NeurIPS 2025 论文列表

Stochastic differential equations (SDEs) are well suited to modelling noisy and/or irregularly-sampled time series, which are omnipresent in finance, physics, and machine learning applications. Traditional approaches require costly simulation of numerical solvers when sampling between arbitrary time points. We introduce Neural Stochastic Flows (NSFs) and their latent dynamic versions, which learns (latent) SDE transition laws directly using conditional normalising flows, with architectural constraints that preserve properties inherited from stochastic flow. This enables sampling between arbitrary states in a single step, providing up to two orders of magnitude speedup for distant time points. Experiments on synthetic SDE simulations and real-world tracking and video data demonstrate that NSF maintains distributional accuracy comparable to numerical approaches while dramatically reducing computation for arbitrary time-point sampling, enabling applications where numerical solvers remain prohibitively expensive.

Training deep learning models for point cloud prediction tasks such as shape completion and generation depends critically on loss functions that measure discrepancies between predicted and ground-truth point sets. Commonly used functions such as Chamfer Distance (CD), HyperCD, InfoCD and Density-aware CD rely on nearest-neighbor assignments, which often induce many-to-one correspondences, leading to point congestion in dense regions and poor coverage in sparse regions. These losses also involve non-differentiable operations due to index selection, which may affect gradient-based optimization. Earth Mover Distance (EMD) enforces one-to-one correspondences and captures structural similarity more effectively, but its cubic computational complexity limits its practical use. We propose the Adaptive Probabilistic Matching Loss (APML), a fully differentiable approximation of one-to-one matching that leverages Sinkhorn iterations on a temperature-scaled similarity matrix derived from pairwise distances. We analytically compute the temperature to guarantee a minimum assignment probability, eliminating manual tuning. APML achieves near-quadratic runtime, comparable to Chamfer-based losses, and avoids non-differentiable operations. When integrated into state-of-the-art architectures (PoinTr, PCN, FoldingNet) on ShapeNet benchmarks and on a spatio‑temporal Transformer (CSI2PC) that generates 3‑D human point clouds from WiFi‑CSI measurements, APM loss yields faster convergence, superior spatial distribution, especially in low-density regions, and improved or on-par quantitative performance without additional hyperparameter search. The code is available at: https://github.com/apm-loss/apml.

Graph Neural Networks (GNNs) are powerful models for node classification, but their performance is heavily reliant on manually labeled data, which is often costly and results in insufficient labeling. Recent studies have shown that message-passing neural networks struggle to propagate information in low-degree nodes, negatively affecting overall performance. To address the information bias caused by degree imbalance, we propose a Learnable Enhancement and Label Selection Dynamic Graph Convolutional Network (L2DGCN). L2DGCN consists of a teacher model and a student model. The teacher model employs an improved label propagation mechanism that enables remote label information dissemination among all nodes. The student model introduces a dynamically learnable graph enhancement strategy, perturbing edges to facilitate information exchange among low-degree nodes. This approach maintains the global graph structure while learning graph representations. Additionally, we have designed a label selector to mitigate the impact of unreliable pseudo-labels on model learning. To validate the effectiveness of our proposed model with limited labeled data, we conducted comprehensive evaluations of semi-supervised node classification across various scenarios with a limited number of annotated nodes. Experimental results demonstrate that our data enhancement model significantly contributes to node classification tasks under sparse labeling conditions.

We study the problem of estimating the average treatment effect (ATE) in adaptive experiments where treatment can only be encouraged—rather than directly assigned—via a binary instrumental variable. Building on semiparametric efficiency theory, we derive the efficiency bound for ATE estimation under arbitrary, history-dependent instrument-assignment policies, and show it is minimized by a variance-aware allocation rule that balances outcome noise and compliance variability. Leveraging this insight, we introduce AMRIV—an **A**daptive, **M**ultiply-**R**obust estimator for **I**nstrumental-**V**ariable settings with variance-optimal assignment. AMRIV pairs (i) an online policy that adaptively approximates the optimal allocation with (ii) a sequential, influence-function–based estimator that attains the semiparametric efficiency bound while retaining multiply-robust consistency. We establish asymptotic normality, explicit convergence rates, and anytime-valid asymptotic confidence sequences that enable sequential inference. Finally, we demonstrate the practical effectiveness of our approach through empirical studies, showing that adaptive instrument assignment, when combined with the AMRIV estimator, yields improved efficiency and robustness compared to existing baselines.

