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Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…

Machine Learning · Computer Science 2018-06-26 Jiaxuan You , Rex Ying , Xiang Ren , William L. Hamilton , Jure Leskovec

Diffusion models typically generate data through a fixed denoising trajectory that is shared across all samples. However, generation targets can differ in complexity, suggesting that a single pre-defined diffusion process may not be optimal…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Yucheng Xing , Xiaodong Liu , Xin Wang

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

Graph diffusion models achieve state-of-the-art performance in graph generation but suffer from quadratic complexity in the number of nodes -- and much of their capacity is wasted modeling the absence of edges in sparse graphs. Inspired by…

Machine Learning · Computer Science 2026-05-13 Antoine Siraudin , Christopher Morris

A graph embedding is a representation of graph vertices in a low-dimensional space, which approximately preserves properties such as distances between nodes. Vertex sequence-based embedding procedures use features extracted from linear…

Machine Learning · Computer Science 2020-01-22 Benedek Rozemberczki , Rik Sarkar

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

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Changyou Chen , Han Ding , Bunyamin Sisman , Yi Xu , Ouye Xie , Benjamin Z. Yao , Son Dinh Tran , Belinda Zeng

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

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which…

Machine Learning · Computer Science 2023-06-01 Nathaniel Diamant , Alex M. Tseng , Kangway V. Chuang , Tommaso Biancalani , Gabriele Scalia

Given a set of graphs from some unknown family, we want to generate new graphs from that family. Recent methods use diffusion on either graph embeddings or the discrete space of nodes and edges. However, simple changes to embeddings (say,…

Machine Learning · Computer Science 2026-05-08 Rahul Nandakumar , Deepayan Chakrabarti

Denoising diffusion probabilistic models and score-matching models have proven to be very powerful for generative tasks. While these approaches have also been applied to the generation of discrete graphs, they have, so far, relied on…

Machine Learning · Computer Science 2023-08-17 Kilian Konstantin Haefeli , Karolis Martinkus , Nathanaël Perraudin , Roger Wattenhofer

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive…

Denoising diffusion models represent a recent emerging topic in computer vision, demonstrating remarkable results in the area of generative modeling. A diffusion model is a deep generative model that is based on two stages, a forward…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Mubarak Shah

We propose a new family of efficient and expressive deep generative models of graphs, called Graph Recurrent Attention Networks (GRANs). Our model generates graphs one block of nodes and associated edges at a time. The block size and…

Generating graph-structured data is a challenging problem, which requires learning the underlying distribution of graphs. Various models such as graph VAE, graph GANs, and graph diffusion models have been proposed to generate meaningful and…

Machine Learning · Computer Science 2024-04-16 Tianze Luo , Zhanfeng Mo , Sinno Jialin Pan

This work introduces NetDiff, an expressive graph denoising diffusion probabilistic architecture that generates wireless ad hoc network link topologies. Such networks, with directional antennas, can achieve unmatched performance when the…

Social and Information Networks · Computer Science 2024-10-14 Félix Marcoccia , Cédric Adjih , Paul Mühlethaler

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

We introduce U-shaped encoder-decoder graph neural networks (U-GNNs) for stochastic graph signal generation using denoising diffusion processes. The architecture learns node features at different resolutions with skip connections between…

Machine Learning · Computer Science 2025-09-23 Yigit Berkay Uslu , Samar Hadou , Sergio Rozada , Shirin Saeedi Bidokhti , Alejandro Ribeiro

Diffusion models represent a class of generative models that produce data by denoising a sample corrupted by white noise. Despite the success of diffusion models in computer vision, audio synthesis, and point cloud generation, so far they…

Statistical Mechanics · Physics 2025-01-17 Kanta Masuki , Yuto Ashida