NeurIPS 2025 论文列表

Pre-training has proven effective in addressing data scarcity and performance limitations in solving PDE problems with neural operators. However, challenges remain due to the heterogeneity of PDE datasets in equation types, which leads to high errors in mixed training. Additionally, dense pre-training models that scale parameters by increasing network width or depth incur significant inference costs. To tackle these challenges, we propose a novel **M**ixture-**o**f-**E**xperts **P**re-training **O**perator **T**ransformer (**MoE-POT**), a sparse-activated architecture that scales parameters efficiently while controlling inference costs. Specifically, our model adopts a layer-wise router-gating network to dynamically select 4 routed experts from 16 expert networks during inference, enabling the model to focus on equation-specific features. Meanwhile, we also integrate 2 shared experts, aiming to capture common properties of PDE and reduce redundancy among routed experts. The final output is computed as the weighted average of the results from all activated experts. We pre-train models with parameters from 30M to 0.5B on 6 public PDE datasets. Our model with 90M activated parameters achieves up to a 40\% reduction in zero-shot error compared with existing models with 120M activated parameters. Additionally, we conduct interpretability analysis, showing that dataset types can be inferred from router-gating network decisions, which validates the rationality and effectiveness of the MoE architecture.

Many machine learning tasks can benefit from external knowledge. Large knowledge graphs store such knowledge, and embedding methods can be used to distill it into ready-to-use vector representations for downstream applications. For this purpose, current models have however two limitations: they are primarily optimized for link prediction, via local contrastive learning, and their application to the largest graphs requires significant engineering effort due to GPU memory limits. To address these, we introduce SEPAL: a Scalable Embedding Propagation ALgorithm for large knowledge graphs designed to produce high-quality embeddings for downstream tasks at scale. The key idea of SEPAL is to ensure global embedding consistency by optimizing embeddings only on a small core of entities, and then propagating them to the rest of the graph with message passing. We evaluate SEPAL on 7 large-scale knowledge graphs and 46 downstream machine learning tasks. Our results show that SEPAL significantly outperforms previous methods on downstream tasks. In addition, SEPAL scales up its base embedding model, enabling fitting huge knowledge graphs on commodity hardware. Our code is available at: <https://github.com/flefebv/sepal.git>.

The parameter size of modern large language models (LLMs) can be scaled up to the trillion-level via the sparsely-activated Mixture-of-Experts (MoE) technique to avoid excessive increase of the computational costs. To further improve training efficiency, pipelining computation and communication has become a promising solution for distributed MoE training. However, existing work primarily focuses on scheduling tasks within the MoE layer, such as expert computing and all-to-all (A2A) communication, while neglecting other key operations including multi-head attention (MHA) computing, gating, and all-reduce communication. In this paper, we propose FlowMoE, a scalable framework for scheduling multi-type task pipelines. First, FlowMoE constructs a unified pipeline to consistently scheduling MHA computing, gating, expert computing, and A2A communication. Second, FlowMoE introduces a tensor chunk-based priority scheduling mechanism to overlap the all-reduce communication with all computing tasks. We implement FlowMoE as an adaptive and generic framework atop PyTorch. Extensive experiments with 675 typical MoE layers and four real-world MoE models across two GPU clusters demonstrate that our proposed FlowMoE framework outperforms state-of-the-art MoE training frameworks, reducing training time by14%-57%, energy consumption by 10%-39%, and memory usage by 7%-32%. FlowMoE’s code is anonymously available at https://anonymous.4open.science/r/FlowMoE.

