relighting models are often limited by the scarcity of paired multi-illumination data, restricting their ability to generalize across diverse scenes. Conversely, two-stage pipelines that combine inverse and forward rendering can mitigate data requirements but are susceptible to error accumulation and often fail to produce realistic outputs under complex lighting conditions or with sophisticated materials. In this work, we introduce a general-purpose approach that jointly estimates albedo and synthesizes relit outputs in a single pass, harnessing the generative capabilities of video diffusion models. This joint formulation enhances implicit scene comprehension and facilitates the creation of realistic lighting effects and intricate material interactions, such as shadows, reflections, and transparency. Trained on synthetic multi-illumination data and extensive automatically labeled real-world videos, our model demonstrates strong generalization across diverse domains and surpasses previous methods in both visual fidelity and temporal consistency. Our project page is https://research.nvidia.com/labs/toronto-ai/UniRelight/.

Spotlight
MoGe-2: Accurate Monocular Geometry with Metric Scale and Sharp Details

Ruicheng Wang, Sicheng Xu, Yue Dong, Yu Deng, Jianfeng Xiang, Zelong Lv, Guangzhong Sun, Xin Tong, Jiaolong Yang

展开摘要

We propose MoGe-2, an advanced open-domain geometry estimation model that recovers a metric-scale 3D point map of a scene from a single image. Our method builds upon the recent monocular geometry estimation approach, MoGe, which predicts affine-invariant point maps with unknown scales. We explore effective strategies to extend MoGe for metric geometry prediction without compromising the relative geometry accuracy provided by the affine-invariant point representation. Additionally, we discover that noise and errors in real data diminish fine-grained detail in the predicted geometry. We address this by developing a data refinement approach that filters and completes real data using sharp synthetic labels, significantly enhancing the granularity of the reconstructed geometry while maintaining the overall accuracy. We train our model on a large corpus of mixed datasets and conducted comprehensive evaluations, demonstrating its superior performance in achieving accurate relative geometry, precise metric scale, and fine-grained detail recovery -- capabilities that no previous methods have simultaneously achieved.

Poster
Gene Regulatory Network Inference in the Presence of Selection Bias and Latent Confounders

Gongxu Luo, Haoyue Dai, Loka Li, Chengqian Gao, Boyang Sun, Kun Zhang

展开摘要

Gene regulatory network inference (GRNI) aims to discover how genes causally regulate each other from gene expression data. It is well-known that statistical dependencies in observed data do not necessarily imply causation, as spurious dependencies may arise from *latent confounders*, such as non-coding RNAs. Numerous GRNI methods have thus been proposed to address this confounding issue. However, dependencies may also result from *selection*—only cells satisfying certain survival or inclusion criteria are observed—while these selection-induced spurious dependencies are frequently overlooked in gene expression data analyses. In this work, we show that such selection is ubiquitous and, when ignored or conflated with true regulations, can lead to flawed causal interpretation and misguided intervention recommendations. To address this challenge, a fundamental question arises: can we distinguish dependencies due to regulation, confounding, and crucially, selection? We show that gene perturbations offer a simple yet effective answer: selection-induced dependencies are *symmetric* under perturbation, while those from regulation or confounding are not. Building on this motivation, we propose GISL (Gene regulatory network Inference in the presence of Selection bias and Latent confounders), a principled algorithm that leverages perturbation data to uncover both true gene regulatory relations and non-regulatory mechanisms of selection and confounding up to the equivalence class. Experiments on synthetic and real-world gene expression data demonstrate the effectiveness of our method.

