NeurIPS 2025 Papers

Modeling the transport dynamics of natural processes from population-level observations is a ubiquitous problem in the natural sciences. Such models rely on key assumptions about the underlying process in order to enable faithful learning of governing dynamics that mimic the actual system behavior. The de facto assumption in current approaches relies on the principle of least action that results in gradient field dynamics and leads to trajectories minimizing an energy functional between two probability measures. However, many real-world systems, such as cell cycles in single-cell RNA, are known to exhibit non-gradient, periodic behavior, which fundamentally cannot be captured by current state-of-the-art methods such as flow and bridge matching. In this paper, we introduce Curly Flow Matching (Curly-FM), a novel approach that is capable of learning non-gradient field dynamics by designing and solving a Schrödinger bridge problem with a non-zero drift reference process---in stark contrast to typical zero-drift reference processes---which is constructed using inferred velocities in addition to population snapshot data. We showcase Curly-FM by solving the trajectory inference problems for single cells, computational fluid dynamics, and ocean currents with approximate velocities. We demonstrate that Curly-FM can learn trajectories that better match both the reference process and population marginals. Curly-FM expands flow matching models beyond the modeling of populations and towards the modeling of known periodic behavior in physical systems. Our code repository is accessible at: https://github.com/kpetrovicc/curly-flow-matching.git

Uncertainty-aware meta-learning aims not only for rapid adaptation to new tasks but also for reliable uncertainty estimation under limited supervision. Neural Processes (NPs) offer a flexible solution by learning implicit stochastic processes directly from data, often using a global latent variable to capture functional uncertainty. However, we empirically find that variational posteriors for this global latent variable are frequently miscalibrated, limiting both predictive accuracy and the reliability of uncertainty estimates. To address this issue, we propose Test Time Scaling for Neural Processes (TTSNPs), a sequential inference framework based on Sequential Monte Carlo Sampler (SMCS) that refines latent samples at test time without modifying the pre-trained NP model. TTSNPs iteratively transform variational samples into better approximations of the true posterior using neural transition kernels, significantly improving both prediction quality and uncertainty calibration. This makes NPs more robust and trustworthy, extending applicability to various scenarios requiring well-calibrated uncertainty estimates.

Open-vocabulary 3D segmentation is a fundamental yet challenging task, requiring a mutual understanding of both segmentation and language. However, existing Gaussian-splatting-based methods rely either on a single 3D language field, leading to inferior segmentation, or on pre-computed class-agnostic segmentations, suffering from error accumulation. To address these limitations, we present COS3D, a new collaborative prompt-segmentation framework that contributes to effectively integrating complementary language and segmentation cues throughout its entire pipeline. We first introduce the new concept of collaborative field, comprising an instance field and a language field, as the cornerstone for collaboration. During training, to effectively construct the collaborative field, our key idea is to capture the intrinsic relationship between the instance field and language field, through a novel instance-to-language feature mapping and designing an efficient two-stage training strategy. During inference, to bridge distinct characteristics of the two fields, we further design an adaptive language-to-instance prompt refinement, promoting high-quality prompt-segmentation inference. Extensive experiments not only demonstrate COS3D's leading performance over existing methods on two widely-used benchmarks but also show its high potential to various applications,~\ie, novel image-based 3D segmentation, hierarchical segmentation, and robotics.

Counterfactual inference aims to estimate the counterfactual outcome at the individual level given knowledge of an observed treatment and the factual outcome, with broad applications in fields such as epidemiology, econometrics, and management science. Previous methods rely on a known structural causal model (SCM) or assume the homogeneity of the exogenous variable and strict monotonicity between the outcome and exogenous variable. In this paper, we propose a principled approach for identifying and estimating the counterfactual outcome. We first introduce a simple and intuitive rank preservation assumption to identify the counterfactual outcome without relying on a known structural causal model. Building on this, we propose a novel ideal loss for theoretically unbiased learning of the counterfactual outcome and further develop a kernel-based estimator for its empirical estimation. Our theoretical analysis shows that the rank preservation assumption is not stronger than the homogeneity and strict monotonicity assumptions, and shows that the proposed ideal loss is convex, and the proposed estimator is unbiased. Extensive semi-synthetic and real-world experiments are conducted to demonstrate the effectiveness of the proposed method.

