NeurIPS 2025 Papers

Neural Radiance Fields (NeRFs) have been remarkably successful at synthesizing novel views of 3D scenes by optimizing a volumetric scene function. This scene function models how optical rays bring color information from a 3D object to the camera pixels. Radio frequency (RF) or audio signals can also be viewed as a vehicle for delivering information about the environment to a sensor. However, unlike camera pixels, an RF/audio sensor receives a mixture of signals that contain many environmental reflections (also called “multipath”). Is it still possible to infer the environment using such multipath signals? We show that with redesign, NeRFs can be taught to learn from multipath signals, and thereby “see” the environment. As a grounding application, we aim to infer the indoor floorplan of a home from sparse WiFi measurements made at multiple locations inside the home. Although a difficult inverse problem, our implicitly learnt floorplans look promising, and enables forward applications, such as indoor signal prediction and basic ray tracing.

Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemical datasets are often inaccessible to the machine learning community as they tend to require cleaning, thorough understanding of the chemistry, or are simply not available. In this paper, we introduce a novel dataset for yield prediction, providing the first-ever transient flow dataset for machine learning benchmarking, covering over 1200 process conditions. While previous datasets focus on discrete parameters, our experimental set-up allow us to sample a large number of continuous process conditions, generating new challenges for machine learning models. We focus on solvent selection, a task that is particularly difficult to model theoretically and therefore ripe for machine learning applications. We showcase benchmarking for regression algorithms, transfer-learning approaches, feature engineering, and active learning, with important applications towards solvent replacement and sustainable manufacturing.

Neural processes (NPs) are probabilistic meta-learning models that map sets of observations to posterior predictive distributions, enabling inference at arbitrary domain points. Their capacity to handle variable-sized collections of unstructured observations, combined with simple maximum-likelihood training and uncertainty-aware predictions, makes them well-suited for modeling data over continuous domains. Since their introduction, several variants have been proposed. Early approaches typically represented observed data using finite-dimensional summary embeddings obtained through aggregation schemes such as mean pooling. However, this strategy fundamentally mismatches the infinite-dimensional nature of the generative processes that NPs aim to capture. Convolutional conditional neural processes (ConvCNPs) address this limitation by constructing infinite-dimensional functional embeddings processed through convolutional neural networks (CNNs) to enforce translation equivariance. Yet CNNs with local spatial kernels struggle to capture long-range dependencies without resorting to large kernels, which impose significant computational costs. To overcome this limitation, we propose the Spectral ConvCNP (SConvCNP), which performs global convolution in the frequency domain. Inspired by Fourier neural operators (FNOs) for learning solution operators of partial differential equations (PDEs), our approach directly parameterizes convolution kernels in the frequency domain, leveraging the relatively compact yet global Fourier representation of many natural signals. We validate the effectiveness of SConvCNP on both synthetic and real-world datasets, demonstrating how ideas from operator learning can advance the capabilities of NPs.

While foundation models have shown promise across a variety of fields, astronomy lacks a unified framework for joint modeling across its highly diverse data modalities. In this paper, we present AION-1, the first large-scale multimodal foundation family of models for astronomy. AION-1 enables arbitrary transformations between heterogeneous data types using a two-stage architecture: modality-specific tokenization followed by transformer-based masked modeling of cross-modal token sequences. Trained on over 200M astronomical objects, AION-1 demonstrates strong performance across regression, classification, generation, and object retrieval tasks. Beyond astronomy, AION-1 provides a scalable blueprint for multimodal scientific foundation models that can seamlessly integrate heterogeneous combinations of real-world observations. Our model release is entirely open source, including the dataset, training script, and weights.

Pre-trained encoders for offline feature extraction followed by multiple instance learning (MIL) aggregators have become the dominant paradigm in computational pathology (CPath), benefiting cancer diagnosis and prognosis. However, performance limitations arise from the absence of encoder fine-tuning for downstream tasks and disjoint optimization with MIL. While slide-level supervised end-to-end (E2E) learning is an intuitive solution to this issue, it faces challenges such as high computational demands and suboptimal results. These limitations motivate us to revisit E2E learning. We argue that prior work neglects inherent E2E optimization challenges, leading to performance disparities compared to traditional two-stage methods. In this paper, we pioneer the elucidation of optimization challenge caused by sparse-attention MIL and propose a novel MIL called ABMILX. ABMILX mitigates this problem through global correlation-based attention refinement and multi-head mechanisms. With the efficient multi-scale random patch sampling strategy, an E2E trained ResNet with ABMILX surpasses SOTA foundation models under the two-stage paradigm across multiple challenging benchmarks, while remaining computationally efficient ($<$ 10 RTX3090 GPU hours). We demonstrate the potential of E2E learning in CPath and calls for greater research focus in this area. The code is https://github.com/DearCaat/E2E-WSI-ABMILX.

