ICML 2025 论文列表

Density ratio estimation in high dimensions can be reframed as integrating a certain quantity, the time score, over probability paths which interpolate between the two densities. In practice, the time score has to be estimated based on samples from the two densities. However, existing methods for this problem remain computationally expensive and can yield inaccurate estimates. Inspired by recent advances in generative modeling, we introduce a novel framework for time score estimation, based on a conditioning variable. Choosing the conditioning variable judiciously enables a closed-form objective function. We demonstrate that, compared to previous approaches, our approach results in faster learning of the time score and competitive or better estimation accuracies of the density ratio on challenging tasks. Furthermore, we establish theoretical guarantees on the error of the estimated density ratio.

Text-to-image synthesis has witnessed remarkable advancements in recent years. Many attempts have been made to adopt text-to-image models to support multiple tasks. However, existing approaches typically require resource-intensive re-training or additional parameters to accommodate for the new tasks, which makes the model inefficient for on-device deployment. We propose *Multi-Task Upcycling* (MTU), a simple yet effective recipe that extends the capabilities of a pre-trained text-to-image diffusion model to support a variety of image-to-image generation tasks. MTU replaces Feed-Forward Network (FFN) layers in the diffusion model with smaller FFNs, referred to as *experts*, and combines them with a dynamic routing mechanism. To the best of our knowledge, MTU is the first multi-task diffusion modeling approach that seamlessly blends multi-tasking with on-device compatibility, by mitigating the issue of parameter inflation. We show that the performance of MTU is on par with the single-task fine-tuned diffusion models across several tasks including *image editing, super-resolution*, and *inpainting*, while maintaining similar latency and computational load (GFLOPs) as the single-task fine-tuned models.

In this paper, we present $Morse$, a simple dual-sampling framework for accelerating diffusion models losslessly. The key insight of Morse is to reformulate the iterative generation (from noise to data) process via taking advantage of fast jump sampling and adaptive residual feedback strategies. Specifically, Morse involves two models called $Dash$ and $Dot$ that interact with each other. The Dash model is just the pre-trained diffusion model of any type, but operates in a jump sampling regime, creating sufficient space for sampling efficiency improvement. The Dot model is significantly faster than the Dash model, which is learnt to generate residual feedback conditioned on the observations at the current jump sampling point on the trajectory of the Dash model, lifting the noise estimate to easily match the next-step estimate of the Dash model without jump sampling. By chaining the outputs of the Dash and Dot models run in a time-interleaved fashion, Morse exhibits the merit of flexibly attaining desired image generation performance while improving overall runtime efficiency. With our proposed weight sharing strategy between the Dash and Dot models, Morse is efficient for training and inference. Our method shows a lossless speedup of 1.78$\times$ to 3.31$\times$ on average over a wide range of sampling step budgets relative to 9 baseline diffusion models on 6 image generation tasks. Furthermore, we show that our method can be also generalized to improve the Latent Consistency Model (LCM-SDXL, which is already accelerated with consistency distillation technique) tailored for few-step text-to-image synthesis. The code and models are available at https://github.com/deep-optimization/Morse.

Significant achievements in personalization of diffusion models have been witnessed. Conventional tuning-free methods mostly encode multiple reference images by averaging or concatenating their image embeddings as the injection condition, but such an image-independent operation cannot perform interaction among images to capture consistent visual elements within multiple references. Although tuning-based approaches can effectively extract consistent elements within multiple images through the training process, it necessitates test-time finetuning for each distinct image group. This paper introduces EasyRef, a plug-and-play adaption method that empowers diffusion models to condition consistent visual elements (e.g., style and human facial identity, etc.) across multiple reference images under instruction controls. To effectively exploit consistent visual elements within multiple images, we leverage the multi-image comprehension and instruction-following capabilities of the multimodal large language model (MLLM), prompting it to capture consistent visual elements based on the instruction. Besides, injecting the MLLM's representations into the diffusion process through adapters can easily generalize to unseen domains. To mitigate computational costs and enhance fine-grained detail preservation, we introduce an efficient reference aggregation strategy and a progressive training scheme. Finally, we introduce MRBench, a new multi-reference image generation benchmark. Experimental results demonstrate EasyRef surpasses both tuning-free and tuning-based methods, achieving superior aesthetic quality and robust zero-shot generalization across diverse domains.