A function \( f : \mathbb{F}_2^n \to \mathbb{R} \) is said to be \( s \)-Fourier sparse if its Fourier expansion contains at most \( s \) nonzero coefficients. In general, the existence of a sparse representation in the Fourier basis serves as a key enabler for the design of efficient learning algorithms. However, most existing techniques assume prior knowledge of the function’s Fourier sparsity, with algorithmic parameters carefully tuned to this value. This motivates the following decision problem: given \( s > 0 \), determine whether a function is \( s \)-Fourier sparse. In this work, we study the problem of tolerant testing of Fourier Sparsity for real-valued functions over \( \mathbb{F}_2^n \), accessed via oracle queries. The goal is to decide whether a given function is close to being \( s \)-Fourier sparse or far from every \( s \)-Fourier sparse function. Our algorithm provides an estimator that, given oracle access to the function, estimates its distance to the nearest \( s \)-Fourier sparse function with query complexity \( \widetilde{O}(s) \), for constant accuracy and confidence parameters. A key structural ingredient in our analysis is a new spectral concentration result for real-valued functions over \( \mathbb{F}_2^n \) when restricted to small-dimensional random affine subspaces. We further complement our upper bound with a matching lower bound of \( \Omega(s) \), establishing that our tester is optimal up to logarithmic factors. The lower bound exploits spectral properties of a class of cryptographically hard functions, namely, the Maiorana--McFarland family, in a novel way.

Adverse weather severely impairs real-world visual perception, while existing vision models trained on synthetic data with fixed parameters struggle to generalize to complex degradations. To address this, we first construct HFLS-Weather, a physics-driven, high-fidelity dataset that simulates diverse weather phenomena, and then design a dual-level reinforcement learning framework initialized with HFLS-Weather for cold-start training. Within this framework, at the local level, weather-specific restoration models are refined through perturbation-driven image quality optimization, enabling reward-based learning without paired supervision; at the global level, a meta-controller dynamically orchestrates model selection and execution order according to scene degradation. This framework enables continuous adaptation to real-world conditions and achieves state-of-the-art performance across a wide range of adverse weather scenarios. Code is available at https://github.com/xxclfy/AgentRL-Real-Weather

Low-rank training has emerged as a promising approach for reducing memory usage in training Large Language Models (LLMs). Previous methods either rely on decomposing weight matrices (e.g., LoRA), or seek to decompose gradient matrices (e.g., GaLore) to ensure reduced memory consumption. However, both of them constrain the training in a low-rank subspace, thus inevitably leading to sub-optimal performance. To resolve this, we propose a new plug-and-play training framework for LLMs called Fira, as the first attempt to consistently preserve the low-rank constraint for memory efficiency, while achieving full-rank training (i.e., training with full-rank gradients of full-rank weights) to avoid inferior outcomes. First, we observe an interesting phenomenon during LLM training: the scaling impact of adaptive optimizers (e.g., Adam) on the gradient norm remains similar from low-rank to full-rank training. In light of this, we propose a \textit{norm-based scaling} method, which utilizes the scaling impact of low-rank optimizers as substitutes for that of original full-rank optimizers to achieve this goal. Moreover, we find that there are potential loss spikes during training. To address this, we further put forward a norm-growth limiter to smooth the gradient. Extensive experiments on the pre-training and fine-tuning of LLMs show that Fira outperforms both LoRA and GaLore. Notably, for pre-training LLaMA 7B, our Fira uses $8\times$ smaller memory of optimizer states than Galore, yet outperforms it by a large margin.

