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Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks.…

Machine Learning · Computer Science 2024-11-05 Zhe Xu , Ruizhong Qiu , Yuzhong Chen , Huiyuan Chen , Xiran Fan , Menghai Pan , Zhichen Zeng , Mahashweta Das , Hanghang Tong

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Machine Learning · Computer Science 2023-08-29 Chengyi Liu , Wenqi Fan , Yunqing Liu , Jiatong Li , Hang Li , Hui Liu , Jiliang Tang , Qing Li

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

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

Deep generative models (DGMs) have recently demonstrated remarkable success in capturing complex probability distributions over graphs. Although their excellent performance is attributed to powerful and scalable deep neural networks, it is,…

Machine Learning · Computer Science 2025-03-18 Milan Papež , Martin Rektoris , Václav Šmídl , Tomáš Pevný

Diffusion models based on permutation-equivariant networks can learn permutation-invariant distributions for graph data. However, in comparison to their non-invariant counterparts, we have found that these invariant models encounter greater…

Machine Learning · Computer Science 2024-06-21 Qi Yan , Zhengyang Liang , Yang Song , Renjie Liao , Lele Wang

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

Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance…

Machine Learning · Computer Science 2024-12-04 Lingxiao Zhao , Xueying Ding , Leman Akoglu

It is challenging for generative models to learn a distribution over graphs because of the lack of permutation invariance: nodes may be ordered arbitrarily across graphs, and standard graph alignment is combinatorial and notoriously…

Social and Information Networks · Computer Science 2023-01-27 Kimia Shayestehfard , Dana Brooks , Stratis Ioannidis

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

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

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

Machine Learning · Computer Science 2019-10-18 Tony Duan , Juho Lee

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

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

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

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Machine Learning · Computer Science 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Machine Learning · Computer Science 2025-05-09 Dingshuo Chen , Shuchen Xue , Liuji Chen , Yingheng Wang , Qiang Liu , Shu Wu , Zhi-Ming Ma , Liang Wang
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