Consistency models imitate the multi-step sampling of score-based diffusion in a single forward pass of a neural network. They can be learned in two ways: consistency distillation and consistency training. The former relies on the true velocity field of the corresponding differential equation, approximated by a pre-trained neural network. In contrast, the latter uses a single-sample Monte Carlo estimate of this velocity field. The related estimation error induces a discrepancy between consistency distillation and training that, we show, still holds in the continuous-time limit. To alleviate this issue, we propose a novel flow that transports noisy data towards their corresponding outputs derived from a consistency model. We prove that this flow reduces the previously identified discrepancy and the noise-data transport cost. Consequently, our method not only accelerates consistency training convergence but also enhances its overall performance. The code is available at https://github.com/thibautissenhuth/consistency_GC.

Generative Flow Networks (GFNs) were initially introduced on directed non-acyclic graphs to sample from an unnormalized distribution density. Recent works have extended the theoretical framework for generative methods allowing more flexibility and enhancing application range. However, many challenges remain in training GFNs in continuous settings and for imitation learning (IL), including intractability of flow-matching loss, limited tests of non-acyclic training, and the need for a separate reward model in imitation learning. The present work proposes a family of generative flows called Ergodic Generative Flows (EGFs) which are used to address the aforementioned issues. First, we leverage ergodicity to build simple generative flows with finitely many globally defined transformations (diffeomorphisms) with universality guarantees and tractable flow-matching loss (FM loss). Second, we introduce a new loss involving cross-entropy coupled to weak flow-matching control, coined KL-weakFM loss. It is designed for IL training without a separate reward model. We evaluate IL-EGFs on toy 2D tasks and real-world datasets from NASA on the sphere, using the KL-weakFM loss. Additionally, we conduct toy 2D reinforcement learning experiments with a target reward, using the FM loss.

There is strong empirical evidence that the stateof-the-art diffusion modeling paradigm leads to models that memorize the training set, especially when the training set is small. Prior methods to mitigate the memorization problem often lead to decrease in image quality. Is it possible to obtain strong and creative generative models, i.e., models that achieve high generation quality and low memorization? Despite the current pessimistic landscape of results, we make significant progress in pushing the trade-off between fidelity and memorization. We first provide theoretical evidence that memorization in diffusion models is only necessary for denoising problems at low noise scales (usually used in generating high-frequency details). Using this theoretical insight, we propose a simple, principled method to train the diffusion models using noisy data at large noise scales. We show that our method significantly reduces memorization without decreasing the image quality, for both text-conditional and unconditional models and for a variety of data availability settings.

Conformal prediction provides a powerful framework for constructing distribution-free prediction regions with finite-sample coverage guarantees. While extensively studied in univariate settings, its extension to multi-output problems presents additional challenges, including complex output dependencies and high computational costs, and remains relatively underexplored. In this work, we present a unified comparative study of nine conformal methods with different multivariate base models for constructing multivariate prediction regions within the same framework. This study highlights their key properties while also exploring the connections between them. Additionally, we introduce two novel classes of conformity scores for multi-output regression that generalize their univariate counterparts. These scores ensure asymptotic conditional coverage while maintaining exact finite-sample marginal coverage. One class is compatible with any generative model, offering broad applicability, while the other is computationally efficient, leveraging the properties of invertible generative models. Finally, we conduct a comprehensive empirical evaluation across 13 tabular datasets, comparing all the multi-output conformal methods explored in this work. To ensure a fair and consistent comparison, all methods are implemented within a unified code base.

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.

We consider the problem of predicting perturbation effects via causal models. In many applications, it is a priori unknown which mechanisms of a system are modified by an external perturbation, even though the features of the perturbation are available. For example, in genomics, some properties of a drug may be known, but not their causal effects on the regulatory pathways of cells. We propose a generative intervention model (GIM) that learns to map these perturbation features to distributions over atomic interventions in a jointly-estimated causal model. Contrary to prior approaches, this enables us to predict the distribution shifts of unseen perturbation features while gaining insights about their mechanistic effects in the underlying data-generating process. On synthetic data and scRNA-seq drug perturbation data, GIMs achieve robust out-of-distribution predictions on par with unstructured approaches, while effectively inferring the underlying perturbation mechanisms, often better than other causal inference methods.

