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Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires…

Machine Learning · Computer Science 2023-12-19 Yikai Liu , Tushar K. Ghosh , Guang Lin , Ming Chen

Score-based generative models (SGMs) have revolutionized the field of generative modeling, achieving unprecedented success in generating realistic and diverse content. Despite empirical advances, the theoretical basis for why optimizing the…

Machine Learning · Computer Science 2024-08-30 Gen Li , Yuling Yan

Accurate prediction with multimodal data-encompassing tabular, textual, and visual inputs or outputs-is fundamental to advancing analytics in diverse application domains. Traditional approaches often struggle to integrate heterogeneous data…

Machine Learning · Statistics 2025-03-11 Xinyu Tian , Xiaotong Shen

Diffusion models have achieved remarkable success in generative tasks but suffer from high computational costs due to their iterative sampling process and quadratic attention costs. Existing training-free acceleration strategies that reduce…

Machine Learning · Computer Science 2025-07-24 Ting Jiang , Yixiao Wang , Hancheng Ye , Zishan Shao , Jingwei Sun , Jingyang Zhang , Zekai Chen , Jianyi Zhang , Yiran Chen , Hai Li

Gait recognition offers a non-intrusive biometric solution by identifying individuals through their walking patterns. Although discriminative models have achieved notable success in this domain, the full potential of generative models…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Haijun Xiong , Bin Feng , Bang Wang , Xinggang Wang , Wenyu Liu

Diffusion models have shown promising results for a wide range of generative tasks with continuous data, such as image and audio synthesis. However, little progress has been made on using diffusion models to generate discrete symbolic music…

Sound · Computer Science 2023-10-24 Jincheng Zhang , György Fazekas , Charalampos Saitis

Diffusion models have emerged as powerful generative models for graph generation, yet their use for conditional graph generation remains a fundamental challenge. In particular, guiding diffusion models on graphs under arbitrary reward…

Machine Learning · Computer Science 2025-05-27 Victor M. Tenorio , Nicolas Zilberstein , Santiago Segarra , Antonio G. Marques

Diffusion models have recently emerged as a powerful framework for generative modeling. They consist of a forward process that perturbs input data with Gaussian white noise and a reverse process that learns a score function to generate…

We study the problem of generating graph signals from unknown distributions defined over given graphs, relevant to domains such as recommender systems or sensor networks. Our approach builds on generative diffusion models, which are well…

Machine Learning · Computer Science 2025-10-07 Sergio Rozada , Vimal K. B. , Andrea Cavallo , Antonio G. Marques , Hadi Jamali-Rad , Elvin Isufi

Discrete diffusion models (DMs) have achieved strong performance in language and other discrete domains, offering a compelling alternative to autoregressive modeling. Yet this performance typically depends on large training datasets,…

Machine Learning · Computer Science 2026-04-16 Julian Kleutgens , Claudio Battiloro , Lingkai Kong , Benjamin Grewe , Francesca Dominici , Mauricio Tec

Learning a categorical distribution comes with its own set of challenges. A successful approach taken by state-of-the-art works is to cast the problem in a continuous domain to take advantage of the impressive performance of the generative…

Machine Learning · Computer Science 2023-03-09 Florence Regol , Mark Coates

Diffusion models have recently shown great promise for generative modeling, outperforming GANs on perceptual quality and autoregressive models at density estimation. A remaining downside is their slow sampling time: generating high quality…

Machine Learning · Computer Science 2022-06-08 Tim Salimans , Jonathan Ho

Diffusion-based generative models have significantly advanced text-to-image synthesis, demonstrating impressive text comprehension and zero-shot generalization. These models refine images from random noise based on textual prompts, with…

Machine Learning · Computer Science 2025-05-16 Youcef Djenouri , Nassim Belmecheri , Tomasz Michalak , Jan Dubiński , Ahmed Nabil Belbachir , Anis Yazidi

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Discrete diffusion models form a powerful class of generative models across diverse domains, including text and graphs. However, existing approaches face fundamental limitations. Masked diffusion models suffer from irreversible errors due…

Machine Learning · Computer Science 2026-04-21 Marcel Kollovieh , Sirine Ayadi , Stephan Günnemann

Diffusion models have shown promise in learning to solve constraint optimization problems. However, they are mostly restricted to problems with binary variables and rely on graph neural networks, hindering their application to a broader…

Machine Learning · Computer Science 2026-05-26 Yudong W. Xu , Wenhao Li , Xiaoyu Wang , Scott Sanner , Elias B. Khalil

Diffusion probabilistic models have recently achieved remarkable success in generating high quality image and video data. In this work, we build on this class of generative models and introduce a method for lossy compression of high…

Computer Vision and Pattern Recognition · Computer Science 2023-03-30 Noor Fathima Ghouse , Jens Petersen , Auke Wiggers , Tianlin Xu , Guillaume Sautière

Conditional diffusion models are powerful generative models that can leverage various types of conditional information, such as class labels, segmentation masks, or text captions. However, in many real-world scenarios, conditional…

Computer Vision and Pattern Recognition · Computer Science 2025-02-19 Nicolas Dufour , Victor Besnier , Vicky Kalogeiton , David Picard

Generative models have been widely studied in computer vision. Recently, diffusion models have drawn substantial attention due to the high quality of their generated images. A key desired property of image generative models is the ability…

Computer Vision and Pattern Recognition · Computer Science 2022-12-20 Qiucheng Wu , Yujian Liu , Handong Zhao , Ajinkya Kale , Trung Bui , Tong Yu , Zhe Lin , Yang Zhang , Shiyu Chang

Urban scene reconstruction from real-world observations has emerged as a powerful tool for self-driving development and testing. While current neural rendering approaches achieve high-fidelity rendering along the recorded trajectories,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-22 Henry Che , Jingkang Wang , Yun Chen , Ze Yang , Sivabalan Manivasagam , Raquel Urtasun
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