ICML 2025 论文列表

Motion synthesis for diverse object categories holds great potential for 3D content creation but remains underexplored due to two key challenges: (1) the lack of comprehensive motion datasets that include a wide range of high-quality motions and annotations, and (2) the absence of methods capable of handling heterogeneous skeletal templates from diverse objects. To address these challenges, we contribute the following: First, we augment the Truebones Zoo dataset—a high-quality animal motion dataset covering over 70 species—by annotating it with detailed text descriptions, making it suitable for text-based motion synthesis. Second, we introduce rig augmentation techniques that generate diverse motion data while preserving consistent dynamics, enabling models to adapt to various skeletal configurations. Finally, we redesign existing motion diffusion models to dynamically adapt to arbitrary skeletal templates, enabling motion synthesis for a diverse range of objects with varying structures. Experiments show that our method learns to generate high-fidelity motions from textual descriptions for diverse and even unseen objects, setting a strong foundation for motion synthesis across diverse object categories and skeletal templates. Qualitative results are available on this [link](https://t2m4lvo.github.io).

Despite significant advances in quality and complexity of the generations in text-to-image models, *prompting* does not always lead to the desired outputs. Controlling model behaviour by directly *steering* intermediate model activations has emerged as a viable alternative allowing to *reach* concepts in latent space that may otherwise remain inaccessible by prompt. In this work, we introduce a set of experiments to deepen our understanding of concept reachability. We design a training data setup with three key obstacles: scarcity of concepts, underspecification of concepts in the captions, and data biases with tied concepts. Our results show: (i) concept reachability in latent space exhibits a distinct phase transition, with only a small number of samples being sufficient to enable reachability, (ii) *where* in the latent space the intervention is performed critically impacts reachability, showing that certain concepts are reachable only at certain stages of transformation, and (iii) while prompting ability rapidly diminishes with a decrease in quality of the dataset, concepts often remain reliably reachable through steering. Model providers can leverage this to bypass costly retraining and dataset curation and instead innovate with user-facing control mechanisms.

The primary goal of brain-computer interfaces (BCIs) is to establish a direct linkage between neural activities and behavioral actions via neural decoders. Due to the nonstationary property of neural signals, BCIs trained on one day usually obtain degraded performance on other days, hindering the user experience. Existing studies attempted to address this problem by aligning neural signals across different days. However, these neural adaptation methods may exhibit instability and poor performance when only a few trials are available for alignment, limiting their practicality in real-world BCI deployment. To achieve efficient and stable neural adaptation with few trials, we propose Flow-Based Distribution Alignment (FDA), a novel framework that utilizes flow matching to learn flexible neural representations with stable latent dynamics, thereby facilitating source-free domain alignment through likelihood maximization. The latent dynamics of FDA framework is theoretically proven to be stable using Lyapunov exponents, allowing for robust adaptation. Further experiments across multiple motor cortex datasets demonstrate the superior performance of FDA, achieving reliable results with fewer than five trials. Our FDA approach offers a novel and efficient solution for few-trial neural data adaptation, offering significant potential for improving the long-term viability of real-world BCI applications.

This paper introduces EasyInv, an easy yet novel approach that significantly advances the field of DDIM Inversion by addressing the inherent inefficiencies and performance limitations of traditional iterative optimization methods. At the core of our EasyInv is a refined strategy for approximating inversion noise, which is pivotal for enhancing the accuracy and reliability of the inversion process. By prioritizing the initial latent state, which encapsulates rich information about the original images, EasyInv steers clear of the iterative refinement of noise items. Instead, we introduce a methodical aggregation of the latent state from the preceding time step with the current state, effectively increasing the influence of the initial latent state and mitigating the impact of noise. We illustrate that EasyInv is capable of delivering results that are either on par with or exceed those of the conventional DDIM Inversion approach, especially under conditions where the model's precision is limited or computational resources are scarce. Concurrently, our EasyInv offers an approximate threefold enhancement regarding inference efficiency over off-the-shelf iterative optimization techniques. It can be easily combined with most existing inversion methods by only four lines of code. See code at https://github.com/potato-kitty/EasyInv.