Conditional flow matching (CFM) stands out as an efficient, simulation-free approach for training flow-based generative models, achieving remarkable performance for data generation. However, CFM is insufficient to ensure accuracy in learning probability paths. In this paper, we introduce a new partial differential equation characterization for the error between the learned and exact probability paths, along with its solution. We show that the total variation between probability paths is bounded above by a combination of the CFM loss and an associated divergence loss. This theoretical insight leads to the design of a new objective function that simultaneously matches the flow and its divergence. Our new approach improves the performance of the flow-based generative model by a noticeable margin without significantly raising the computational cost. We showcase the advantages of this enhanced training approach over CFM on several important benchmark tasks, including generative modeling for dynamical systems, DNA sequences, and videos.

Predicting labels directly from data has been the standard in label learning tasks, e.g., supervised learning, where models often prioritize feature compression and extraction from inputs under the assumption that label information is less complex. However, recent prediction tasks often face predicting complex labels, exacerbating the challenge of learning mappings from learned features to high-fidelity label representations. To this end, we draw inspiration from the consistency training concept in generative consistency models and propose predictive consistency learning (PCL), a novel learning paradigm that decomposes the full label information into a progressive learning procedure, mitigating the label capture challenge. Besides data inputs, PCL additionally receives input from noise-perturbed labels as an additional reference, pursuing predictive consistency across different noise levels. It simultaneously learns the relationship between latent features and a spectrum of label information, which enables progressive learning for complex predictions and allows multi-step inference analogous to gradual denoising, thereby enhancing the prediction quality. Experiments on vision, text, and graph tasks show the superiority of PCL over conventional supervised training in complex label prediction tasks.

Graph diffusion generative models (GDGMs) have emerged as powerful tools for generating high-quality graphs. However, their broader adoption faces challenges in \emph{scalability and size generalization}. GDGMs struggle to scale to large graphs due to their high memory requirements, as they typically operate in the full graph space, requiring the entire graph to be stored in memory during training and inference. This constraint limits their feasibility for large-scale real-world graphs. GDGMs also exhibit poor size generalization, with limited ability to generate graphs of sizes different from those in the training data, restricting their adaptability across diverse applications. To address these challenges, we propose the stochastic block graph diffusion (SBGD) model, which refines graph representations into a block graph space. This space incorporates structural priors based on real-world graph patterns, significantly reducing memory complexity and enabling scalability to large graphs. The block representation also improves size generalization by capturing fundamental graph structures. Empirical results show that SBGD achieves significant memory improvements (up to 6$\times$) while maintaining comparable or even superior graph generation performance relative to state-of-the-art methods. Furthermore, experiments demonstrate that SBGD better generalizes to unseen graph sizes. The significance of SBGD extends beyond being a scalable and effective GDGM; \emph{it also exemplifies the principle of modularization in generative modelling, offering a new avenue for exploring generative models by decomposing complex tasks into more manageable components.}

Learning the site-specific distribution of the wireless channel within a particular environment of interest is essential to exploit the full potential of machine learning (ML) for wireless communications and radar applications. Generative modeling offers a promising framework to address this problem. However, existing approaches pose unresolved challenges, including the need for high-quality training data, limited generalizability, and a lack of physical interpretability. To address these issues, we combine the physics-related compressibility of wireless channels with generative modeling, in particular, sparse Bayesian generative modeling (SBGM), to learn the distribution of the underlying physical channel parameters. By leveraging the sparsity-inducing characteristics of SBGM, our methods can learn from compressed observations received by an access point (AP) during default online operation. Moreover, they are physically interpretable and generalize over system configurations without requiring retraining.

Leveraging long contexts is crucial for advanced AI systems, but attention computation poses a scalability challenge. While scaled dot-product attention (SDPA) exhibits token sparsity, i.e. only a few pivotal tokens significantly contribute to output, exploiting this sparsity remains challenging. Existing methods either suffer from quality degradation or require substantial additional resources. We show that identifying pivotal tokens is a Maximum Inner Product Search (MIPS) problem. However, existing MIPS solutions are not well-suited for SDPA, as they are not GPU-friendly and often underperform due to the separated query and key distributions. This paper introduces HashAttention, framing pivotal token identification as a recommendation problem. Given a query, HashAttention encodes keys and queries in Hamming space, capturing the required semantic similarity, using learned mapping functions. HashAttention efficiently identifies pivotal tokens for a given query using bitwise operations and computes attention using only these tokens, improving the overall attention efficiency. Trained on generic data, HashAttention reduces tokens used by up to $16\times$ with minimal quality loss, requiring only 32 bits of auxiliary memory per token. Sparsity can be further improved to $32\times$ through task-specific fine-tuning. On A100 GPU, at $32\times$ sparsity, incorporating HashAttention reduces attention latency by up to $4.3\times$ in GPT-FAST and $2.54\times$ in FlashDecode, and achieves up to $3.12\times$ higher throughput for GPT-FAST.