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

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

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

Global biodiversity is declining at an unprecedented rate, yet little information is known about most species and how their populations are changing. Indeed, some 90% Earth’s species are estimated to be completely unknown. Machine learning has recently emerged as a promising tool to facilitate long-term, large-scale biodiversity monitoring, including algorithms for fine-grained classification of species from images. However, such algorithms typically are not designed to detect examples from categories unseen during training – the problem of open-set recognition (OSR) – limiting their applicability for highly diverse, poorly studied taxa such as insects. To address this gap, we introduce Open-Insect, a large-scale, fine-grained dataset to evaluate unknown species detection across different geographic regions with varying difficulty. We benchmark 38 OSR algorithms across three categories: post-hoc, training-time regularization, and training with auxiliary data, finding that simple post-hoc approaches remain a strong baseline. We also demonstrate how to leverage auxiliary data to improve species discovery in regions with limited data. Our results provide timely insights to guide the development of computer vision methods for biodiversity monitoring and species discovery.

Estimating heterogeneous treatment effects (HTEs) of continuous-valued interventions on survival, that is, time-to-event (TTE) outcomes, is crucial in various fields, notably in clinical decision-making and in driving the advancement of next-generation clinical trials. However, while HTE estimation for continuous-valued (i.e., dosage-dependent) interventions and for TTE outcomes have been separately explored, their combined application remains largely overlooked in the machine learning literature. We propose DoseSurv, a varying-coefficient network designed to estimate HTEs for different dosage-dependent and non-dosage treatment options from TTE data. DoseSurv uses radial basis functions to model continuity in dose-response relationships and learns balanced representations to address covariate shifts arising in HTE estimation from observational TTE data. We present experiments across various treatment scenarios on both simulated and real-world data, demonstrating DoseSurv's superior performance over existing baseline models.

Real-world image super-resolution (RealSR) aims to enhance the visual quality of in-the-wild images, such as those captured by mobile phones. While existing methods leveraging large generative models demonstrate impressive results, the high computational cost and latency make them impractical for edge deployment. In this paper, we introduce PocketSR, an ultra-lightweight, single-step model that brings generative modeling capabilities to RealSR while maintaining high fidelity. To achieve this, we design LiteED, a highly efficient alternative to the original computationally intensive VAE in SD, reducing parameters by 97.5\% while preserving high-quality encoding and decoding. Additionally, we propose online annealing pruning for the U-Net, which progressively shifts generative priors from heavy modules to lightweight counterparts, ensuring effective knowledge transfer and further optimizing efficiency. To mitigate the loss of prior knowledge during pruning, we incorporate a multi-layer feature distillation loss. Through an in-depth analysis of each design component, we provide valuable insights for future research. PocketSR, with a model size of 146M parameters, processes 4K images in just 0.8 seconds, achieving a remarkable speedup over previous methods. Notably, it delivers performance on par with state-of-the-art single-step and even multi-step RealSR models, making it a highly practical solution for edge-device applications.

Enzyme-catalyzed protein cleavage is essential for many biological functions. Accurate prediction of cleavage sites can facilitate various applications such as drug development, enzyme design, and a deeper understanding of biological mechanisms. However, most existing models are restricted to an individual enzyme, which neglects shared knowledge of enzymes and fails to generalize to novel enzymes. Thus, we introduce a unified protein cleavage site predictor named UniZyme, which can generalize across diverse enzymes. To enhance the enzyme encoding for the protein cleavage site prediction, UniZyme employs a novel biochemically-informed model architecture along with active-site knowledge of proteolytic enzymes. Extensive experiments demonstrate that UniZyme achieves high accuracy in predicting cleavage sites across a range of proteolytic enzymes, including unseen enzymes. The code is available in https://github.com/Ao-LiChen/UniZyme

In this manuscript, we analyze a solvable model of flow or diffusion-based generative model. We consider the problem of learning a model parametrized by a two-layer auto-encoder, trained with online stochastic gradient descent, on a high-dimensional target density with an underlying low-dimensional manifold structure. We derive a tight asymptotic characterization of low-dimensional projections of the distribution of samples generated by the learned model, ascertaining in particular its dependence on the number of training samples. Building on this analysis, we discuss how mode collapse can arise, and lead to model collapse when the generative model is re-trained on generated synthetic data.

Natural gradient methods significantly accelerate the training of Physics-Informed Neural Networks (PINNs), but are often prohibitively costly. We introduce a suite of techniques to improve the accuracy and efficiency of energy natural gradient descent (ENGD) for PINNs. First, we leverage the Woodbury formula to dramatically reduce the computational complexity of ENGD. Second, we adapt the Subsampled Projected-Increment Natural Gradient Descent algorithm from the variational Monte Carlo literature to accelerate the convergence. Third, we explore the use of randomized algorithms to further reduce the computational cost in the case of large batch sizes. We find that randomization accelerates progress in the early stages of training for low-dimensional problems, and we identify key barriers to attaining acceleration in other scenarios. Our numerical experiments demonstrate that our methods outperform previous approaches, achieving the same $L^2$ error as the original ENGD up to $75\times$ faster.