Denoising Diffusion Probabilistic Models (DDPMs) have emerged as powerful tools for generative modeling. However, their sequential computation requirements lead to significant inference-time bottlenecks. In this work, we utilize the connection between DDPMs and Stochastic Localization to prove that, under an appropriate reparametrization, the increments of DDPM satisfy an exchangeability property. This general insight enables near-black-box adaptation of various performance optimization techniques from autoregressive models to the diffusion setting. To demonstrate this, we introduce _Autospeculative Decoding_ (ASD), an extension of the widely used speculative decoding algorithm to DDPMs that does not require any auxiliary draft models. Our theoretical analysis shows that ASD achieves a $\tilde{O}(K^{\frac{1}{3}})$ parallel runtime speedup over the $K$ step sequential DDPM. We also demonstrate that a practical implementation of autospeculative decoding accelerates DDPM inference significantly in various domains.

In image processing, solving inverse problems is the task of finding plausible reconstructions of an image that was corrupted by some (usually known) degradation operator. Commonly, this process is done using a generative image model that can guide the reconstruction towards solutions that appear natural. The success of diffusion models over the last few years has made them a leading candidate for this task. However, the sequential nature of diffusion models makes this conditional sampling process challenging. Furthermore, since diffusion models are often defined in the latent space of an autoencoder, the encoder-decoder transformations introduce additional difficulties. To address these challenges, we suggest a novel sampling method based on sequential Monte Carlo (SMC) in the latent space of diffusion models. We name our method LD-SMC. We define a generative model for the data using additional auxiliary observations and perform posterior inference with SMC sampling based on a backward diffusion process. Empirical evaluations on ImageNet and FFHQ show the benefits of LD-SMC over competing methods in various inverse problem tasks and especially in challenging inpainting tasks.

We study bandit learning in matching markets with two-sided reward uncertainty, extending prior research primarily focused on single-sided uncertainty. Leveraging the concept of `super-stability' from Irving (1994), we demonstrate the advantage of the Extended Gale-Shapley (GS) algorithm over the standard GS algorithm in achieving true stable matchings under incomplete information. By employing the Extended GS algorithm, our centralized algorithm attains a logarithmic pessimal stable regret dependent on an instance-dependent admissible gap parameter. This algorithm is further adapted to a decentralized setting with a constant regret increase. Finally, we establish a novel centralized instance-dependent lower bound for binary stable regret, elucidating the roles of the admissible gap and super-stable matching in characterizing the complexity of stable matching with bandit feedback.

Harnessing the power of diffusion models to synthesize auxiliary training data based on latent space features has proven effective in enhancing out-of-distribution (OOD) detection performance. However, extracting effective features outside the in-distribution (ID) boundary in latent space remains challenging due to the difficulty of identifying decision boundaries between classes. This paper proposes a novel framework called Boundary-based Out-Of-Distribution data generation (BOOD), which synthesizes high-quality OOD features and generates human-compatible outlier images using diffusion models. BOOD first learns a text-conditioned latent feature space from the ID dataset, selects ID features closest to the decision boundary, and perturbs them to cross the decision boundary to form OOD features. These synthetic OOD features are then decoded into images in pixel space by a diffusion model. Compared to previous works, BOOD provides a more training efficient strategy for synthesizing informative OOD features, facilitating clearer distinctions between ID and OOD data. Extensive experimental results on common benchmarks demonstrate that BOOD surpasses the state-of-the-art method significantly, achieving a 29.64\% decrease in average FPR95 (40.31\% vs. 10.67\%) and a 7.27\% improvement in average AUROC (90.15\% vs. 97.42\%) on the Cifar-100 dataset.

As Diffusion Models (DM) generate increasingly realistic images, related issues such as copyright and misuse have become a growing concern. Watermarking is one of the promising solutions. Existing methods inject the watermark into the *single-domain* of initial Gaussian noise for generation, which suffers from unsatisfactory robustness. This paper presents the first *dual-domain* DM watermarking approach using a pipelined injector to consistently embed watermarks in both the spatial and frequency domains. To further boost robustness against certain image manipulations and advanced attacks, we introduce a model-independent learnable Gaussian Noise Restorer (GNR) to refine Gaussian noise extracted from manipulated images and enhance detection robustness by integrating the detection scores of both watermarks. GaussMarker efficiently achieves state-of-the-art performance under eight image distortions and four advanced attacks across three versions of Stable Diffusion with better recall and lower false positive rates, as preferred in real applications.

