NeurIPS 2025 Papers

Starting from flow- and diffusion-based transformers, Multi-modal Diffusion Transformers (MM-DiTs) have reshaped text-to-vision generation, gaining acclaim for exceptional visual fidelity. As these models advance, users continually push the boundary with imaginative or rare prompts, which advanced models still falter in generating, since their concepts are often too scarce to leave a strong imprint during pre-training. In this paper, we propose a simple yet effective intervention that surfaces rare semantics inside MM-DiTs without additional training steps, data, denoising-time optimization, or reliance on external modules (e.g., large language models). In particular, the joint-attention mechanism intrinsic to MM-DiT sequentially updates text embeddings alongside image embeddings throughout transformer blocks. We find that by mathematically expanding representational basins around text token embeddings via variance scale-up before the joint-attention blocks, rare semantics clearly emerge in MM-DiT’s outputs. Furthermore, our results generalize effectively across text-to-vision tasks, including text-to-image, text-to-video, and text-driven image editing. Our work invites generative models to reveal the semantics that users intend, once hidden yet ready to surface.

Finding low-rank matrix weights is a key technique for addressing the high memory usage and computational demands of large models. Most existing algorithms rely on the factorization of the low-rank matrix weights, which is non-unique and redundant. Their convergence is slow especially when the target low-rank matrices are ill-conditioned, because the convergence rate depends on the condition number of the Jacobian operator for the factorization and the Hessian of the loss function with respect to the weight matrix. To address this challenge, we adopt the Riemannian gradient descent (RGD) algorithm on the Riemannian manifold of fixed-rank matrices to update the entire low-rank weight matrix. This algorithm completely avoids the factorization, thereby eliminating the negative impact of the Jacobian condition number. Furthermore, by leveraging the geometric structure of the Riemannian manifold and selecting an appropriate metric, it mitigates the negative impact of the Hessian condition number. Ultimately, this results in our two plug-and-play optimizers: RAdaGrad and RAdamW, which are RGD with metrics adapted from AdaGrad and AdamW and restricted to the manifold. Our algorithms can be seamlessly integrated with various deep neural network architectures without any modifications. We evaluate the effectiveness of our algorithms through fine-tuning experiments on large language models and diffusion models. Experimental results consistently demonstrate that our algorithms provide superior performance compared to state-of-the-art methods. Additionally, our algorithm is not only effective for fine-tuning large models but is also applicable to deep neural network (DNN) compression.

Model-free reinforcement learning (RL) combined with diffusion models has achieved significant progress in addressing complex continuous control tasks. However, a persistent challenge in RL remains the accurate estimation of Q-values, which critically governs the efficacy of policy optimization. Although recent advances employ parametric distributions to model value distributions for enhanced estimation accuracy, current methodologies predominantly rely on unimodal Gaussian assumptions or quantile representations. These constraints introduce distributional bias between the learned and true value distributions, particularly in some tasks with a nonstationary policy, ultimately degrading performance. To address these limitations, we propose value diffusion reinforcement learning (VDRL), a novel model-free online RL method that utilizes the generative capacity of diffusion models to represent multimodal value distributions. The core innovation of VDRL lies in the use of the variational loss of diffusion-based value distribution, which is theoretically proven to be a tight lower bound for the optimization objective under the KL-divergence measurement. Furthermore, we introduce double value diffusion learning with sample selection to enhance training stability and further improve value estimation accuracy. Extensive experiments conducted on the MuJoCo benchmark demonstrate that VDRL significantly outperforms some SOTA model-free online RL baselines, showcasing its effectiveness and robustness.