The widespread adoption of Retrieval-Augmented Image Generation (RAIG) has raised significant concerns about the unauthorized use of private image datasets. While these systems have shown remarkable capabilities in enhancing generation quality through reference images, protecting visual datasets from unauthorized use in such systems remains a challenging problem. Traditional digital watermarking approaches face limitations in RAIG systems, as the complex feature extraction and recombination processes fail to preserve watermark signals during generation. To address these challenges, we propose ImageSentinel, a novel framework for protecting visual datasets in RAIG. Our framework synthesizes sentinel images that maintain visual consistency with the original dataset. These sentinels enable protection verification through randomly generated character sequences that serve as retrieval keys. To ensure seamless integration, we leverage vision-language models to generate the sentinel images. Experimental results demonstrate that ImageSentinel effectively detects unauthorized dataset usage while preserving generation quality for authorized applications.

Recent advances in graph neural network (GNN)-based neural operators have demonstrated significant progress in solving partial differential equations (PDEs) by effectively representing computational meshes. However, most existing approaches overlook the intrinsic physical and topological meaning of higher-order elements in the mesh, which are closely tied to differential forms. In this paper, we propose a higher-order GNN framework that incorporates higher-order interactions based on discrete and finite element exterior calculus. The time-independent boundary value problems (BVPs) in electromagnetism are instantiated to illustrate the proposed framework. It can be easily generalized to other PDEs that admit differential form formulations. Moreover, the novel physics-informed loss terms, integrated form estimators, and theoretical support are derived correspondingly. Experiments show that our proposed method outperforms the existing neural operators by large margins on BVPs in electromagnetism. Our code is available at https://github.com/Supradax/Higher-Order-Differential-Topology-aware-GNN.

Latent variables (LVs) play a crucial role in encoder-decoder models by enabling effective data compression, prediction, and generation. Although their theoretical properties, such as generalization, have been extensively studied in supervised learning, similar analyses for unsupervised models such as variational autoencoders (VAEs) remain insufficiently underexplored. In this work, we extend information-theoretic generalization analysis to vector-quantized (VQ) VAEs with discrete latent spaces, introducing a novel data-dependent prior to rigorously analyze the relationship among LVs, generalization, and data generation. We derive a novel generalization error bound of the reconstruction loss of VQ-VAEs, which depends solely on the complexity of LVs and the encoder, independent of the decoder. Additionally, we provide the upper bound of the 2-Wasserstein distance between the distributions of the true data and the generated data, explaining how the regularization of the LVs contributes to the data generation performance.

In recommendation systems, implicit feedback data can be automatically recorded and is more common than explicit feedback data. However, implicit feedback poses two challenges for relevance prediction, namely (a) positive-unlabeled (PU): negative feedback does not necessarily imply low relevance and (b) missing not at random (MNAR): items that are popular or frequently recommended tend to receive more clicks than other items, even if the user does not have a significant interest in them. Existing methods either overlook the MNAR issue or fail to account for the inherent mechanism of the PU issue. As a result, they may lead to inaccurate relevance predictions or inflated biases and variances. In this paper, we formulate the implicit feedback problem as a counterfactual estimation problem with missing treatment variables. Prediction of the relevance in implicit feedback is equivalent to answering the counterfactual question that ``whether a user would click a specific item if exposed to it?". To solve the counterfactual question, we propose the Counterfactual Implicit Feedback (Counter-IF) prediction approach that divides the user-item pairs into four disjoint groups, namely definitely positive (DP), highly exposed (HE), highly unexposed (HU), and unknown (UN) groups. Specifically, Counter-IF first performs missing treatment imputation with different confidence levels from raw implicit feedback, then estimates the counterfactual outcomes via causal representation learning that combines pointwise loss and pairwise loss based on the user-item pairs stratification. Theoretically the generalization bound of the learned model is derived. Extensive experiments are conducted on publicly available datasets to demonstrate the effectiveness of our approach. The code is available at https://github.com/zhouchuanCN/NeurIPS25-Counter-IF.