Recurrent neural networks (RNNs) trained on neuroscience-inspired tasks offer powerful models of brain computation. However, typical training paradigms rely on open-loop, supervised settings, whereas real-world learning unfolds in closed-loop environments. Here, we develop a mathematical theory describing the learning dynamics of linear RNNs trained in closed-loop contexts. We first demonstrate that two otherwise identical RNNs, trained in either closed- or open-loop modes, follow markedly different learning trajectories. To probe this divergence, we analytically characterize the closed-loop case, revealing distinct stages aligned with the evolution of the training loss. Specifically, we show that the learning dynamics of closed-loop RNNs, in contrast to open-loop ones, are governed by an interplay between two competing objectives: short-term policy improvement and long-term stability of the agent-environment interaction. Finally, we apply our framework to a realistic motor control task, highlighting its broader applicability. Taken together, our results underscore the importance of modeling closed-loop dynamics in a biologically plausible setting.

Self-play fine-tuning has demonstrated promising abilities in adapting large language models (LLMs) to downstream tasks with limited real-world data. The basic principle is to iteratively refine the model with real samples and synthetic ones generated from itself. However, the existing methods primarily focus on the relative gaps between the rewards for two types of data, neglecting their absolute values. Through theoretical analysis, we identify that the gap-based methods suffer from unstable evolution, due to the potentially degenerated objectives. To address this limitation, we introduce a novel self-play fine-tuning method, namely \underline{S}elf-\underline{P}l\underline{A}y via Noise \underline{C}ontrastive \underline{E}stimation (SPACE), which leverages noise contrastive estimation to capture the real-world data distribution. Specifically, SPACE treats synthetic samples as auxiliary components, and discriminates them from the real ones in a binary classification manner. As a result, SPACE independently optimizes the absolute reward values for each type of data, ensuring a consistently meaningful objective and thereby avoiding the instability issue. Theoretically, we show that the optimal solution of the objective in SPACE aligns with the underlying distribution of real-world data, and SPACE guarantees a provably stable convergence to the optimal distribution. Empirically, we show that SPACE significantly improves the performance of LLMs over various tasks, and outperforms supervised fine-tuning that employs much more real-world samples. Compared to gap-based self-play fine-tuning methods, SPACE exhibits remarkable superiority and stable evolution.

Matrix factorization is a fundamental method in statistics and machine learning for inferring and summarizing structure in multivariate data. Modern data sets often come with "side information" of various forms (images, text, graphs) that can be leveraged to improve estimation of the underlying structure. However, existing methods that leverage side information are limited in the types of data they can incorporate, and they assume specific parametric models. Here, we introduce a novel method for this problem, *covariate-moderated empirical Bayes matrix factorization* (cEBMF). cEBMF is a modular framework that accepts any type of side information that is processable by a probabilistic model or a neural network. The cEBMF framework can accommodate different assumptions and constraints on the factors through the use of different priors, and it adapts these priors to the data. We demonstrate the benefits of cEBMF in simulations and in analyses of spatial transcriptomics and collaborative filtering data. A PyTorch-based implementation of cEBMF with flexible priors is available at https://github.com/william-denault/cebmf_torch.

We present in this paper a novel post-training quantization (PTQ) method, dubbed AccuQuant, for diffusion models. We show analytically and empirically that quantization errors for diffusion models are accumulated over denoising steps in a sampling process. To alleviate the error accumulation problem, AccuQuant minimizes the discrepancies between outputs of a full-precision diffusion model and its quantized version within a couple of denoising steps. That is, it simulates multiple denoising steps of a diffusion sampling process explicitly for quantization, accounting the accumulated errors over multiple denoising steps, which is in contrast to previous approaches to imitating a training process of diffusion models, namely, minimizing the discrepancies independently for each step. We also present an efficient implementation technique for AccuQuant, together with a novel objective, which reduces a memory complexity significantly from $\mathcal{O}(n)$ to $\mathcal{O}(1)$, where $n$ is the number of denoising steps. We demonstrate the efficacy and efficiency of AccuQuant across various tasks and diffusion models on standard benchmarks.