Diffusion models have shown remarkable potential in planning and control tasks due to their ability to represent multimodal distributions over actions and trajectories. However, ensuring safety under constraints remains a critical challenge for diffusion models. This paper proposes Constrained Diffusers, an extended framework for planning and control that incorporates distribution-level constraints into pre-trained diffusion models without retraining or architectural modifications. Inspired by constrained optimization, we apply a constrained Langevin samplingfor the reverse diffusion process that jointly optimizes the trajectory and realizes constraint satisfaction through three iterative algorithms: projected method, primal-dual method and augmented Lagrangian methods. In addition, we incorporate discrete control barrier functions as constraints for constrained diffusers to guarantee safety in online implementation, following a receding-horizon control that we generate a short-horizon plan and execute only the first action before replanning. Experiments in Maze2D, locomotion, and PyBullet ball running tasks demonstrate that our proposed methods achieve constraint satisfaction with less computation time, and are competitive with existing methods in environments with static and time-varying constraints.

Kernel ridge regression (KRR) is a foundational tool in machine learning, with recent work emphasizing its connections to neural networks. However, existing theory primarily addresses the i.i.d. setting, while real-world data often exhibits structured dependencies - particularly in applications like denoising score learning where multiple noisy observations derive from shared underlying signals. We present the first systematic study of KRR generalization for non-i.i.d. data with signal-noise causal structure, where observations represent different noisy views of common signals. Under standard spectral decay assumptions, we develop a novel blockwise decomposition method that enables precise concentration analysis for dependent data. Using this technique, we derive excess risk bounds for KRR that explicitly depend on: (1) the kernel spectrum, (2) causal structure parameters, and (3) sampling mechanisms (including relative sample sizes for signals and noises). We further apply our results to denoising score learning, establishing generalization guarantees and providing principled guidance for sampling noisy data points. This work advances KRR theory while providing practical tools for analyzing dependent data in modern machine learning applications.

Data augmentation using generative models has emerged as a powerful paradigm for enhancing performance in computer vision tasks. However, most existing augmentation approaches primarily focus on optimizing intrinsic data attributes -- such as fidelity and diversity -- to generate visually high-quality synthetic data, while often neglecting task-specific requirements. Yet, it is essential for data generators to account for the needs of downstream tasks, as training data requirements can vary significantly across different tasks and network architectures. To address these limitations, we propose UtilGen, a novel utility-centric data augmentation framework that adaptively optimizes the data generation process to produce task-specific, high-utility training data via downstream task feedback. Specifically, we first introduce a weight allocation network to evaluate the task-specific utility of each synthetic sample. Guided by these evaluations, UtilGen iteratively refines the data generation process using a dual-level optimization strategy to maximize the synthetic data utility: (1) model-level optimization tailors the generative model to the downstream task, and (2) instance-level optimization adjusts generation policies -- such as prompt embeddings and initial noise -- at each generation round. Extensive experiments on eight benchmark datasets of varying complexity and granularity demonstrate that UtilGen consistently achieves superior performance, with an average accuracy improvement of 3.87\% over previous SOTA. Further analysis of data influence and distribution reveals that UtilGen produces more impactful and task-relevant synthetic data, validating the effectiveness of the paradigm shift from visual characteristics-centric to task utility-centric data augmentation.

We present WUKONG, a novel training-free framework for high-fidelity textured 3D morphing that takes a pair of source and target prompts (text or images) as input. Unlike conventional methods -- which rely on manual correspondence matching and deformation trajectory estimation (limiting generalization and requiring costly preprocessing) -- WUKONG leverages the generative prior of flow-based transformers to produce high-fidelity 3D transitions with rich texture details. To ensure smooth shape transitions, we exploit the inherent continuity of flow-based generative processes and formulate morphing as an optimal transport barycenter problem. We further introduce a sequential initialization strategy to prevent abrupt geometric distortions and preserve identity coherence. For faithful texture preservation, we propose a similarity-guided semantic consistency mechanism that selectively retains high-frequency details and enables precise control over blending dynamics. This avoids common artifacts like oversmoothing while maintaining semantic fidelity. Through extensive quantitative and qualitative evaluations, we demonstrate that WUKONG significantly outperforms state-of-the-art methods, achieving superior results across diverse geometry and texture variations.