Recently, optimization on the Riemannian manifold have provided valuable insights to the optimization community. In this regard, extending these methods to to the Wasserstein space is of particular interest, since optimization on Wasserstein space is closely connected to practical sampling processes. Generally, the standard (continuous) optimization method on Wasserstein space is Riemannian gradient flow (i.e., Langevin dynamics when minimizing KL divergence). In this paper, we aim to enrich the family of continuous optimization methods in the Wasserstein space, by extending the gradient flow on it into the stochastic gradient descent (SGD) flow and stochastic variance reduction gradient (SVRG) flow. By leveraging the property of Wasserstein space, we construct stochastic differential equations (SDEs) to approximate the corresponding discrete Euclidean dynamics of the desired Riemannian stochastic methods. Then, we obtain the flows in Wasserstein space by Fokker-Planck equation. Finally, we establish convergence rates of the proposed stochastic flows, which align with those known in the Euclidean setting.

Recent advancements in large language models (LLMs) have significantly enhanced text generation capabilities, yet evaluating their performance in generative writing remains a challenge. Existing benchmarks primarily focus on generic text generation or limited in writing tasks, failing to capture the diverse requirements of high-quality written contents across various domains. To bridge this gap, we present WritingBench, a comprehensive benchmark designed to evaluate LLMs across 6 core writing domains and 100 subdomains. We further propose a query-dependent evaluation framework that empowers LLMs to dynamically generate instance-specific assessment criteria. This framework is complemented by a fine-tuned critic model for criteria-aware scoring, enabling evaluations in style, format and length. The framework's validity is further demonstrated by its data curation capability, which enables a 7B-parameter model to outperform the performance of GPT-4o in writing. We open-source the benchmark, along with evaluation tools and modular framework components, to advance the development of LLMs in writing.

The relative similarity testing aims to determine which of the distributions, $P$ or $Q$, is closer to an anchor distribution $U$. Existing kernel-based approaches often test the relative similarity with a fixed kernel in a manually specified alternative hypothesis, e.g., $Q$ is closer to $U$ than $P$. Although kernel selection is known to be important to kernel-based testing methods, the manually specified hypothesis poses a significant challenge for kernel selection in relative similarity testing: Once the hypothesis is specified first, we can always find a kernel such that the hypothesis is rejected. This challenge makes relative similarity testing ill-defined when we want to select a good kernel after the hypothesis is specified. In this paper, we cope with this challenge via learning a proper hypothesis and a kernel simultaneously, instead of learning a kernel after manually specifying the hypothesis. We propose an anchor-based maximum discrepancy (AMD), which defines the relative similarity as the maximum discrepancy between the distances of $(U, P)$ and $(U, Q)$ in a space of deep kernels. Based on AMD, our testing incorporates two phases. In Phase I, we estimate the AMD over the deep kernel space and infer the potential hypothesis. In Phase II, we assess the statistical significance of the potential hypothesis, where we propose a unified testing framework to derive thresholds for tests over different possible hypotheses from Phase I. Lastly, we validate our method theoretically and demonstrate its effectiveness via extensive experiments on benchmark datasets. Codes are publicly available at: https://github.com/zhijianzhouml/AMD.

