NeurIPS 2025 论文列表

In this paper we introduce Hierarchical Diffusion Language Models (HDLM) -- a novel family of discrete diffusion models for language modeling. HDLM builds on a hierarchical vocabulary where low-level tokens with detailed semantics are surjectively mapped to high-level tokens with coarse-grained meanings. In the forward process, each token is independently perturbed to its higher-level ancestor with more abstract semantics according to the scheduler, while in the reverse process the model progressively predicts the next, more detailed semantics. Taken together, HDLM provides a general time-varying next semantic scale prediction process for language modeling. We derive closed-form expressions for the diffusion Evidence Lower Bound (ELBO), and show that HDLM can be implemented in a flexible manner while including the existing MDLM as a special case. We also propose practical training techniques based on the insights. Extensive text generation experiments validate the effectiveness of HDLM, which demonstrates consistently lower validation and generative perplexity than baselines.

Recently, semantically constrained adversarial examples (SemanticAE), which are directly generated from natural language instructions, have become a promising avenue for future research due to their flexible attacking forms, but have not been thoroughly explored yet. To generate SemanticAEs, current methods fall short of satisfactory attacking ability as the key underlying factors of semantic uncertainty in human instructions, such as $\textit{referring diversity}$, $\textit{descriptive incompleteness}$, and $\textit{boundary ambiguity}$, have not been fully investigated. To tackle the issues, this paper develops a multi-dimensional $\textbf{ins}$truction $\textbf{u}$ncertainty $\textbf{r}$eduction ($\textbf{InSUR}$) framework to generate more satisfactory SemanticAE, $\textit{i.e.}$, transferable, adaptive, and effective. Specifically, in the dimension of the sampling method, we propose the residual-driven attacking direction stabilization to alleviate the unstable adversarial optimization caused by the diversity of language references. By coarsely predicting the language-guided sampling process, the optimization process will be stabilized by the designed ResAdv-DDIM sampler‌, therefore releasing the transferable and robust adversarial capability of multi-step diffusion models. In task modeling, we propose the context-encoded attacking scenario constraint to supplement the missing knowledge from incomplete human instructions. Guidance masking and renderer integration are proposed to regulate the constraints of 2D/3D SemanticAE, activating stronger scenario-adapted attacks. Moreover, in the dimension of generator evaluation, we propose the semantic-abstracted attacking evaluation enhancement by clarifying the evaluation boundary based on the label taxonomy, facilitating the development of more effective SemanticAE generators. Extensive experiments demonstrate the superiority of the transfer attack performance of InSUR. Besides, it is worth highlighting that we realize the reference-free generation of semantically constrained 3D adversarial examples by utilizing language-guided 3D generation models for the first time.

Recent research on motion generation has shown significant progress in generating semantically aligned motion with singular semantics. However, when employing these models to create composite sequences containing multiple semantically generated motion clips, they often struggle to preserve the continuity of motion dynamics at the transition boundaries between clips, resulting in awkward transitions and abrupt artifacts. To address these challenges, we present Compositional Phase Diffusion, which leverages the Semantic Phase Diffusion Module (SPDM) and Transitional Phase Diffusion Module (TPDM) to progressively incorporate semantic guidance and phase details from adjacent motion clips into the diffusion process. Specifically, SPDM and TPDM operate within the latent motion frequency domain established by the pre-trained Action-Centric Motion Phase Autoencoder (ACT-PAE). This allows them to learn semantically important and transition-aware phase information from variable-length motion clips during training. Experimental results demonstrate the competitive performance of our proposed framework in generating compositional motion sequences that align semantically with the input conditions, while preserving phase transitional continuity between preceding and succeeding motion clips. Additionally, motion inbetweening task is made possible by keeping the phase parameter of the input motion sequences fixed throughout the diffusion process, showcasing the potential for extending the proposed framework to accommodate various application scenarios. Codes are available at https://github.com/asdryau/TransPhase.