Generating realistic graphs faces challenges in estimating accurate distribution of graphs in an embedding space while preserving structural characteristics. However, existing graph generation methods primarily focus on approximating the joint distribution of nodes and edges, often overlooking topological properties such as connected components and loops, hindering accurate representation of global structures. To address this issue, we propose a Topology-Aware diffusion-based Graph Generation (TAGG), which aims to sample synthetic graphs that closely resemble the structural characteristics of the original graph based on persistent homology. Specifically, we suggest two core components: 1) Persistence Diagram Matching (PDM) loss which ensures high topological fidelity of generated graphs, and 2) topology-aware attention module (TAM) which induces the denoising network to capture the homological characteristics of the original graphs. Extensive experiments on conventional graph benchmarks demonstrate the effectiveness of our approach demonstrating high generation performance across various metrics, while achieving closer alignment with the distribution of topological features observed in the original graphs. Furthermore, application to real brain network data showcases its potential for complex and real graph applications.

The urban environment is characterized by complex spatio-temporal dynamics arising from diverse human activities and interactions. Effectively modeling these dynamics is essential for understanding and optimizing urban systems. In this work, we introduce UrbanDiT, a foundation model for open-world urban spatio-temporal learning that successfully scales up diffusion transformers in this field. UrbanDiT pioneers a unified model that integrates diverse data sources and types while learning universal spatio-temporal patterns across different cities and scenarios. This allows the model to unify both multi-data and multi-task learning, and effectively support a wide range of spatio-temporal applications. Its key innovation lies in the elaborated prompt learning framework, which adaptively generates both data-driven and task-specific prompts, guiding the model to deliver superior performance across various urban applications. UrbanDiT offers three advantages: 1) It unifies diverse data types, such as grid-based and graph-based data, into a sequential format; 2) With task-specific prompts, it supports a wide range of tasks, including bi-directional spatio-temporal prediction, temporal interpolation, spatial extrapolation, and spatio-temporal imputation; and 3) It generalizes effectively to open-world scenarios, with its powerful zero-shot capabilities outperforming nearly all baselines with training data. UrbanDiT sets up a new benchmark for foundation models in the urban spatio-temporal domain. Code and datasets are publicly available at \url{https://github.com/tsinghua-fib-lab/UrbanDiT}.

Recent work has shown that the generalization ability of image diffusion models arises from the locality properties of the trained neural network. In particular, when denoising a particular pixel, the model relies on a limited neighborhood of the input image around that pixel, which, according to the previous work, is tightly related to the ability of these models to produce novel images. Since locality is central to generalization, it is crucial to understand why diffusion models learn local behavior in the first place, as well as the factors that govern the properties of locality patterns. In this work, we present evidence that the locality in deep diffusion models emerges as a statistical property of the image dataset and is not due to the inductive bias of convolutional neural networks, as suggested in previous work. Specifically, we demonstrate that an optimal parametric linear denoiser exhibits similar locality properties to deep neural denoisers. We show, both theoretically and experimentally, that this locality arises directly from pixel correlations present in the image datasets. Moreover, locality patterns are drastically different on specialized datasets, approximating principal components of the data’s covariance. We use these insights to craft an analytical denoiser that better matches scores predicted by a deep diffusion model than prior expert-crafted alternatives. Our key takeaway is that while neural network architectures influence generation quality, their primary role is to capture locality patterns inherent in the data.

Old-photo face restoration poses significant challenges due to compounded degradations such as breakage, fading, and severe blur. Existing pre-trained diffusion-guided methods either rely on explicit degradation priors or global statistical guidance, which struggle with localized artifacts or face color. We propose Self-Supervised Selective-Guided Diffusion (SSDiff), which leverages pseudo-reference faces generated by a pre-trained diffusion model under weak guidance. These pseudo-labels exhibit structurally aligned contours and natural colors, enabling region-specific restoration via staged supervision: structural guidance applied throughout the denoising process and color refinement in later steps, aligned with the coarse-to-fine nature of diffusion. By incorporating face parsing maps and scratch masks, our method selectively restores breakage regions while avoiding identity mismatch. We further construct VintageFace, a 300-image benchmark of real old face photos with varying degradation levels. SSDiff outperforms existing GAN-based and diffusion-based methods in perceptual quality, fidelity, and regional controllability. Code link: https://github.com/PRIS-CV/SSDiff.