Poster
SurfelSplat: Learning Efficient and Generalizable Gaussian Surfel Representations for Sparse-View Surface Reconstruction

Chensheng Dai, Shengjun Zhang, Min Chen, Yueqi Duan

展开摘要

3D Gaussian Splatting (3DGS) has demonstrated impressive performance in 3D scene reconstruction. Beyond novel view synthesis, it shows great potential for multi-view surface reconstruction. Existing methods employ optimization-based reconstruction pipelines that achieve precise and complete surface extractions. However, these approaches typically require dense input views and high time consumption for per-scene optimization. To address these limitations, we propose SurfaceSplat, a feed-forward framework that generates efficient and generalizable pixel-aligned Gaussian surfel representations from sparse-view images. We observe that conventional feed-forward structures struggle to recover accurate geometric attributes of Gaussian surfels because the spatial frequency of pixel-aligned primitives exceeds Nyquist sampling rates. Therefore, we propose a cross-view feature aggregation module based on the Nyquist sampling theorem. Specifically, we first adapt the geometric forms of Gaussian surfels with spatial sampling rate-guided low-pass filters. We then project the filtered surfels across all input views to obtain cross-view feature correlations. By processing these correlations through a specially designed feature fusion network, we can finally regress Gaussian surfels with precise geometry. Extensive experiments on DTU reconstruction benchmarks demonstrate that our model achieves comparable results with state-of-the-art methods, and predict Gaussian surfels within 1 second, offering a 100× speedup without costly per-scene training.

Poster
CALM-PDE: Continuous and Adaptive Convolutions for Latent Space Modeling of Time-dependent PDEs

Jan Hagnberger, Daniel Musekamp, Mathias Niepert

展开摘要

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics. However, performing these computations directly in the physical space often incurs significant computational costs. To address this issue, several neural surrogate models have been developed that operate in a compressed latent space to solve the PDE. While these approaches reduce computational complexity, they often use Transformer-based attention mechanisms to handle irregularly sampled domains, resulting in increased memory consumption. In contrast, convolutional neural networks allow memory-efficient encoding and decoding but are limited to regular discretizations. Motivated by these considerations, we propose CALM-PDE, a model class that efficiently solves arbitrarily discretized PDEs in a compressed latent space. We introduce a novel continuous convolution-based encoder-decoder architecture that uses an epsilon-neighborhood-constrained kernel and learns to apply the convolution operator to adaptive and optimized query points. We demonstrate the effectiveness of CALM-PDE on a diverse set of PDEs with both regularly and irregularly sampled spatial domains. CALM-PDE is competitive with or outperforms existing baseline methods while offering significant improvements in memory and inference time efficiency compared to Transformer-based methods.

Spotlight
A Principled Approach to Randomized Selection under Uncertainty: Applications to Peer Review and Grant Funding

Alexander Koujianos Goldberg, Giulia Fanti, Nihar B Shah

展开摘要

Many decision-making processes involve evaluating and selecting items, including scientific peer review, job hiring, school admissions, and investment decisions. These domains feature error-prone evaluations and uncertainty about outcomes, which undermine deterministic selection rules. Consequently, randomized selection mechanisms are gaining traction. However, current randomized approaches are ad hoc and, as we prove, inappropriate for their purported objectives. We propose a principled framework for randomized decision-making based on interval estimates of item quality. We introduce MERIT (Maximin Efficient Randomized Interval Top-$k$), which maximizes the worst-case expected number of top candidates selected under uncertainty represented by overlapping intervals. MERIT provides optimal resource allocation under an interpretable robustness notion. We develop a polynomial-time, practically efficient algorithm and prove our approach satisfies desirable axiomatic properties not guaranteed by existing methods. Experiments on synthetic peer review data from grant funding and conferences demonstrate that MERIT matches existing algorithms' expected utility under fully probabilistic models while outperforming them under our worst-case formulation.