Diffusion models produce realistic images and videos but require substantial computational resources, necessitating multi-accelerator parallelism for real-time deployment. However, parallel inference introduces significant communication overhead from exchanging large activations between devices, limiting efficiency and scalability. We present CompactFusion, a compression framework that significantly reduces communication while preserving generation quality. Our key observation is that diffusion activations exhibit strong temporal redundancy—adjacent steps produce highly similar activations, saturating bandwidth with near-duplicate data carrying little new information. To address this inefficiency, we seek a more compact representation that encodes only the essential information. CompactFusion achieves this via Residual Compression that transmits only compressed residuals (step-wise activation differences). Based on empirical analysis and theoretical justification, we show that it effectively removes redundant data, enabling substantial data reduction while maintaining high fidelity. We also integrate lightweight error feedback to prevent error accumulation. CompactFusion establishes a new paradigm for parallel diffusion inference, delivering lower latency and significantly higher generation quality than prior methods. On 4$\times$L20, it achieves $3.0\times$ speedup while greatly improving fidelity. It also uniquely supports communication-heavy strategies like sequence parallelism on slow networks, achieving $6.7\times$ speedup over prior overlap-based method. CompactFusion applies broadly across diffusion models and parallel settings, and integrates easily without requiring pipeline rework. Portable implementation demonstrated on xDiT is publicly available at https://github.com/Cobalt-27/CompactFusion

Diffusion-based virtual staining methods of histopathology images have demonstrated outstanding potential for stain normalization and cross-dye staining (e.g., hematoxylin-eosin to immunohistochemistry). However, achieving pathology-correct cross-dye virtual staining with versatile tone controls poses significant challenges due to the difficulty of decoupling the given pathology and tone conditions. This issue would cause non-pathologic regions to be mistakenly stained like pathologic ones, and vice versa, which we term “pathology leakage.” To address this issue, we propose diffusion virtual staining Transformer (D-VST), a new framework with versatile tone control for cross-dye virtual staining. Specifically, we introduce a pathology encoder in conjunction with a tone encoder, combined with a two-stage curriculum learning scheme that decouples pathology and tone conditions, to enable tone control while eliminating pathology leakage. Further, to extend our method for billion-pixel whole slide image (WSI) staining, we introduce a novel frequency-aware adaptive patch sampling strategy for high-quality yet efficient inference of ultra-high resolution images in a zero-shot manner. Integrating these two innovative components facilitates a pathology-correct, tone-controllable, cross-dye WSI virtual staining process. Extensive experiments on three virtual staining tasks that involve translating between four different dyes demonstrate the superiority of our approach in generating high-quality and pathologically accurate images compared to existing methods based on generative adversarial networks and diffusion models. Our code and trained models will be released.

Diffusion models have demonstrated strong generative capabilities across domains ranging from image synthesis to complex reasoning tasks. However, most inference-time scaling methods rely on fixed denoising schedules, limiting their ability to allocate computation based on instance difficulty or task-specific demands adaptively. We introduce the challenge of adaptive inference-time scaling—dynamically adjusting computational effort during inference—and propose Adaptive Bi-directional Cyclic Diffusion (ABCD), a flexible, search-based inference framework. ABCD refines outputs through bi-directional diffusion cycles while adaptively controlling exploration depth and termination. It comprises three components: Cyclic Diffusion Search, Automatic Exploration-Exploitation Balancing, and Adaptive Thinking Time. Experiments show that ABCD improves performance across diverse tasks while maintaining computational efficiency.

Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins. However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples. To address these limitations, we introduce *ConfRover*, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectory data, supporting both time-dependent and time-independent sampling. At the core of our model is a modular architecture comprising: (i) an *encoding layer*, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a *temporal module*, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the *structure decoder*, generating conformations in continuous space. Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks. *ConfRover* is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data.

Modern causal language models, followed by rapid developments in discrete diffusion models, can now produce a wide variety of interesting and useful content. However, these families of models are predominantly trained to output tokens with a fixed (left-to-right) or random order, which may deviate from the logical order in which tokens are generated originally. In this paper, we observe that current causal and diffusion models encounter difficulties in problems that require adaptive token generation orders to solve tractably, which we characterize with the $\mathcal{V}$-information framework. Motivated by this, we propose Reinforced Context Order Recovery (ReCOR), a reinforcement-learning-based framework to extract adaptive, data-dependent token generation orders from text data without annotations. Self-supervised by token prediction statistics, ReCOR estimates the hardness of predicting every unfilled token and adaptively selects the next token during both training and inference. Experiments on challenging reasoning and planning datasets demonstrate the superior performance of ReCOR compared with baselines, sometimes outperforming oracle models supervised with the ground-truth order.