Self-supervised pre-training is essential for 3D point cloud representation learning, as annotating their irregular, topology-free structures is costly and labor-intensive. Masked autoencoders (MAEs) offer a promising framework but rely on explicit positional embeddings, such as patch center coordinates, which leak geometric information and limit data-driven structural learning. In this work, we propose Point-MaDi, a novel Point cloud Masked autoencoding Diffusion framework for pre-training that integrates a dual-diffusion pretext task into an MAE architecture to address this issue. Specifically, we introduce a center diffusion mechanism in the encoder, noising and predicting the coordinates of both visible and masked patch centers without ground-truth positional embeddings. These predicted centers are processed using a transformer with self-attention and cross-attention to capture intra- and inter-patch relationships. In the decoder, we design a conditional patch diffusion process, guided by the encoder's latent features and predicted centers to reconstruct masked patches directly from noise. This dual-diffusion design drives comprehensive global semantic and local geometric representations during pre-training, eliminating external geometric priors. Extensive experiments on ScanObjectNN, ModelNet40, ShapeNetPart, S3DIS, and ScanNet demonstrate that Point-MaDi achieves superior performance across downstream tasks, surpassing Point-MAE by 5.51\% on OBJ-BG, 5.17\% on OBJ-ONLY, and 4.34\% on PB-T50-RS for 3D object classification on the ScanObjectNN dataset.

Current AIGC detectors often achieve near-perfect accuracy on images produced by the same generator used for training but struggle to generalize to outputs from unseen generators. We trace this failure in part to latent prior bias: detectors learn shortcuts tied to patterns stemming from the initial noise vector rather than learning robust generative artifacts. To address this, we propose \textbf{On-Manifold Adversarial Training (OMAT)}: by optimizing the initial latent noise of diffusion models under fixed conditioning, we generate \emph{on-manifold} adversarial examples that remain on the generator’s output manifold—unlike pixel-space attacks, which introduce off-manifold perturbations that the generator itself cannot reproduce and that can obscure the true discriminative artifacts. To test against state-of-the-art generative models, we introduce GenImage++, a test-only benchmark of outputs from advanced generators (Flux.1, SD3) with extended prompts and diverse styles. We apply our adversarial-training paradigm to ResNet50 and CLIP baselines and evaluate across existing AIGC forensic benchmarks and recent challenge datasets. Extensive experiments show that adversarially trained detectors significantly improve cross-generator performance without any network redesign. Our findings on latent-prior bias offer valuable insights for future dataset construction and detector evaluation, guiding the development of more robust and generalizable AIGC forensic methodologies.

Recent advances in multi-modal representation learning have led to unified embedding spaces that align modalities such as images, text, audio, and vision. However, human motion sequences, a modality that is fundamental for understanding dynamic human activities, remains largely unrepresented in these frameworks. Semantic understanding of actions requires multi-modal grounding: text conveys descriptive semantics, vision provides visual context, and audio provides environmental cues. To bridge this gap, we propose MotionBind, a novel architecture that extends the LanguageBind embedding space to incorporate human motion. MotionBind has two major components. The first one is a Multi-Scale Temporal Motion Transformer (MuTMoT) that maps motion sequences to semantically meaningful embeddings. Multimodal alignment is achieved via diverse cross-modal supervision, including motion-text pairs from HumanML3D and KIT-ML, motion-video pairs rendered from AMASS, and motion-video-audio triplets from AIST++. The second component is a Retrieval-Augmented Latent diffusion Model (REALM) that can generate motion sequences conditioned on many modalities. MotionBind achieves state-of-the-art or competitive performance across motion reconstruction, cross-modal retrieval, zero-shot action recognition, and text-to-motion generation benchmarks.