Legal Judgment Prediction (LJP) seeks to predict case outcomes given available case information, offering practical value for both legal professionals and laypersons. However, a key limitation of existing LJP models is their limited adaptability to statutory revisions. Current SOTA models are neither designed nor evaluated for statutory revisions. To bridge this gap, we introduce LawShift, a benchmark dataset for evaluating LJP under statutory revisions. Covering 31 fine-grained change types, LawShift enables systematic assessment of SOTA models' ability to handle legal changes. We evaluate five representative SOTA models on LawShift, uncovering significant limitations in their response to legal updates. Our findings show that model architecture plays a critical role in adaptability, offering actionable insights and guiding future research on LJP in dynamic legal contexts.

Tropical Cyclone (TC) estimation aims to accurately estimate various TC attributes in real time. However, distribution shifts arising from the complex and dynamic nature of TC environmental fields, such as varying geographical conditions and seasonal changes, present significant challenges to reliable estimation. Most existing methods rely on multi-modal fusion for feature extraction but overlook the intrinsic distribution of feature representations, leading to poor generalization under out-of-distribution (OOD) scenarios. To address this, we propose an effective Identity Distribution-Oriented Physical Invariant Learning framework (IDOL), which imposes identity-oriented constraints to regulate the feature space under the guidance of prior physical knowledge, thereby dealing distribution variability with physical invariance. Specifically, the proposed IDOL employs the wind field model and dark correlation knowledge of TC to model task-shared and task-specific identity tokens. These tokens capture task dependencies and intrinsic physical invariances of TC, enabling robust estimation of TC wind speed, pressure, inner-core, and outer-core size under distribution shifts. Extensive experiments conducted on multiple datasets and tasks demonstrate the outperformance of the proposed IDOL, verifying that imposing identity-oriented constraints based on prior physical knowledge can effectively mitigates diverse distribution shifts in TC estimation.

Radar-based indoor 3D human pose estimation typically relied on fine-grained 3D keypoint labels, which are costly to obtain especially in complex indoor settings involving clutter, occlusions, or multiple people. In this paper, we propose \textbf{RAPTR} (RAdar Pose esTimation using tRansformer) under weak supervision, using only 3D BBox and 2D keypoint labels which are considerably easier and more scalable to collect. Our RAPTR is characterized by a two-stage pose decoder architecture with a pseudo-3D deformable attention to enhance (pose/joint) queries with multi-view radar features: a pose decoder estimates initial 3D poses with a 3D template loss designed to utilize the 3D BBox labels and mitigate depth ambiguities; and a joint decoder refines the initial poses with 2D keypoint labels and a 3D gravity loss. Evaluated on two indoor radar datasets, RAPTR outperforms existing methods, reducing joint position error by $34.3$\% on HIBER and $76.9$\% on MMVR. Our implementation is available at \url{https://github.com/merlresearch/radar-pose-transformer}.

A longstanding goal in computer vision is to model motions from videos, while the representations behind motions, i.e. the invisible physical interactions that cause objects to deform and move, remain largely unexplored. In this paper, we study how to recover the invisible forces from visual observations, e.g., estimating the wind field by observing a leaf falling to the ground. Our key innovation is an end-to-end differentiable inverse graphics framework, which jointly models object geometry, physical properties, and interactions directly from videos. Through backpropagation, our approach enables the recovery of force representations from object motions. We validate our method on both synthetic and real-world scenarios, and the results demonstrate its ability to infer plausible force fields from videos. Furthermore, we show the potential applications of our approach, including physics-based video generation and editing. We hope our approach sheds light on understanding and modeling the physical process behind pixels, bridging the gap between vision and physics. Please check more video results in our project page https://chaoren2357.github.io/seeingthewind/ .

We address the problem of looking into the water from the air, where we seek to remove image distortions caused by refractions at the water surface. Our approach is based on modeling the different water surface structures at various points in time, assuming the underlying image is constant. To this end, we propose a model that consists of two neural-field networks. The first network predicts the height of the water surface at each spatial position and time, and the second network predicts the image color at each position. Using both networks, we reconstruct the observed sequence of images and can therefore use unsupervised training. We show that using implicit neural representations with periodic activation functions (SIREN) leads to effective modeling of the surface height spatio-temporal signal and its derivative, as required for image reconstruction. Using both simulated and real data we show that our method outperforms the latest unsupervised image restoration approach. In addition, it provides an estimate of the water surface.