Multi-modal learning has emerged as a key technique for improving performance across domains such as autonomous driving, robotics, and reasoning. However, in certain scenarios, particularly in resource-constrained environments, some modalities available during training may be absent during inference. While existing frameworks effectively utilize multiple data sources during training and enable inference with reduced modalities, they are primarily designed for single-agent settings. This poses a critical limitation in dynamic environments such as connected autonomous vehicles (CAV), where incomplete data coverage can lead to decision-making blind spots. Conversely, some works explore multi-agent collaboration but without addressing missing modality at test time. To overcome these limitations, we propose Collaborative Auxiliary Modality Learning (CAML), a novel multi-modal multi-agent framework that enables agents to collaborate and share multi-modal data during training, while allowing inference with reduced modalities during testing. Experimental results in collaborative decision-making for CAV in accident-prone scenarios demonstrate that CAML achieves up to a 58.1% improvement in accident detection. Additionally, we validate CAML on real-world aerial-ground robot data for collaborative semantic segmentation, achieving up to a 10.6% improvement in mIoU.

Recent years have witnessed a surge of interest in solving combinatorial optimization problems (COPs) using machine learning techniques. Motivated by this trend, we propose a learning-augmented exact approach for tackling an NP-hard COP, the Orienteering Problem with Time Windows, which aims to maximize the total score collected by visiting a subset of vertices in a graph within their time windows. Traditional exact algorithms rely heavily on domain expertise and meticulous design, making it hard to achieve further improvements. By leveraging deep learning models to learn effective relaxations of problem restrictions from data, our approach enables significant performance gains in an exact dynamic programming algorithm. We propose a novel graph convolutional network that predicts the directed edges defining the relaxation. The network is trained in a supervised manner, using optimal solutions as high-quality labels. Experimental results demonstrate that the proposed learning-augmented algorithm outperforms the state-of-the-art exact algorithm, achieving a 38% speedup on Solomon’s benchmark and more than a sevenfold improvement on the more challenging Cordeau’s benchmark.

Classifier-free guidance (CFG) has become an essential component of modern diffusion models to enhance both generation quality and alignment with input conditions. However, CFG requires specific training procedures and is limited to conditional generation. To address these limitations, we propose Token Perturbation Guidance (TPG), a novel method that applies perturbation matrices directly to intermediate token representations within the diffusion network. TPG employs a norm-preserving shuffling operation to provide effective and stable guidance signals that improve generation quality without architectural changes. As a result, TPG is training-free and agnostic to input conditions, making it readily applicable to both conditional and unconditional generation. We also analyze the guidance term provided by TPG and show that its effect on sampling more closely resembles CFG compared to existing training-free guidance techniques. We extensively evaluate TPG on SDXL and Stable Diffusion 2.1, demonstrating nearly a 2x improvement in FID for unconditional generation over the SDXL baseline and showing that TPG closely matches CFG in prompt alignment. Thus, TPG represents a general, condition-agnostic guidance method that extends CFG-like benefits to a broader class of diffusion models.

This position paper argues for two claims regarding AI testing and evaluation. First, to remain informative about deployment behaviour, evaluations need account for the possibility that AI systems understand their circumstances and reason strategically. Second, game-theoretic analysis can inform evaluation design by formalising and scrutinising the reasoning in evaluation-based safety cases. Drawing on examples from existing AI systems, a review of relevant research, and formal strategic analysis of a stylised evaluation scenario, we present evidence for these claims and motivate several research directions.

Diffusion bridges are a promising class of deep-learning methods for sampling from unnormalized distributions. Recent works show that the Log Variance (LV) loss consistently outperforms the reverse Kullback-Leibler (rKL) loss when using the reparametrization trick to compute rKL-gradients. While the on-policy LV loss yields identical gradients to the rKL loss when combined with the log-derivative trick for diffusion samplers with non-learnable forward processes, this equivalence does not hold for diffusion bridges or when diffusion coefficients are learned. Based on this insight we argue that for diffusion bridges the LV loss does not represent an optimization objective that can be motivated like the rKL loss via the data processing inequality. Our analysis shows that employing the rKL loss with the log-derivative trick (rKL-LD) does not only avoid these conceptual problems but also consistently outperforms the LV loss. Experimental results with different types of diffusion bridges on challenging benchmarks show that samplers trained with the rKL-LD loss achieve better performance. From a practical perspective we find that rKL-LD requires significantly less hyperparameter optimization and yields more stable training behavior.