Large language models (LLMs) deliver strong performance but are difficult to deploy due to high memory and compute costs. While pruning reduces these demands, most methods ignore activation sparsity observed at runtime. We reinterpret activation sparsity as dynamic structured weight sparsity and propose DuoGPT, a unified framework that constructs dual-sparse (spMspV) workloads by combining unstructured weight pruning with activation sparsity. To preserve accuracy, we extend the Optimal Brain Compression (OBC) framework with activation-aware calibration and introduce output residuals from the dense model as correction terms. We further optimize the solution for efficient GPU execution, enabling scalability to billion-parameter LLMs. Evaluations on LLaMA-2 and LLaMA-3 show that DuoGPT outperforms state-of-the-art structured pruning methods by up to 9.17\% accuracy at an iso-speedup of 1.39$\times$ compared to the baseline dense model. Code is available at GitHub.

The canonical approach in generative modeling is to split model fitting into two blocks: define first how to sample noise (e.g. Gaussian) and choose next what to do with it (e.g. using a single map or flows). We explore in this work an alternative route that ties sampling and mapping. We find inspiration in moment measures, a result that states that for any measure $\rho$, there exists a unique convex potential $u$ such that $\rho=\nabla u \sharp e^{-u}$. While this does seem to tie effectively sampling (from log-concave distribution $e^{-u}$) and action (pushing particles through $\nabla u$), we observe on simple examples (e.g., Gaussians or 1D distributions) that this choice is ill-suited for practical tasks. We study an alternative factorization, where $\rho$ is factorized as $\nabla w^* \sharp e^{-w}$, where $w^\ast$ is the convex conjugate of a convex potential $w$. We call this approach conjugate moment measures, and show far more intuitive results on these examples. Because $\nabla w^*$ is the Monge map between the log-concave distribution $e^{-w}$ and $\rho$, we rely on optimal transport solvers to propose an algorithm to recover $w$ from samples of $\rho$, and parameterize $w$ as an input-convex neural network. We also address the common sampling scenario in which the density of $\rho$ is known only up to a normalizing constant, and propose an algorithm to learn $w$ in this setting.

Motion simulation, prediction and planning are foundational tasks in autonomous driving, each essential for modeling and reasoning about dynamic traffic scenarios. While often addressed in isolation due to their differing objectives, such as generating diverse motion states or estimating optimal trajectories, these tasks inherently depend on shared capabilities: understanding multi-agent interactions, modeling motion behaviors, and reasoning over temporal and spatial dynamics. Despite this underlying commonality, existing approaches typically adopt specialized model designs, which hinders cross-task generalization and system scalability. More critically, this separation overlooks the potential mutual benefits among tasks. Motivated by these observations, we propose **UniMotion**, a unified motion framework that captures shared structures across motion tasks while accommodating their individual requirements. Built on a decoder-only Transformer architecture, UniMotion employs dedicated interaction modes and tailored training strategies to simultaneously support these motion tasks. This unified design not only enables joint optimization and representation sharing but also allows for targeted fine-tuning to specialize in individual tasks when needed. Extensive experiments on the Waymo Open Motion Dataset (WOMD) demonstrate that joint training leads to robust generalization and effective task integration. With further fine-tuning, UniMotion achieves state-of-the-art performance across a range of motion tasks, establishing it as a versatile and scalable solution for autonomous driving.

When applicants get rejected by a high-stakes algorithmic decision system, recourse explanations provide actionable suggestions for applicants on how to change their input features to get a positive evaluation. A crucial yet overlooked phenomenon is that recourse explanations are *performative*: When many applicants act according to their recommendations, their collective behavior may shift the data distribution and, once the model is refitted, also the decision boundary. Consequently, the recourse algorithm may render its own recommendations *invalid*, such that applicants who make the effort of implementing their recommendations may be rejected again when they reapply. In this work, we formally characterize the conditions under which recourse explanations remain valid under their own performative effects. In particular, we prove that recourse actions may become invalid if they are influenced by or if they intervene on non-causal variables. Based on this analysis, we caution against the use of standard counterfactual explanations and causal recourse methods, and instead advocate for recourse methods that recommend actions exclusively on causal variables.

