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Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not…

We introduce a new graph diffusion model for small molecule generation, DMol, which outperforms the state-of-the-art DiGress model in terms of validity by roughly 1.5% across all benchmarking datasets while reducing the number of diffusion…

Machine Learning · Computer Science 2025-11-04 Peizhi Niu , Yu-Hsiang Wang , Vishal Rana , Chetan Rupakheti , Abhishek Pandey , Olgica Milenkovic

Controllable and realistic traffic simulation is critical for developing and verifying autonomous vehicles. Typical heuristic-based traffic models offer flexible control to make vehicles follow specific trajectories and traffic rules. On…

Robotics · Computer Science 2022-11-01 Ziyuan Zhong , Davis Rempe , Danfei Xu , Yuxiao Chen , Sushant Veer , Tong Che , Baishakhi Ray , Marco Pavone

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

Many real-world datasets, such as citation networks, social networks, and molecular structures, are naturally represented as heterogeneous graphs, where nodes belong to different types and have additional features. For example, in a…

Machine Learning · Computer Science 2026-02-05 Pallabee Das , Stefan Heindorf

Hypergraphs are powerful mathematical structures that can model complex, high-order relationships in various domains, including social networks, bioinformatics, and recommender systems. However, generating realistic and diverse hypergraphs…

Machine Learning · Computer Science 2026-03-11 Dorian Gailhard , Enzo Tartaglione , Lirida Naviner , Jhony H. Giraldo

Diffusion models have enabled remarkably high-quality medical image generation, yet it is challenging to enforce anatomical constraints in generated images. To this end, we propose a diffusion model-based method that supports…

Image and Video Processing · Electrical Eng. & Systems 2024-06-21 Nicholas Konz , Yuwen Chen , Haoyu Dong , Maciej A. Mazurowski

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the…

Machine Learning · Computer Science 2022-10-06 Xiaojie Guo , Liang Zhao

Graph generation is a fundamental problem in graph learning with broad applications across Web-scale systems, knowledge graphs, and scientific domains such as drug and material discovery. Recent approaches leverage diffusion models for…

Machine Learning · Computer Science 2026-03-18 Jiachi Zhao , Zehong Wang , Yamei Liao , Chuxu Zhang , Yanfang Ye

Diffusion models have demonstrated remarkable progress in image generation quality, especially when guidance is used to control the generative process. However, guidance requires a large amount of image-annotation pairs for training and is…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Vincent Tao Hu , David W Zhang , Yuki M. Asano , Gertjan J. Burghouts , Cees G. M. Snoek

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…

Machine Learning · Statistics 2021-05-28 Pietro Bongini , Monica Bianchini , Franco Scarselli

The problem of labeled graph generation is gaining attention in the Deep Learning community. The task is challenging due to the sparse and discrete nature of graph spaces. Several approaches have been proposed in the literature, most of…

Machine Learning · Computer Science 2021-07-20 Marco Podda , Davide Bacciu

Conditional image generation has paved the way for several breakthroughs in image editing, generating stock photos and 3-D object generation. This continues to be a significant area of interest with the rise of new state-of-the-art methods…

Computer Vision and Pattern Recognition · Computer Science 2022-05-10 Vedant Singh , Surgan Jandial , Ayush Chopra , Siddharth Ramesh , Balaji Krishnamurthy , Vineeth N. Balasubramanian

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary…

Machine Learning · Computer Science 2024-11-01 Giangiacomo Mercatali , Yogesh Verma , Andre Freitas , Vikas Garg

Representing data by means of graph structures identifies one of the most valid approach to extract information in several data analysis applications. This is especially true when multimodal datasets are investigated, as records collected…

Social and Information Networks · Computer Science 2022-10-18 Andrea Marinoni , Christian Jutten , Mark Girolami

Diffusion models have become a new SOTA generative modeling method in various fields, for which there are multiple survey works that provide an overall survey. With the number of articles on diffusion models increasing exponentially in the…

Machine Learning · Computer Science 2023-04-05 Mengchun Zhang , Maryam Qamar , Taegoo Kang , Yuna Jung , Chenshuang Zhang , Sung-Ho Bae , Chaoning Zhang

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…

We propose Context Diffusion, a diffusion-based framework that enables image generation models to learn from visual examples presented in context. Recent work tackles such in-context learning for image generation, where a query image is…

Computer Vision and Pattern Recognition · Computer Science 2025-07-24 Ivona Najdenkoska , Animesh Sinha , Abhimanyu Dubey , Dhruv Mahajan , Vignesh Ramanathan , Filip Radenovic

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard