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Recently, generative graph models have shown promising results in learning graph representations through self-supervised methods. However, most existing generative graph representation learning (GRL) approaches rely on random masking across…

Machine Learning · Computer Science 2026-05-08 Xinyue Hu , Zhibin Duan , Xinyang Liu , Yuxin Li , Bo Chen , Chaojie Wang , Yilin He , Hongwei Liu , Mingyuan Zhou

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

Disentangled representation learning has recently attracted a significant amount of attention, particularly in the field of image representation learning. However, learning the disentangled representations behind a graph remains largely…

Machine Learning · Computer Science 2020-06-11 Xiaojie Guo , Liang Zhao , Zhao Qin , Lingfei Wu , Amarda Shehu , Yanfang Ye

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

The (variational) graph auto-encoder is widely used to learn representations for graph-structured data. However, the formation of real-world graphs is a complicated and heterogeneous process influenced by latent factors. Existing encoders…

Machine Learning · Computer Science 2024-07-17 Di Fan , Chuanhou Gao

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Machine Learning · Computer Science 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent…

Machine Learning · Computer Science 2022-11-11 Changmin Yu , Hugo Soulat , Neil Burgess , Maneesh Sahani

Graph representation learning is a fundamental problem for modeling relational data and benefits a number of downstream applications. Traditional Bayesian-based graph models and recent deep learning based GNN either suffer from…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Qingchao Kong , Wenji Mao

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Deep generative models have achieved great success in areas such as image, speech, and natural language processing in the past few years. Thanks to the advances in graph-based deep learning, and in particular graph representation learning,…

Machine Learning · Computer Science 2021-01-01 Faezeh Faez , Yassaman Ommi , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

In many applications of finance, biology and sociology, complex systems involve entities interacting with each other. These processes have the peculiarity of evolving over time and of comprising latent factors, which influence the system…

Machine Learning · Statistics 2018-08-03 Federico Tomasi , Veronica Tozzo , Saverio Salzo , Alessandro Verri

Spatiotemporal graph represents a crucial data structure where the nodes and edges are embedded in a geometric space and can evolve dynamically over time. Nowadays, spatiotemporal graph data is becoming increasingly popular and important,…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Hengning Cao , Yanfang Ye , Liang Zhao

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

While a wide range of interpretable generative procedures for graphs exist, matching observed graph topologies with such procedures and choices for its parameters remains an open problem. Devising generative models that closely reproduce…

Machine Learning · Computer Science 2019-11-11 Niklas Stoehr , Emine Yilmaz , Marc Brockschmidt , Jan Stuehmer

Deep generative models (DGMs) for graphs achieve impressively high expressive power thanks to very efficient and scalable neural networks. However, these networks contain non-linearities that prevent analytical computation of many standard…

Machine Learning · Computer Science 2025-08-12 Martin Rektoris , Milan Papež , Václav Šmídl , Tomáš Pevný

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

Deep generative models like variational autoencoders approximate the intrinsic geometry of high dimensional data manifolds by learning low-dimensional latent-space variables and an embedding function. The geometric properties of these…

Computer Vision and Pattern Recognition · Computer Science 2019-02-20 Ankita Shukla , Shagun Uppal , Sarthak Bhagat , Saket Anand , Pavan Turaga

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

Recent years have witnessed tremendous interest in deep learning on graph-structured data. Due to the high cost of collecting labeled graph-structured data, domain adaptation is important to supervised graph learning tasks with limited…

Machine Learning · Computer Science 2021-06-15 Ruichu Cai , Fengzhu Wu , Zijian Li , Pengfei Wei , Lingling Yi , Kun Zhang

Deep Generative Models (DGMs) are versatile tools for learning data representations while adequately incorporating domain knowledge such as the specification of conditional probability distributions. Recently proposed DGMs tackle the…

Machine Learning · Computer Science 2024-01-30 Romain Lopez , Jan-Christian Huetter , Ehsan Hajiramezanali , Jonathan Pritchard , Aviv Regev
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