Understanding how individual edges influence the behavior of graph neural networks (GNNs) is essential for improving their interpretability and robustness. Graph influence functions have emerged as promising tools to efficiently estimate the effects of edge deletions without retraining. However, existing influence prediction methods rely on strict convexity assumptions, exclusively consider the influence of edge deletions while disregarding edge insertions, and fail to capture changes in message propagation caused by these modifications. In this work, we propose a proximal Bregman response function specifically tailored for GNNs, relaxing the convexity requirement and enabling accurate influence prediction for standard neural network architectures. Furthermore, our method explicitly accounts for message propagation effects and extends influence prediction to both edge deletions and insertions in a principled way. Experiments with real-world datasets demonstrate accurate influence predictions for different characteristics of GNNs. We further demonstrate that the influence function is versatile in applications such as graph rewiring and adversarial attacks.

Classifier‑free guidance (CFG) is the workhorse for steering large diffusion models toward text‑conditioned targets, yet its naïve application to rectified flow (RF) based models provokes severe off–manifold drift, yielding visual artifacts, text misalignment, and brittle behaviour. We present Rectified-CFG++, an adaptive predictor–corrector guidance that couples the deterministic efficiency of rectified flows with a geometry‑aware conditioning rule. Each inference step first executes a conditional RF update that anchors the sample near the learned transport path, then applies a weighted conditional correction that interpolates between conditional and unconditional velocity fields. We prove that the resulting velocity field is marginally consistent and that its trajectories remain within a bounded tubular neighbourhood of the data manifold, ensuring stability across a wide range of guidance strengths. Extensive experiments on large‑scale text‑to‑image models (Flux, Stable Diffusion 3/3.5, Lumina) show that Rectified-CFG++ consistently outperforms standard CFG on benchmark datasets such as MS‑COCO, LAION‑Aesthetic, and T2I‑CompBench. Project page: https://rectified-cfgpp.github.io/.

End-to-end autonomous driving (E2E-AD) has emerged as a promising paradigm that unifies perception, prediction, and planning into a holistic, data-driven framework. However, achieving robustness to varying camera viewpoints, a common real-world challenge due to diverse vehicle configurations, remains an open problem. In this work, we propose VR-Drive, a novel E2E-AD framework that addresses viewpoint generalization by jointly learning 3D scene reconstruction as an auxiliary task to enable planning-aware view synthesis. Unlike prior scene-specific synthesis approaches, VR-Drive adopts a feed-forward inference strategy that supports online training-time augmentation from sparse views without additional annotations. To further improve viewpoint consistency, we introduce a viewpoint-mixed memory bank that facilitates temporal interaction across multiple viewpoints and a viewpoint-consistent distillation strategy that transfers knowledge from original to synthesized views. Trained in a fully end-to-end manner, VR-Drive effectively mitigates synthesis-induced noise and improves planning under viewpoint shifts. In addition, we release a new benchmark dataset to evaluate E2E-AD performance under novel camera viewpoints, enabling comprehensive analysis. Our results demonstrate that VR-Drive is a scalable and robust solution for the real-world deployment of end-to-end autonomous driving systems.