Spotlight
Position: Bridge the Gaps between Machine Unlearning and AI Regulation

Bill Marino, Meghdad Kurmanji, Nicholas D. Lane

展开摘要

The "right to be forgotten" and the data privacy laws that encode it have motivated machine unlearning since its earliest days. Now, some argue that an inbound wave of artificial intelligence regulations — like the European Union's Artificial Intelligence Act (AIA) — may offer important new use cases for machine unlearning. However, this position paper argues, this opportunity will only be realized if researchers proactively bridge the (sometimes sizable) gaps between machine unlearning's state of the art and its potential applications to AI regulation. To demonstrate this point, we use the AIA as our primary case study. Specifically, we deliver a "state of the union" as regards machine unlearning's current potential (or, in many cases, lack thereof) for aiding compliance with the AIA. This starts with a precise cataloging of the potential applications of machine unlearning to AIA compliance. For each, we flag the technical gaps that exist between the potential application and the state of the art of machine unlearning. Finally, we end with a call to action: for machine learning researchers to solve the open technical questions that could unlock machine unlearning's potential to assist compliance with the AIA — and other AI regulation like it.

Oral
Deep Legendre Transform

Aleksey Minabutdinov, Patrick Cheridito

展开摘要

We introduce a novel deep learning algorithm for computing convex conjugates of differentiable convex functions, a fundamental operation in convex analysis with various applications in different fields such as optimization, control theory, physics and economics. While traditional numerical methods suffer from the curse of dimensionality and become computationally intractable in high dimensions, more recent neural network-based approaches scale better, but have mostly been studied with the aim of solving optimal transport problems and require the solution of complicated optimization or max-min problems. Using an implicit Fenchel formulation of convex conjugation, our approach facilitates an efficient gradient-based framework for the minimization of approximation errors and, as a byproduct, also provides a posteriori error estimates for the approximation quality. Numerical experiments demonstrate our method's ability to deliver accurate results across different high-dimensional examples. Moreover, by employing symbolic regression with Kolmogorov–Arnold networks, it is able to obtain the exact convex conjugates of specific convex functions.

Poster
Rooms from Motion: Un-posed Indoor 3D Object Detection as Localization and Mapping

Justin Lazarow, Kai Kang, Afshin Dehghan

展开摘要

We revisit scene-level 3D object detection as the output of an object-centric framework capable of both localization and mapping using 3D oriented boxes as the underlying geometric primitive. While existing 3D object detection approaches operate globally and implicitly rely on the a priori existence of metric camera poses, our method, Rooms from Motion (RfM) operates on a collection of un-posed images. By replacing the standard 2D keypoint-based matcher of structure-from-motion with an object-centric matcher based on image-derived 3D boxes, we estimate metric camera poses, object tracks, and finally produce a global, semantic 3D object map. When a priori pose is available, we can significantly improve map quality through optimization of global 3D boxes against individual observations. RfM shows strong localization performance and subsequently produces maps of higher quality than leading point-based and multi-view 3D object detection methods on CA-1M and ScanNet++, despite these global methods relying on overparameterization through point clouds or dense volumes. Rooms from Motion achieves a general, object-centric representation which not only extends the work of Cubify Anything to full scenes but also allows for inherently sparse localization and parametric mapping proportional to the number of objects in a scene.

Poster
Improved Approximation Algorithms for Chromatic and Pseudometric-Weighted Correlation Clustering

Chenglin Fan, Dahoon Lee, Euiwoong Lee

展开摘要

Correlation Clustering (CC) is a foundational problem in unsupervised learning that models binary similarity relations using labeled graphs. While classical CC has been well studied, many real-world applications involve more nuanced relationships—either multi-class categorical interactions or varying confidence levels in edge labels. To address these, two natural generalizations have been proposed: Chromatic Correlation Clustering (CCC), which assigns semantic colors to edge labels, and pseudometric-weighted CC, which allows edge weights satisfying the triangle inequality. In this paper, we develop improved approximation algorithms for both settings. Our approach leverages LP-based pivoting techniques combined with problem-specific rounding functions. For the pseudometric-weighted correlation clustering problem, we present a tight $\frac{10}{3}$-approximation algorithm, matching the best possible bound achievable within the framework of standard LP relaxation combined with specialized rounding. For the Chromatic Correlation Clustering (CCC) problem, we improve the approximation ratio from the previous best of $2.5$ to $2.15$, and we establish a lower bound of $2.11$ within the same analytical framework, highlighting the near-optimality of our result.