Diffusion Transformers (DiT) are renowned for their impressive generative performance; however, they are significantly constrained by considerable computational costs due to the quadratic complexity in self-attention and the extensive sampling steps required. While advancements have been made in expediting the sampling process, the underlying architectural inefficiencies within DiT remain underexplored. We introduce SparseDiT, a novel framework that implements token sparsification across spatial and temporal dimensions to enhance computational efficiency while preserving generative quality. Spatially, SparseDiT employs a tri-segment architecture that allocates token density based on feature requirements at each layer: Poolingformer in the bottom layers for efficient global feature extraction, Sparse-Dense Token Modules (SDTM) in the middle layers to balance global context with local detail, and dense tokens in the top layers to refine high-frequency details. Temporally, SparseDiT dynamically modulates token density across denoising stages, progressively increasing token count as finer details emerge in later timesteps. This synergy between SparseDiT’s spatially adaptive architecture and its temporal pruning strategy enables a unified framework that balances efficiency and fidelity throughout the generation process. Our experiments demonstrate SparseDiT’s effectiveness, achieving a 55\% reduction in FLOPs and a 175\% improvement in inference speed on DiT-XL with similar FID score on 512$\times$512 ImageNet, a 56\% reduction in FLOPs across video generation datasets, and a 69\% improvement in inference speed on PixArt-$\alpha$ on text-to-image generation task with a 0.24 FID score decrease. SparseDiT provides a scalable solution for high-quality diffusion-based generation compatible with sampling optimization techniques. Code is available at https://github.com/changsn/SparseDiT.

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number of denoising steps, regardless of downstream transmission limitations. However, in practical cloud-to-device scenarios, limited bandwidth often necessitates heavy compression, leading to loss of fine textures and wasted computation. To address this, we introduce a joint end-to-end training strategy where the diffusion model is conditioned on a target quality level derived from the available bandwidth. During training, the model learns to adaptively modulate the denoising process, enabling early-stop sampling that maintains perceptual quality appropriate to the target transmission condition. Our method requires minimal architectural changes and leverages a lightweight quality embedding to guide the denoising trajectory. Experimental results demonstrate that our approach significantly improves the visual fidelity of bandwidth-adapted generations compared to naive early-stopping, offering a promising solution for efficient image delivery in bandwidth-constrained environments. Code is available at: https://github.com/xzhang9308/BADiff.

Recent advances in data-centric deep generative models have led to significant progress in solving inverse imaging problems. However, these models (e.g., diffusion models (DMs)) typically require large amounts of fully sampled (clean) training data, which is often impractical in medical and scientific settings such as dynamic imaging. On the other hand, training-data-free approaches like the Deep Image Prior (DIP) do not require clean ground-truth images but suffer from noise overfitting and can be computationally expensive as the network parameters need to be optimized for each measurement vector independently. Moreover, DIP-based methods often overlook the potential of learning a prior using a small number of sub-sampled measurements (or degraded images) available during training. In this paper, we propose **UGoDIT**—an **U**nsupervised **G**r**o**up **DI**P with **T**ransferable weights—designed for the low-data regime where only a very small number, $M$, of sub-sampled measurement vectors are available during training. Our method learns a set of transferable weights by optimizing a shared encoder and $M$ disentangled decoders. At test time, we reconstruct the unseen degraded image using a DIP network, where part of the parameters are fixed to the learned weights, while the remaining are optimized to enforce measurement consistency. We evaluate \our on both medical (multi-coil MRI) and natural (super resolution and non-linear deblurring) image recovery tasks under various settings. Compared to recent standalone DIP methods, \our provides accelerated convergence and notable improvement in reconstruction quality. Furthermore, our method achieves performance competitive with SOTA DM-based and supervised approaches, despite not requiring large amounts of clean training data. Our code is available at: https://github.com/sjames40/UGoDIT.

