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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

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

A graph is a very common and powerful data structure used for modeling communication and social networks. Models that generate graphs with arbitrary features are important basic technologies in repeated simulations of networks and…

Machine Learning · Computer Science 2023-09-06 Takahiro Yokoyama , Yoshiki Sato , Sho Tsugawa , Kohei Watabe

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Amarda Shehu , Liang Zhao

With the development of graph applications, generative models for graphs have been more crucial. Classically, stochastic models that generate graphs with a pre-defined probability of edges and nodes have been studied. Recently, some models…

Machine Learning · Computer Science 2023-04-07 Shohei Nakazawa , Yoshiki Sato , Kenji Nakagawa , Sho Tsugawa , Kohei Watabe

Graph learning algorithms have attained state-of-the-art performance on many graph analysis tasks such as node classification, link prediction, and clustering. It has, however, become hard to track the field's burgeoning progress. One…

Machine Learning · Computer Science 2022-04-05 Anton Tsitsulin , Benedek Rozemberczki , John Palowitch , Bryan Perozzi

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

We present an approach to synthesizing new graph structures from empirically specified distributions. The generative model is an auto-decoder that learns to synthesize graphs from latent codes. The graph synthesis model is learned jointly…

Machine Learning · Computer Science 2020-06-05 Sohil Atul Shah , Vladlen Koltun

Generative models for graphs have been actively studied for decades, and they have a wide range of applications. Recently, learning-based graph generation that reproduces real-world graphs has been attracting the attention of many…

Machine Learning · Computer Science 2023-04-07 Kohei Watabe , Shohei Nakazawa , Yoshiki Sato , Sho Tsugawa , Kenji Nakagawa

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

Learning to compose visual relationships from raw images in the form of scene graphs is a highly challenging task due to contextual dependencies, but it is essential in computer vision applications that depend on scene understanding.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Neau Maëlic , Paulo E. Santos , Anne-Gwenn Bosser , Cédric Buche

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

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

Scene graphs (SGs) represent objects and their relationships as structured graphs, enabling applications in image generation, robotics, and 3D understanding. Recent work suggests that conditioning image generation on scene graphs improves…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Rajalaxmi Rajagopalan , Romit Roy Choudhury

We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…

Machine Learning · Computer Science 2021-04-12 Joshua Mitton , Hans M. Senn , Klaas Wynne , Roderick Murray-Smith

Deep learning-based graph generation approaches have remarkable capacities for graph data modeling, allowing them to solve a wide range of real-world problems. Making these methods able to consider different conditions during the generation…

Machine Learning · Computer Science 2023-01-11 Faezeh Faez , Negin Hashemi Dijujin , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Conditional graph generation tasks involve training a model to generate a graph given a set of input conditions. Many previous studies employ autoregressive models to incrementally generate graph components such as nodes and edges. However,…

Machine Learning · Computer Science 2023-05-26 Jie Bu , Kazi Sajeed Mehrab , Anuj Karpatne
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