In this paper, we introduce a geometric framework to analyze memorization in diffusion models through the sharpness of the log probability density. We mathematically justify a previously proposed score-difference-based memorization metric by demonstrating its effectiveness in quantifying sharpness. Additionally, we propose a novel memorization metric that captures sharpness at the initial stage of image generation in latent diffusion models, offering early insights into potential memorization. Leveraging this metric, we develop a mitigation strategy that optimizes the initial noise of the generation process using a sharpness-aware regularization term.

Despite the remarkable success of diffusion models (DMs) in data generation, they exhibit specific failure cases with unsatisfactory outputs. We focus on one such limitation: the ability of DMs to learn hidden rules between image features. Specifically, for image data with dependent features ($\mathbf{x}$) and ($\mathbf{y}$) (e.g., the height of the sun ($\mathbf{x}$) and the length of the shadow ($\mathbf{y}$)), we investigate whether DMs can accurately capture the inter-feature rule ($p(\mathbf{y}|\mathbf{x})$). Empirical evaluations on mainstream DMs (e.g., Stable Diffusion 3.5) reveal consistent failures, such as inconsistent lighting-shadow relationships and mismatched object-mirror reflections. Inspired by these findings, we design four synthetic tasks with strongly correlated features to assess DMs' rule-learning abilities. Extensive experiments show that while DMs can identify coarse-grained rules, they struggle with fine-grained ones. Our theoretical analysis demonstrates that DMs trained via denoising score matching (DSM) exhibit constant errors in learning hidden rules, as the DSM objective is not compatible with rule conformity. To mitigate this, we introduce a common technique - incorporating additional classifier guidance during sampling, which achieves (limited) improvements. Our analysis reveals that the subtle signals of fine-grained rules are challenging for the classifier to capture, providing insights for future exploration.

Most current precipitation nowcasting methods aim to capture the underlying spatiotemporal dynamics of precipitation systems by minimizing the mean square error (MSE). However, these methods often neglect effective constraints on the data distribution, leading to unsatisfactory prediction accuracy and image quality, especially for long forecast sequences. To address this limitation, we propose a precipitation nowcasting model incorporating perceptual constraints. This model reformulates precipitation nowcasting as a posterior MSE problem under such constraints. Specifically, we first obtain the posteriori mean sequences of precipitation forecasts using a precipitation estimator. Subsequently, we construct the transmission between distributions using rectified flow. To enhance the focus on distant frames, we design a frame sampling strategy that gradually increases the corresponding weights. We theoretically demonstrate the reliability of our solution, and experimental results on two publicly available radar datasets demonstrate that our model is effective and outperforms current state-of-the-art models.

Inverse generation problems, such as denoising without ground truth observations, is a critical challenge in many scientific inquiries and real-world applications. While recent advances in generative models like diffusion models, conditional flow matching, and consistency models achieved impressive results by casting generation as denoising problems, they cannot be directly used for inverse generation without access to clean data. Here we introduce Inverse Flow (IF), a novel framework that enables using these generative models for inverse generation problems including denoising without ground truth. Inverse Flow can be flexibly applied to nearly any continuous noise distribution and allows complex dependencies. We propose two algorithms for learning Inverse Flows, Inverse Flow Matching (IFM) and Inverse Consistency Model (ICM). Notably, to derive the computationally efficient, simulation-free inverse consistency model objective, we generalized consistency training to any forward diffusion processes or conditional flows, which have applications beyond denoising. We demonstrate the effectiveness of IF on synthetic and real datasets, outperforming prior approaches while enabling noise distributions that previous methods cannot support. Finally, we showcase applications of our techniques to fluorescence microscopy and single-cell genomics data, highlighting IF's utility in scientific problems. Overall, this work expands the applications of powerful generative models to inversion generation problems.