We introduce Time-Conditioned Contraction Matching (TCCM), a novel method for semi-supervised anomaly detection in tabular data. TCCM is inspired by flow matching, a recent generative modeling framework that learns velocity fields between probability distributions and has shown strong performance compared to diffusion models and generative adversarial networks. Instead of directly applying flow matching as originally formulated, TCCM builds on its core idea—learning velocity fields between distributions—but simplifies the framework by predicting a time-conditioned contraction vector toward a fixed target (the origin) at each sampled time step. This design offers three key advantages: (1) a lightweight and scalable training objective that removes the need for solving ordinary differential equations during training and inference; (2) an efficient scoring strategy called one time-step deviation, which quantifies deviation from expected contraction behavior in a single forward pass, addressing the inference bottleneck of existing continuous-time models such as DTE (a diffusion-based model with leading anomaly detection accuracy but heavy inference cost); and (3) explainability and provable robustness, as the learned velocity field operates directly in input space, making the anomaly score inherently feature-wise attributable; moreover, the score function is Lipschitz-continuous with respect to the input, providing theoretical guarantees under small perturbations. Extensive experiments on the ADBench benchmark show that TCCM strikes a favorable balance between detection accuracy and inference cost, outperforming state-of-the-art methods—especially on high-dimensional and large-scale datasets. The source code is provided at https://github.com/ZhongLIFR/TCCM-NIPS.

A Computer-Aided Design (CAD) model encodes an object in two coupled forms: a \emph{parametric construction sequence} and its resulting \emph{visible geometric shape}. During iterative design, adjustments to the geometric shape inevitably require synchronized edits to the underlying parametric sequence, called \emph{geometry-driven parametric CAD editing}. The task calls for 1) preserving the original sequence’s structure, 2) ensuring each edit's semantic validity, and 3) maintaining high shape fidelity to the target shape, all under scarce editing data triplets. We present \emph{CADMorph}, an iterative \emph{plan–generate–verify} framework that orchestrates pretrained domain-specific foundation models during inference: a \emph{parameter-to-shape} (P2S) latent diffusion model and a \emph{masked-parameter-prediction} (MPP) model. In the planning stage, cross-attention maps from the P2S model pinpoint the segments that need modification and offer editing masks. The MPP model then infills these masks with semantically valid edits in the generation stage. During verification, the P2S model embeds each candidate sequence in shape-latent space, measures its distance to the target shape, and selects the closest one. The three stages leverage the inherent geometric consciousness and design knowledge in pretrained priors, and thus tackle structure preservation, semantic validity, and shape fidelity respectively. Besides, both P2S and MPP models are trained without triplet data, bypassing the data-scarcity bottleneck. CADMorph surpasses GPT-4o and specialized CAD baselines, and supports downstream applications such as iterative editing and reverse-engineering enhancement.

The performance gap between training sparse neural networks from scratch (PaI) and dense-to-sparse training presents a major roadblock for efficient deep learning. According to the Lottery Ticket Hypothesis, PaI hinges on finding a problem specific parameter initialization. As we show, to this end, determining correct parameter signs is sufficient. Yet, they remain elusive to PaI. To address this issue, we propose Sign-In, which employs a dynamic reparameterization that provably induces sign flips. Such sign flips are complementary to the ones that dense-to-sparse training can accomplish, rendering Sign-In as an orthogonal method. While our experiments and theory suggest performance improvements of PaI, they also carve out the main open challenge to close the gap between PaI and dense-to-sparse training.

We propose a new approach to vision-based dexterous grasp translation, which aims to transfer grasp intent across robotic hands with differing morphologies. Given a visual observation of a source hand grasping an object, our goal is to synthesize a functionally equivalent grasp for a target hand without requiring paired demonstrations or hand-specific simulations. We frame this problem as a stochastic transport between grasp distributions using the Schrödinger Bridge formalism. Our method learns to map between source and target latent grasp spaces via score and flow matching, conditioned on visual observations. To guide this translation, we introduce physics-informed cost functions that encode alignment in base pose, contact maps, wrench space, and manipulability. Experiments across diverse hand-object pairs demonstrate that our approach generates stable, physically grounded grasps with strong generalization. This work enables semantic grasp transfer for heterogeneous manipulators and bridges vision-based grasping with probabilistic generative modeling. Additional details at https://grasp2grasp.github.io/.

Recent monocular metric depth estimation (MMDE) methods have made notable progress towards zero-shot generalization. However, they still exhibit a significant performance drop on out-of-distribution datasets. We address this limitation by injecting defocus blur cues at inference time into Marigold, a \textit{pre-trained} diffusion model for zero-shot, scale-invariant monocular depth estimation (MDE). Our method effectively turns Marigold into a metric depth predictor in a training-free manner. To incorporate defocus cues, we capture two images with a small and a large aperture from the same viewpoint. To recover metric depth, we then optimize the metric depth scaling parameters and the noise latents of Marigold at inference time using gradients from a loss function based on the defocus-blur image formation model. We compare our method against existing state-of-the-art zero-shot MMDE methods on a self-collected real dataset, showing quantitative and qualitative improvements.

Representation Alignment (REPA) that aligns Diffusion Transformer (DiT) hidden-states with ViT visual encoders has proven highly effective in DiT training, demonstrating superior convergence properties, but it has not been validated on the canonical diffusion U-Net architecture that shows faster convergence compared to DiTs. However, adapting REPA to U-Net architectures presents unique challenges: (1) different block functionalities necessitate revised alignment strategies; (2) spatial-dimension inconsistencies emerge from U-Net's spatial downsampling operations; (3) space gaps between U-Net and ViT hinder the effectiveness of tokenwise alignment. To encounter these challenges, we propose U-REPA, a representation alignment paradigm that bridges U-Net hidden states and ViT features as follows: Firstly, we propose via observation that due to skip connection, the middle stage of U-Net is the best alignment option. Secondly, we propose upsampling of U-Net features after passing them through MLPs. Thirdly, we observe difficulty when performing tokenwise similarity alignment, and further introduces a manifold loss that regularizes the relative similarity between samples. Experiments indicate that the resulting U-REPA could achieve excellent generation quality and greatly accelerates the convergence speed. With CFG guidance interval, U-REPA could reach FID<1.5 in 200 epochs or 1M iterations on ImageNet 256 $\times$ 256, and needs only half the total epochs to perform better than REPA under \textit{sd-vae-ft-ema}.

Conditional generative modeling aims to learn a conditional data distribution from samples containing data-condition pairs. For this, diffusion and flow-based methods have attained compelling results. These methods use a learned (flow) model to transport an initial standard Gaussian noise that ignores the condition to the conditional data distribution. The model is hence required to learn both mass transport \emph{and} conditional injection. To ease the demand on the model, we propose \emph{Condition-Aware Reparameterization for Flow Matching} (CAR-Flow) -- a lightweight, learned \emph{shift} that conditions the source, the target, or both distributions. By relocating these distributions, CAR-Flow shortens the probability path the model must learn, leading to faster training in practice. On low-dimensional synthetic data, we visualize and quantify the effects of CAR-Flow. On higher-dimensional natural image data (ImageNet-256), equipping SiT-XL/2 with CAR-Flow reduces FID from 2.07 to 1.68, while introducing less than \(0.6\%\) additional parameters.

Flow matching is an emerging generative modeling framework that learns continuous-time dynamics to map noise into data. To enhance expressiveness and sampling efficiency, recent works have explored incorporating high-order trajectory information. Despite the empirical success, a holistic theoretical foundation is still lacking. We present a unified framework for standard and high-order flow matching that incorporates trajectory derivatives up to an arbitrary order $K$. Our key innovation is establishing the marginalization technique that converts the intractable $K$-order loss into a simple conditional regression with exact gradients and identifying the consistency constraint. We establish sharp statistical rates of the $K$-order flow matching implemented with transformer networks. With $n$ samples, flow matching estimates nonparametric distributions at a rate $\tilde{O}(n^{-\Theta(1/d )})$, matching minimax lower bounds up to logarithmic factors.