We propose L2T, an advancement of visual instruction tuning (VIT). While VIT equips Multimodal LLMs (MLLMs) with promising multimodal capabilities, the current design choices for VIT often result in overfitting and shortcut learning, potentially degrading performance. This gap arises from an overemphasis on instruction-following abilities, while neglecting the proactive understanding of visual information. Inspired by this, L2T adopts a simple yet effective approach by incorporating the loss function into both the instruction and response sequences. It seamlessly expands the training data, and regularizes the MLLMs from overly relying on language priors. Based on this merit, L2T achieves a significant relative improvement of up to 9% on comprehensive multimodal benchmarks, requiring no additional training data and incurring negligible computational overhead. Surprisingly, L2T attains exceptional fundamental visual capabilities, yielding up to an 18% improvement in captioning performance, while simultaneously alleviating hallucination in MLLMs. Github code: https://github.com/Feng-Hong/L2T.

Diffusion models have established themselves as leading techniques for image generation. However, their reliance on an iterative denoising process results in slow sampling speeds, which limits their applicability to interactive and creative applications. An approach to overcoming this limitation involves distilling multistep diffusion models into efficient one-step generators. However, existing distillation methods typically suffer performance degradation or require complex iterative training procedures which increase their complexity and computational cost. In this paper, we propose Contrastive Energy Distillation (CED), a simple yet effective approach to distill multistep diffusion models into effective one-step generators. Our key innovation is the introduction of an unnormalized joint energy-based model (EBM) that represents the generator and an auxiliary score model. CED optimizes a Noise Contrastive Estimation (NCE) objective to efficiently transfers knowledge from a multistep teacher diffusion model without additional modules or iterative training complexity. We further show that CED implicitly optimizes the KL divergence between the distributions modeled by the multistep diffusion model and the one-step generator. We present results of experiments which demonstrate that CED achieves competitive performance with the representative baselines for distilling multistep diffusion models while maintaining excellent memory efficiency.

Naive DDIM inversion process usually suffers from a trajectory deviation issue, i.e., the latent trajectory during reconstruction deviates from the one during inversion. To alleviate this issue, previous methods either learn to mitigate the deviation or design cumbersome compensation strategy to reduce the mismatch error, exhibiting substantial time and computation cost. In this work, we present a nearly free-lunch method (named FreeInv) to address the issue more effectively and efficiently. In FreeInv, we randomly transform the latent representation and keep the transformation the same between the corresponding inversion and reconstruction time-step. It is motivated from a statistical perspective that an ensemble of DDIM inversion processes for multiple trajectories yields a smaller trajectory mismatch error on expectation. Moreover, through theoretical analysis and empirical study, we show that FreeInv performs an efficient ensemble of multiple trajectories. FreeInv can be freely integrated into existing inversion-based image and video editing techniques. Especially for inverting video sequences, it brings more significant fidelity and efficiency improvements. Comprehensive quantitative and qualitative evaluation on PIE benchmark and DAVIS dataset shows that FreeInv remarkably outperforms conventional DDIM inversion, and is competitive among previous state-of-the-art inversion methods, with superior computation efficiency.

Recent advances in neural scene representations have led to unprecedented quality in 3D reconstruction and view synthesis. Despite achieving high-quality results for common benchmarks with curated data, outputs often degrade for data that contain per image variations such as strong exposure changes, present, e.g., in most scenes with indoor and outdoor areas or rooms with windows. In this paper, we introduce Neural Exposure Fields (NExF), a novel technique for robustly reconstructing 3D scenes with high quality and 3D-consistent appearance from challenging real-world captures. In the core, we propose to learn a neural field predicting an optimal exposure value per 3D point, enabling us to optimize exposure along with the neural scene representation. While capture devices such as cameras select optimal exposure per image/pixel, we generalize this concept and perform optimization in 3D instead. This enables accurate view synthesis in high dynamic range scenarios, bypassing the need of post-processing steps or multi-exposure captures. Our contributions include a novel neural representation for exposure prediction, a system for joint optimization of the scene representation and the exposure field via a novel neural conditioning mechanism, and demonstrated superior performance on challenging real-world data. We find that our approach trains faster than prior works and produces state-of-the-art results on several benchmarks improving by over 55% over best-performing baselines.