Multimodal data is a precious asset enabling a variety of downstream tasks in machine learning. However, real-world data collected across different modalities is often not paired, which is a significant challenge to learn a joint distribution. A prominent approach to address the modality coupling problem is Minimum Entropy Coupling (MEC), which seeks to minimize the joint Entropy, while satisfying constraints on the marginals. Existing approaches to the MEC problem focus on finite, discrete distributions, limiting their application for cases involving continuous data. In this work, we propose a novel method to solve the continuous MEC problem, using well-known generative diffusion models that learn to approximate and minimize the joint Entropy through a cooperative scheme, while satisfying a relaxed version of the marginal constraints. We empirically demonstrate that our method, DDMEC, is general and can be easily used to address challenging tasks, including unsupervised single-cell multi-omics data alignment and unpaired image translation, outperforming specialized methods.

Diffusion probabilistic models (DPMs) have recently demonstrated impressive generative capabilities. There is emerging evidence that their sample reconstruction ability can yield meaningful representations for recognition tasks. In this paper, we demonstrate that the objectives underlying generation and representation learning are not perfectly aligned. Through a spectral analysis, we find that minimizing the mean squared error (MSE) between the original graph and its reconstructed counterpart does not necessarily optimize representations for downstream tasks. Instead, focusing on reconstructing a small subset of features, specifically those capturing global information, proves to be more effective for learning powerful representations. Motivated by these insights, we propose a novel framework, the Smooth Diffusion Model for Graphs (SDMG), which introduces a multi-scale smoothing loss and low-frequency information encoders to promote the recovery of global, low-frequency details, while suppressing irrelevant high-frequency noise. Extensive experiments validate the effectiveness of our method, suggesting a promising direction for advancing diffusion models in graph representation learning.

Despite recent advancements in latent diffusion models that generate high-dimensional image data and perform various downstream tasks, there has been little exploration into perceptual consistency within these models on the task of No-Reference Image Quality Assessment (NR-IQA). In this paper, we hypothesize that latent diffusion models implicitly exhibit perceptually consistent local regions within the data manifold. We leverage this insight to guide on-manifold sampling using perceptual features and input measurements. Specifically, we propose Perceptual Manifold Guidance (PMG), an algorithm that utilizes pretrained latent diffusion models and perceptual quality features to obtain perceptually consistent multi-scale and multi-timestep feature maps from the denoising U-Net. We empirically demonstrate that these hyperfeatures exhibit high correlation with human perception in IQA tasks. Our method can be applied to any existing pretrained latent diffusion model and is straightforward to integrate. To the best of our knowledge, this paper is the first work on guiding diffusion model with perceptual features for NR-IQA. Extensive experiments on IQA datasets show that our method, LGDM, achieves state-of-the-art performance, underscoring the superior generalization capabilities of diffusion models for NR-IQA tasks.

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult for a diffusion model to connect raw data with highly complex conditions like natural language. To address this, here we present a novel latent diffusion model dubbed LDMol for text-conditioned molecule generation. By recognizing that the suitable latent space design is the key to the diffusion model performance, we employ a contrastive learning strategy to extract novel feature space from text data that embeds the unique characteristics of the molecule structure. Experiments show that LDMol outperforms the existing autoregressive baselines on the text-to-molecule generation benchmark, being one of the first diffusion models that outperforms autoregressive models in textual data generation with a better choice of the latent domain. Furthermore, we show that LDMol can be applied to downstream tasks such as molecule-to-text retrieval and text-guided molecule editing, demonstrating its versatility as a diffusion model.

Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant architectures limit the scalability and efficiency of diffusion models. In this paper, we propose an approach that relaxes such equivariance constraints. Specifically, our approach learns a sample-dependent SO(3) transformation for each molecule to construct an aligned latent space. A non-equivariant diffusion model is then trained over the aligned representations. Experimental results demonstrate that our approach performs significantly better than previously reported non-equivariant models. It yields sample quality comparable to state-of-the-art equivariant diffusion models and offers improved training and sampling efficiency. Our code is available at: https://github.com/skeletondyh/RADM

While denoising diffusion and flow matching have driven major advances in generative modeling, their application to tabular data remains limited, despite its ubiquity in real-world applications. To this end, we develop *TabbyFlow*, a variational Flow Matching (VFM) method for tabular data generation. To apply VFM to data with mixed continuous and discrete features, we introduce **Exponential Family Variational Flow Matching (EF-VFM)**, which represents heterogeneous data types using a general exponential family distribution. We hereby obtain an efficient, data-driven objective based on moment matching, enabling principled learning of probability paths over mixed continuous and discrete variables. We also establish a connection between variational flow matching and generalized flow matching objectives based on Bregman divergences. Evaluation on tabular data benchmarks demonstrates state-of-the-art performance compared to baselines.

Time-series forecasting finds application across domains such as finance, climate science, and energy systems. We introduce the Conditional Diffusion with Nonlinear Data Transformation Model (CN-Diff), a generative framework that employs novel nonlinear transformations and learnable conditions in the forward process for time series forecasting. A new loss formulation for training is proposed, along with a detailed derivation of both forward and reverse process. The new additions improve the diffusion model's capacity to capture complex time series patterns, thus simplifying the reverse process. Our novel condition facilitates learning an efficient prior distribution. This also reduces the gap between the true negative log-likelihood and its variational approximation. CN-Diff is shown to perform better than other leading time series models on nine real-world datasets. Ablation studies are conducted to elucidate the role of each component of CN-Diff.

Discrete Diffusion and Flow Matching models have significantly advanced generative modeling for discrete structures, including graphs. However, the dependencies of the noisy distributions across time of these models lead to error accumulation and propagation during the reverse denoising process—a phenomenon known as \emph{compounding denoising errors}. To address this problem, we propose a novel framework called \emph{Simple Iterative Denoising}, which simplifies discrete diffusion and circumvents the issue by removing dependencies on previous intermediate states in the noising process. Additionally, we enhance our model by incorporating a \emph{Critic}, which during generation selectively retains or corrupts elements in an instance based on their likelihood under the data distribution. Our empirical evaluations demonstrate that the proposed method significantly outperforms existing discrete diffusion baselines in graph generation tasks.

Implicit Neural Representations (INRs) represent data as continuous functions using the parameters of a neural network, where data information is encoded in the parameter space. Therefore, modeling the distribution of such parameters is crucial for building generalizable INRs. Existing approaches learn a joint distribution of these parameters via a latent vector to generate new data, but such a flat latent often fails to capture the inherent hierarchical structure of the parameter space, leading to entangled data semantics and limited control over the generation process. Here, we propose a **C**ontrollable **H**ierarchical **I**mplicit **N**eural **R**epresentation (**CHINR**) framework, which explicitly models conditional dependencies across layers in the parameter space. Our method consists of two stages: In Stage-1, we construct a Layers-of-Experts (LoE) network, where each layer modulates distinct semantics through a unique latent vector, enabling disentangled and expressive representations. In Stage-2, we introduce a Hierarchical Conditional Diffusion Model (HCDM) to capture conditional dependencies across layers, allowing for controllable and hierarchical data generation at various semantic granularities. Extensive experiments across different modalities demonstrate that CHINR improves generalizability and offers flexible hierarchical control over the generated content.

The popularity of visual generative AI models like DALL-E 3, Stable Diffusion XL, Stable Video Diffusion, and Sora has been increasing. Through extensive evaluation, we discovered that the state-of-the-art visual generative models can generate content that bears a striking resemblance to characters protected by intellectual property rights held by major entertainment companies (such as Sony, Marvel, and Nintendo), which raises potential legal concerns. This happens when the input prompt contains the character's name or even just descriptive details about their characteristics. To mitigate such IP infringement problems, we also propose a defense method against it. In detail, we develop a revised generation paradigm that can identify potentially infringing generated content and prevent IP infringement by utilizing guidance techniques during the diffusion process. It has the capability to recognize generated content that may be infringing on intellectual property rights, and mitigate such infringement by employing guidance methods throughout the diffusion process without retrain or fine-tune the pretrained models. Experiments on well-known character IPs like Spider-Man, Iron Man, and Superman demonstrate the effectiveness of the proposed defense method.