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Related papers: DeFoG: Discrete Flow Matching for Graph Generation

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Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

Denoising models such as Diffusion or Flow Matching have recently advanced generative modeling for discrete structures, yet most approaches either operate directly in the discrete state space, causing abrupt state changes. We introduce…

Machine Learning · Computer Science 2026-03-31 Yoann Boget , Alexandros Kalousis

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as…

Machine Learning · Computer Science 2024-05-24 Yiming Qin , Clement Vignac , Pascal Frossard

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this…

Machine Learning · Computer Science 2024-11-06 Itai Gat , Tal Remez , Neta Shaul , Felix Kreuk , Ricky T. Q. Chen , Gabriel Synnaeve , Yossi Adi , Yaron Lipman

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Denoising generative models, such as diffusion and flow-based models, produce high-quality samples but require many denoising steps due to discretization error. Flow maps, which estimate the average velocity between timesteps, mitigate this…

Computer Vision and Pattern Recognition · Computer Science 2025-10-29 Kyungmin Lee , Sihyun Yu , Jinwoo Shin

Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient…

Machine Learning · Computer Science 2026-05-19 Chenrui Ma , Xi Xiao , Lin Zhao , Tianyang Wang , Ferdinando Fioretto , Yanning Shen

Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applications, we often have access to large, expensively trained…

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing…

Machine Learning · Computer Science 2026-03-06 Keyue Jiang , Jiahao Cui , Xiaowen Dong , Laura Toni

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

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use…

Biomolecules · Quantitative Biology 2024-05-01 Ian Dunn , David Ryan Koes

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives

Deep generative models have made rapid progress in image, text, audio, and video generation, and are increasingly being applied to structured records. For tabular data, however, generative modeling remains difficult: a dataset may contain…

Machine Learning · Computer Science 2026-05-25 Zhong Li , Qi Huang , Lincen Yang , Jiayang Shi , Zhao Yang , Niki van Stein , Thomas Bäck , Matthijs van Leeuwen

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

Deep learning models have emerged as a powerful tool for various medical applications. However, their success depends on large, high-quality datasets that are challenging to obtain due to privacy concerns and costly annotation. Generative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Milad Yazdani , Yasamin Medghalchi , Pooria Ashrafian , Ilker Hacihaliloglu , Dena Shahriari

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our…

Machine Learning · Computer Science 2024-07-17 Hongyang Chen , Can Xu , Lingyu Zheng , Qiang Zhang , Xuemin Lin

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

The social graphs synthesized by the generative models are increasingly in demand due to data scarcity and concerns over user privacy. One of the key performance criteria for generating social networks is the fidelity to specified…

Social and Information Networks · Computer Science 2023-11-07 Jui-Yi Tsai , Ya-Wen Teng , Ho Chiok Yew , De-Nian Yang , Lydia Y. Chen