Existing diffusion-based super-resolution approaches often exhibit semantic ambiguities due to inaccuracies and incompleteness in their text conditioning, coupled with the inherent tendency for cross-attention to divert towards irrelevant pixels. These limitations can lead to semantic misalignment and hallucinated details in the generated high-resolution outputs. To address these, we propose a novel, plug-and-play *spatially re-focused super-resolution (SRSR)* framework that consists of two core components: first, we introduce Spatially Re-focused Cross-Attention (SRCA), which refines text conditioning at inference time by applying visually-grounded segmentation masks to guide cross-attention. Second, we introduce a Spatially Targeted Classifier-Free Guidance (STCFG) mechanism that selectively bypasses text influences on ungrounded pixels to prevent hallucinations. Extensive experiments on both synthetic and real-world datasets demonstrate that SRSR consistently outperforms seven state-of-the-art baselines in standard fidelity metrics (PSNR and SSIM) across all datasets, and in perceptual quality measures (LPIPS and DISTS) on two real-world benchmarks, underscoring its effectiveness in achieving both high semantic fidelity and perceptual quality in super-resolution.

Pre-trained stable diffusion models (SD) have shown great advances in visual correspondence. In this paper, we investigate the capabilities of Diffusion Transformers (DiTs) for accurate dense correspondence. Distinct from SD, DiTs exhibit a critical phenomenon in which very few feature activations exhibit significantly larger values than others, known as massive activations, leading to uninformative representations and significant performance degradation for DiTs. The massive activations consistently concentrate at very few fixed dimensions across all image patch tokens, holding little local information. We analyze these dimension-concentrated massive activations and uncover that their concentration is inherently linked to the Adaptive Layer Normalization (AdaLN) in DiTs. Building on these findings, we propose the Diffusion Transformer Feature (DiTF), a training-free AdaLN-based framework that extracts semantically discriminative features from DiTs. Specifically, DiTF leverages AdaLN to adaptively localize and normalize massive activations through channel-wise modulation. Furthermore, a channel discard strategy is introduced to mitigate the adverse effects of massive activations. Experimental results demonstrate that our DiTF outperforms both DINO and SD-based models and establishes a new state-of-the-art performance for DiTs in different visual correspondence tasks (e.g., with +9.4\% on Spair-71k and +4.4\% on AP-10K-C.S.).

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for *gradient-based guidance*: namely, *posterior guidance* (*i.e.*, guidance via projecting the current sample to the target distribution via the target prediction model) and *end-to-end guidance* (*i.e.*, guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be *unified* by looking at posterior guidance as a *greedy strategy* of *end-to-end guidance*. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the *continuous ideal gradients*. Motivated by this analysis we then show a method for *interpolating* between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

Synthetic image detectors (SIDs) are a key defense against the risks posed by the growing realism of images from text-to-image (T2I) models. Red teaming improves SID’s effectiveness by identifying and exploiting their failure modes via misclassified synthetic images. However, existing red-teaming solutions (i) require white-box access to SIDs, which is infeasible for proprietary state-of-the-art detectors, and (ii) generate image-specific attacks through expensive online optimization. To address these limitations, we propose PolyJuice, the first black-box, image-agnostic red-teaming method for SIDs, based on an observed distribution shift in the T2I latent space between samples correctly and incorrectly classified by the SID. PolyJuice generates attacks by (i) identifying the direction of this shift through a lightweight offline process that only requires black-box access to the SID, and (ii) exploiting this direction by universally steering all generated images towards the SID’s failure modes. PolyJuice-steered T2I models are significantly more effective at deceiving SIDs (up to 84%) compared to their unsteered counterparts. We also show that the steering directions can be estimated efficiently at lower resolutions and transferred to higher resolutions using simple interpolation, reducing computational overhead. Finally, tuning SID models on PolyJuice-augmented datasets notably enhances the performance of the detectors (up to 30%).

Discrete diffusion models have recently gained significant attention due to their ability to process complex discrete structures for language modeling. However, fine-tuning these models with policy gradient methods, as is commonly done in Reinforcement Learning from Human Feedback (RLHF), remains a challenging task. We propose an efficient, broadly applicable, and theoretically justified policy gradient algorithm, called Score Entropy Policy Optimization (SEPO), for fine-tuning discrete diffusion models over non-differentiable rewards. Our numerical experiments across several discrete generative tasks demonstrate the scalability and efficiency of our method.