Current 3D scene understanding methods are limited by offline-collected multi-view data or pre-constructed 3D geometry. In this paper, we present ExtractAnything3D (EA3D), a unified online framework for open-world 3D object extraction that enables simultaneous geometric reconstruction and holistic scene understanding. Given a streaming video, EA3D dynamically interprets each frame using vision-language and 2D vision foundation encoders to extract object-level knowledge. This knowledge is integrated and embedded into a Gaussian feature map via a feed-forward online update strategy. We then iteratively estimate visual odometry from historical frames and incrementally update online Gaussian features with new observations. A recurrent joint optimization module directs the model's attention to regions of interest, simultaneously enhancing both geometric reconstruction and semantic understanding. Extensive experiments across diverse benchmarks and tasks, including photo-realistic rendering, semantic and instance segmentation, 3D bounding box and semantic occupancy estimation, and 3D mesh generation, demonstrate the effectiveness of EA3D. Our method establishes a unified and efficient framework for joint online 3D reconstruction and holistic scene understanding, enabling a broad range of downstream tasks. The project webpage is available at \url{https://github.com/VDIGPKU/EA3D}.

Large language models have revolutionized natural language processing through self-supervised pretraining on massive datasets. Inspired by this success, researchers have explored adapting these methods to speech by discretizing continuous audio into tokens using neural audio codecs. However, existing approaches face limitations, including high bitrates, the loss of either semantic or acoustic information, and the reliance on multi-codebook designs when trying to capture both, which increases architectural complexity for downstream tasks. To address these challenges, we introduce FocalCodec, an efficient low-bitrate codec based on focal modulation that utilizes a single binary codebook to compress speech between 0.16 and 0.65 kbps. FocalCodec delivers competitive performance in speech resynthesis and voice conversion at lower bitrates than the current state-of-the-art, while effectively handling multilingual speech and noisy environments. Evaluation on downstream tasks shows that FocalCodec successfully preserves sufficient semantic and acoustic information, while also being well-suited for generative modeling. Demo samples and code are available at https://lucadellalib.github.io/focalcodec-web/.

Explaining complex machine learning models is a fundamental challenge when developing safe and trustworthy deep learning applications. To date, a broad selection of explainable AI (XAI) algorithms exist. One popular choice is SmoothGrad, which has been conceived to alleviate the well-known shattered gradient problem by smoothing gradients through convolution. SmoothGrad proposes to solve this high-dimensional convolution integral by sampling -- typically approximating the convolution with limited precision. Higher numbers of samples would amount to higher precision in approximating the convolution but also to higher computing demand, therefore in practice only few samples are used in SmoothGrad. In this work we propose a well founded novel method _SmoothDiff_ to resolve this tradeoff yielding a _speedup of over two orders of magnitude_. Specifically, _SmoothDiff_ leverages automatic differentiation to decompose the expected values of Jacobians across a network architecture, directly targeting only the non-linearities responsible for shattered gradients and making it easy to implement. We demonstrate SmoothDiff's excellent speed and performance in a number of experiments and benchmarks. Thus, SmoothDiff greatly enhances the usability (quality and speed) of SmoothGrad -- a popular workhorse of XAI.

Generalized Category Discovery (GCD) aims to classify test-time samples into either seen categories—available during training—or novel ones, without relying on label supervision. Most existing GCD methods assume simultaneous access to labeled and unlabeled data during training and arising from the same domain, limiting applicability in open-world scenarios involving distribution shifts. Domain Generalization with GCD (DG-GCD) lifts this constraint by requiring models to generalize to unseen domains containing novel categories, without accessing target-domain data during training. The only prior DG-GCD method, DG$^2$CD-Net~\cite{dg2net}, relies on episodic training with multiple synthetic domains and task vector aggregation, incurring high computational cost and error accumulation. We propose \textsc{HiDISC}, a hyperbolic representation learning framework that achieves domain and category-level generalization without episodic simulation. To expose the model to minimal but diverse domain variations, we augment the source domain using GPT-guided diffusion, avoiding overfitting while maintaining efficiency. To structure the representation space, we introduce \emph{Tangent CutMix}, a curvature-aware interpolation that synthesizes pseudo-novel samples in tangent space, preserving manifold consistency. A unified loss—combining penalized Busemann alignment, hybrid hyperbolic contrastive regularization, and adaptive outlier repulsion—facilitates compact, semantically structured embeddings. A learnable curvature parameter further adapts the geometry to dataset complexity. \textsc{HiDISC} achieves state-of-the-art results on PACS~\cite{pacs}, Office-Home~\cite{officehome}, and DomainNet~\cite{domainnet}, consistently outperforming the existing Euclidean and hyperbolic (DG)-GCD baselines.