Simulation-based inference (SBI) of latent parameters in physical systems is often hindered by model misspecification--the mismatch between simulated and real-world observations caused by inherent modeling simplifications. RoPE, a recent SBI approach, addresses this challenge through a two-stage domain transfer process that combines semi-supervised calibration with optimal transport (OT)-based distribution alignment. However, RoPE operates in a fully transductive setting, requiring access to a batch of test samples at inference time, which limits scalability and generalization. We propose a fully inductive and amortized SBI framework that integrates calibration and distributional alignment into a single, end-to-end trainable model. Our method leverages mini-batch OT with a closed-form coupling to align real and simulated observations that correspond to the same latent parameters, using both paired calibration data and unpaired samples. A conditional normalizing flow is then trained to approximate the OT-induced posterior, enabling efficient inference without simulation access at test time. Across a range of synthetic and real-world benchmarks--including complex medical biomarker estimation--our approach matches or exceeds the performance of RoPE, while offering improved scalability and applicability in challenging, misspecified environments.

Pseudo-labeling is a commonly used paradigm in semi-supervised learning, yet its application to semi-supervised regression (SSR) remains relatively under-explored. Unlike classification, where pseudo-labels are discrete and confidence-based filtering is effective, SSR involves continuous outputs with heteroscedastic noise, making it challenging to assess pseudo-label reliability. As a result, naive pseudo-labeling can lead to error accumulation and overfitting to incorrect labels. To address this, we propose an uncertainty-aware pseudo-labeling framework that dynamically adjusts pseudo-label influence from a bi-level optimization perspective. By jointly minimizing empirical risk over all data and optimizing uncertainty estimates to enhance generalization on labeled data, our method effectively mitigates the impact of unreliable pseudo-labels. We provide theoretical insights and extensive experiments to validate our approach across various benchmark SSR datasets, and the results demonstrate superior robustness and performance compared to existing methods.

Large language models (LLMs) are increasingly fine-tuned on domain-specific datasets to support applications in fields such as healthcare, finance, and law. These fine-tuning datasets often have sensitive and confidential dataset-level properties — such as patient demographics or disease prevalence—that are not intended to be revealed. While prior work has studied property inference attacks on discriminative models (e.g., image classification models) and generative models (e.g., GANs for image data), it remains unclear if such attacks transfer to LLMs. In this work, we introduce PropInfer, a benchmark task for evaluating property inference in LLMs under two fine-tuning paradigms: question-answering and chat-completion. Built on the ChatDoctor dataset, our benchmark includes a range of property types and task configurations. We further propose two tailored attacks: a prompt-based generation attack and a shadow-model attack leveraging word frequency signals. Empirical evaluations across multiple pretrained LLMs show the success of our attacks, revealing a previously unrecognized vulnerability in LLMs.

Capturing diversity is crucial in conditional and prompt-based image generation, particularly when conditions contain uncertainty that can lead to multiple plausible outputs. To generate diverse images reflecting this diversity, traditional methods often modify random seeds, making it difficult to discern meaningful differences between samples, or diversify the input prompt, which is limited in verbally interpretable diversity. We propose \modelnamenospace, a novel conditional image generation framework, applicable to any pretrained conditional generative model, that addresses inherent condition/prompt uncertainty and generates diverse plausible images. \modelname is based on a simple yet effective idea: decomposing the input condition into diverse latent representations, each capturing an aspect of the uncertainty and generating a distinct image. First, we integrate a latent graph, parameterized by Generative Flow Networks (GFlowNets), into the prompt representation computation. Second, leveraging GFlowNets' advanced graph sampling capabilities to capture uncertainty and output diverse trajectories over the graph, we produce multiple trajectories that collectively represent the input condition, leading to diverse condition representations and corresponding output images. Evaluations on natural image and medical image datasets demonstrate \modelnamenospace’s improvement in both diversity and fidelity across image synthesis, image generation, and counterfactual generation tasks.