Poster
PanTS: The Pancreatic Tumor Segmentation Dataset

Wenxuan Li, Xinze Zhou, Qi Chen, Tianyu Lin, Pedro R. A. S. Bassi, Xiaoxi Chen, Chen Ye, Zheren Zhu, Kai Ding, Heng Li, Kang Wang, Yang Yang, Yucheng Tang, Daguang Xu, Alan Yuille, Zongwei Zhou

展开摘要

PanTS is a large-scale, multi-institutional dataset curated to advance research in pancreatic CT analysis. It contains 36,390 CT scans from 145 medical centers, with expert-validated, voxel-wise annotations of over 993,000 anatomical structures, covering pancreatic tumors, pancreas head, body, and tail, and 24 surrounding anatomical structures such as vascular/skeletal structures and abdominal/thoracic organs. Each scan includes metadata such as patient age, sex, diagnosis, contrast phase, in-plane spacing, slice thickness, etc. AI models trained on PanTS achieve significantly better performance in pancreatic tumor detection, localization, and segmentation than those trained on existing public datasets. Our analysis indicates that these gains are directly attributable to the 16× larger-scale tumor annotations and indirectly supported by the 24 additional surrounding anatomical structures. As the largest and most comprehensive resource of its kind, PanTS offers a new benchmark for developing and evaluating AI models in pancreatic CT analysis.

Poster
E-MoFlow: Learning Egomotion and Optical Flow from Event Data via Implicit Regularization

Wenpu Li, Bangyan Liao, Yi Zhou, Qi Xu, Pian Wan, Peidong Liu

展开摘要

The estimation of optical flow and 6-DoF ego-motion—two fundamental tasks in 3-D vision—has typically been addressed independently. For neuromorphic vision (e.g., event cameras), however, the lack of robust data association makes solving the two problems separately an ill-posed challenge, especially in the absence of supervision via ground truth. Existing works mitigate this ill-posedness by either enforcing the smoothness of the flow field via an explicit variational regularizer or leveraging explicit structure-and-motion priors in the parametrization to improve event alignment. The former notably introduces bias in results and computational overhead, while the latter—which parametrizes the optical flow in terms of the scene depth and the camera motion—often converges to suboptimal local minima. To address these issues, we propose an unsupervised pipeline that jointly optimizes egomotion and flow via implicit spatial-temporal and geometric regularization. First, by modeling camera's egomotion as a continuous spline and optical flow as an implicit neural representation, our method inherently embeds spatial-temporal coherence through inductive biases. Second, we incorporate structure-and-motion priors through differential geometric constraints, bypassing explicit depth estimation while maintaining rigorous geometric consistency. As a result, our framework (called \textbf{E-MoFlow}) unifies egomotion and optical flow estimation via implicit regularization under a fully unsupervised paradigm. Experiments demonstrate its versatility to general 6-DoF motion scenarios, achieving state-of-the-art performance among unsupervised methods and competitive even with supervised approaches. Code will be released upon acceptance.

Poster
Reproducing Kernel Banach Space Models for Neural Networks with Application to Rademacher Complexity Analysis

Alistair Shilton, Sunil Gupta, Santu Rana, Svetha Venkatesh

展开摘要

This paper explores the use of Hermite transform based reproducing kernel Banach space methods to construct exact or un-approximated models of feedforward neural networks of arbitrary width, depth and topology, including ResNet and Transformers networks, assuming only a feedforward topology, finite energy activations and finite (spectral-) norm weights and biases. Using this model, two straightforward but surprisingly tight bounds on Rademacher complexity are derived, precisely (1) a general bound that is width-independent and scales exponentially with depth; and (2) a width- and depth-independent bound for networks with appropriately constrained (below threshold) weights and biases.

Poster