Walking assistance in extreme or complex environments remains a significant challenge for people with blindness or low vision (BLV), largely due to the lack of a holistic scene understanding. Motivated by the real-world needs of the BLV community, we build mmWalk, a simulated multi-modal dataset that integrates multi-view sensor and accessibility-oriented features for outdoor safe navigation. Our dataset comprises $120$ manually controlled, scenario-categorized walking trajectories with $62k$ synchronized frames. It contains over $559k$ panoramic images across RGB, depth, and semantic modalities. Furthermore, to emphasize real-world relevance, each trajectory involves outdoor corner cases and accessibility-specific landmarks for BLV users. Additionally, we generate mmWalkVQA, a VQA benchmark with over $69k$ visual question-answer triplets across $9$ categories tailored for safe and informed walking assistance. We evaluate state-of-the-art Vision-Language Models (VLMs) using zero- and few-shot settings and found they struggle with our risk assessment and navigational tasks. We validate our mmWalk-finetuned model on real-world datasets and show the effectiveness of our dataset for advancing multi-modal walking assistance.

Over time, a growing wave of large language models from various series has been introduced to the community. Researchers are striving to maximize the performance of language models with constrained parameter sizes. However, from a microscopic perspective, there has been limited research on how to better store knowledge in model parameters, particularly within MLPs, to enable more effective utilization of this knowledge by the model. In this work, we analyze twenty publicly available open-source large language models to investigate the relationship between their strong performance and the way knowledge is stored in their corresponding MLP parameters. Our findings reveal that as language models become more advanced and demonstrate stronger knowledge capabilities, their parameters exhibit increased specialization. Specifically, parameters in the MLPs tend to be more focused on encoding similar types of knowledge. We experimentally validate that this specialized distribution of knowledge contributes to improving the efficiency of knowledge utilization in these models. Furthermore, by conducting causal training experiments, we confirm that this specialized knowledge distribution plays a critical role in improving the model's efficiency in leveraging stored knowledge.

Recent advances have significantly improved our understanding of the generalization performance of gradient descent (GD) methods in deep neural networks. A natural and fundamental question is whether GD can achieve generalization rates comparable to the minimax optimal rates established in the kernel setting. Existing results either yield suboptimal rates of $O(1/\sqrt{n})$, or focus on networks with smooth activation functions, incurring exponential dependence on network depth $L$. In this work, we establish optimal generalization rates for GD with deep ReLU networks by carefully trading off optimization and generalization errors, achieving only polynomial dependence on depth. Specifically, under the assumption that the data are NTK separable from the margin $\gamma$, we prove an excess risk rate of $\widetilde{O}(L^4 (1 + \gamma L^2) / (n \gamma^2))$, which aligns with the optimal SVM-type rate $\widetilde{O}(1 / (n \gamma^2))$ up to depth-dependent factors. A key technical contribution is our novel control of activation patterns near a reference model, enabling a sharper Rademacher complexity bound for deep ReLU networks trained with gradient descent.

This paper presents improved native unified multimodal models, \emph{i.e.,} Show-o2, that leverage autoregressive modeling and flow matching. Built upon a 3D causal variational autoencoder space, unified visual representations are constructed through a dual-path of spatial (-temporal) fusion, enabling scalability across image and video modalities while ensuring effective multimodal understanding and generation. Based on a language model, autoregressive modeling and flow matching are natively applied to the language head and flow head, respectively, to facilitate text token prediction and image/video generation. A two-stage training recipe is designed to effectively learn and scale to larger models. The resulting Show-o2 models demonstrate versatility in handling a wide range of multimodal understanding and generation tasks across diverse modalities, including text, images, and videos. Code and models are released at https://github.com/showlab/Show-o.

