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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

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling. In this work we conduct a systematic comparison and theoretical analysis of different approaches to learning conditional…

Machine Learning · Computer Science 2021-11-29 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb , Christian Etmann

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

The design of novel molecules with desired properties is a key challenge in drug discovery and materials science. Traditional methods rely on trial-and-error, while recent deep learning approaches have accelerated molecular generation.…

Machine Learning · Computer Science 2025-03-10 Md Atik Ahamed , Qiang Ye , Qiang Cheng

Generative methods for graphs need to be sufficiently flexible to model complex dependencies between sets of nodes. At the same time, the generated graphs need to satisfy domain-dependent feasibility conditions, that is, they should not…

Machine Learning · Computer Science 2025-01-22 Stefan Mautner , Rolf Backofen , Fabrizio Costa

The structure of topology underpins much of the research on performance and robustness, yet available topology data are typically scarce, necessitating the generation of synthetic graphs with desired properties for testing or release. Prior…

Machine Learning · Computer Science 2025-12-24 Gongli Xi , Ye Tian , Mengyu Yang , Zhenyu Zhao , Yuchao Zhang , Xiangyang Gong , Xirong Que , Wendong Wang

Diffusion models have become a new generative paradigm for text generation. Considering the discrete categorical nature of text, in this paper, we propose GlyphDiffusion, a novel diffusion approach for text generation via text-guided image…

Computation and Language · Computer Science 2023-05-09 Junyi Li , Wayne Xin Zhao , Jian-Yun Nie , Ji-Rong Wen

Diffusion models have emerged as a dominant framework for generative modeling, but their mathematical foundations are often presented separately through diffusion probabilistic models, score-based modeling, stochastic differential…

Machine Learning · Computer Science 2026-05-29 Jiayi Fu , Yuxia Wang

Discrete diffusion models are a powerful, emerging paradigm for code generation. They construct programs through iterative refinement of partially corrupted token sequences and enable parallel token refinement. Importantly, this paradigm…

Computation and Language · Computer Science 2026-05-19 Lize Shao , Michael Cardei , Zichen Xie , Ferdinando Fioretto , Wenxi Wang

Conditional generative models represent a significant advancement in the field of machine learning, allowing for the controlled synthesis of data by incorporating additional information into the generation process. In this work we introduce…

Machine Learning · Statistics 2024-09-27 Hanwen Huang

Deep learning-based medical image processing algorithms require representative data during development. In particular, surgical data might be difficult to obtain, and high-quality public datasets are limited. To overcome this limitation and…

Image and Video Processing · Electrical Eng. & Systems 2024-04-05 Siyuan Mei , Fuxin Fan , Fabian Wagner , Mareike Thies , Mingxuan Gu , Yipeng Sun , Andreas Maier

Transporting between arbitrary distributions is a fundamental goal in generative modeling. Recently proposed diffusion bridge models provide a potential solution, but they rely on a joint distribution that is difficult to obtain in…

Machine Learning · Computer Science 2025-03-03 Jun Hyeong Kim , Seonghwan Kim , Seokhyun Moon , Hyeongwoo Kim , Jeheon Woo , Woo Youn Kim

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of…

Machine Learning · Computer Science 2024-11-01 Guande He , Kaiwen Zheng , Jianfei Chen , Fan Bao , Jun Zhu

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Predicting counterfactual distributions in complex dynamical systems is essential for scientific modeling and decision-making in domains such as public health and medicine. However, existing methods often rely on point estimates or purely…

Machine Learning · Computer Science 2025-09-15 Wenhao Mu , Zhi Cao , Mehmed Uludag , Alexander Rodríguez

Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) is a promising approach to ensure the generation of valid…

Machine Learning · Computer Science 2025-07-17 Alexia Jolicoeur-Martineau , Aristide Baratin , Kisoo Kwon , Boris Knyazev , Yan Zhang

Deep generative models have emerged as state-of-the-art for solving inverse problems, but applying them to inverse problems for PDEs, like electrical impedance tomography (EIT) remains challenging. Because physical domains are naturally…

Image and Video Processing · Electrical Eng. & Systems 2026-05-20 Giovanni S. Alberti , Damiana Lazzaro , Serena Morigi , Matteo Santacesaria , Shibo Wang

Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii)…

Machine Learning · Computer Science 2025-03-12 Yuchen Shen , Chenhao Zhang , Sijie Fu , Chenghui Zhou , Newell Washburn , Barnabás Póczos

Discrete Diffusion and Flow Matching models have significantly advanced generative modeling for discrete structures, including graphs. However, the dependencies between intermediate noisy states lead to error accumulation and propagation…

Machine Learning · Computer Science 2025-06-24 Yoann Boget

The Origin-Destination~(OD) networks provide an estimation of the flow of people from every region to others in the city, which is an important research topic in transportation, urban simulation, etc. Given structural regional urban…

Machine Learning · Computer Science 2023-06-12 Can Rong , Jingtao Ding , Zhicheng Liu , Yong Li