Panoramic video generation enables immersive 360$^\circ$ content creation, valuable in applications that demand scene-consistent world exploration. However, existing panoramic video generation models struggle to leverage pre-trained generative priors from conventional text-to-video models for high-quality and diverse panoramic videos generation, due to limited dataset scale and the gap in spatial feature representations. In this paper, we introduce PanoWan to effectively lift pre-trained text-to-video models to the panoramic domain, equipped with minimal modules. PanoWan employs latitude-aware sampling to avoid latitudinal distortion, while its rotated semantic denoising and padded pixel-wise decoding ensure seamless transitions at longitude boundaries. To provide sufficient panoramic videos for learning these lifted representations, we contribute PanoVid, a high-quality panoramic video dataset with captions and diverse scenarios. Consequently, PanoWan achieves state-of-the-art performance in panoramic video generation and demonstrates robustness for zero-shot downstream tasks.

Transformer-based language models exhibit complex behavior, but their internal computations remain poorly understood. Most mechanistic interpretability approaches treat components, such as attention heads and MLPs, as atomic units, ignoring potential functional substructure. We propose a finer-grained perspective that models components as superpositions of orthogonal singular directions. This perspective allows multiple independent computations to coexist within a single head or MLP, enabling selective intervention, attribution, and interpretation at a level of granularity beyond previous methods. We demonstrate this approach on the Indirect Object Identification (IOI) task, showing that well-known functional heads, like the “name mover,” encode overlapping subfunctions aligned with distinct singular directions. Nodes previously identified as part of circuits exhibit strong engagement along specific directions, supporting the view that meaningful computations are embedded in low-rank subspaces. While some functional axes remain difficult to interpret, our results reveal that transformer components are more distributed, compact, and compositional than assumed. This opens a new direction for fine-grained mechanistic interpretability and the study of model behavior.

Graph neural networks (GNNs) are frequently used for knowledge graph completion. Their black-box nature has motivated work that uses sound logical rules to explain predictions and characterise their expressivity. However, despite the prevalence of GNNs that use mean as an aggregation function, explainability and expressivity results are lacking for them. We consider GNNs with mean aggregation and non-negative weights (MAGNNs), proving the precise class of monotonic rules that can be sound for them, as well as providing a restricted fragment of first-order logic to explain any MAGNN prediction. Our experiments show that restricting mean-aggregation GNNs to have non-negative weights yields comparable or improved performance on standard inductive benchmarks, that sound rules are obtained in practice, that insightful explanations can be generated in practice, and that the sound rules can expose issues in the trained models.

Recent advancements have increasingly focused on leveraging large language models (LLMs) to construct autonomous agents for complex problem-solving tasks. However, existing approaches predominantly employ a single-agent framework to generate search branches and estimate rewards during Monte Carlo Tree Search (MCTS) planning. This single-agent paradigm inherently limits exploration capabilities, often resulting in insufficient diversity among generated branches and suboptimal planning performance. To overcome these limitations, we propose $\textbf{SY}$nergistic $\textbf{M}$ulti-agent $\textbf{P}$lanning with $\textbf{H}$eter$\textbf{O}$geneous la$\textbf{N}$gauge model assembl$\textbf{Y}$ ($\textbf{SYMPHONY}$), a novel multi-agent planning framework that integrates a pool of heterogeneous language model-based agents. By leveraging diverse reasoning patterns across agents, SYMPHONY enhances rollout diversity and facilitates more effective exploration. Empirical results across multiple benchmark tasks show that SYMPHONY achieves strong performance even when instantiated with open-source LLMs deployable on consumer-grade hardware. When enhanced with cloud-based LLMs accessible via API, SYMPHONY demonstrates further improvements, outperforming existing state-of-the-art baselines and underscoring the effectiveness of heterogeneous multi-agent coordination in planning tasks.