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Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Graph machine learning has been widely explored in various domains, such as community detection, transaction analysis, and recommendation systems. In these applications, anomaly detection plays an important role. Recently, studies have…

Machine Learning · Computer Science 2025-11-21 Wei Herng Choong , Jixing Liu , Ching-Yu Kao , Philip Sperl

Link prediction is one of the key problems for graph-structured data. With the advancement of graph neural networks, graph autoencoders (GAEs) and variational graph autoencoders (VGAEs) have been proposed to learn graph embeddings in an…

Machine Learning · Computer Science 2021-09-14 Seong Jin Ahn , Myoung Ho Kim

Graph simulation has recently received a surge of attention in graph processing and analytics. In real-life applications, e.g. social science, biology, and chemistry, many graphs are composed of a series of evolving graphs (i.e., temporal…

Machine Learning · Computer Science 2025-10-08 Sheng Xiang , Chenhao Xu , Dawei Cheng , Xiaoyang Wang , Ying Zhang

We propose GraphNVP, the first invertible, normalizing flow-based molecular graph generation model. We decompose the generation of a graph into two steps: generation of (i) an adjacency tensor and (ii) node attributes. This decomposition…

Machine Learning · Statistics 2019-05-29 Kaushalya Madhawa , Katushiko Ishiguro , Kosuke Nakago , Motoki Abe

Graphs are ubiquitous in real-world scenarios and encompass a diverse range of tasks, from node-, edge-, and graph-level tasks to transfer learning. However, designing specific tasks for each type of graph data is often costly and lacks…

Machine Learning · Computer Science 2024-03-22 Yulan Hu , Sheng Ouyang , Zhirui Yang , Ge Chen , Junchen Wan , Xiao Wang , Yong Liu

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

Machine Learning · Computer Science 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. We investigate the power of GCNs, as a function of their number of layers, to distinguish between different random graph models on the basis of…

Machine Learning · Statistics 2020-02-14 Abram Magner , Mayank Baranwal , Alfred O. Hero

We present a generative neural network which enables us to generate plausible 3D indoor scenes in large quantities and varieties, easily and highly efficiently. Our key observation is that indoor scene structures are inherently…

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…

Machine Learning · Computer Science 2023-11-15 Harry Bendekgey , Gabriel Hope , Erik B. Sudderth

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

Models of human motion commonly focus either on trajectory prediction or action classification but rarely both. The marked heterogeneity and intricate compositionality of human motion render each task vulnerable to the data degradation and…

Computer Vision and Pattern Recognition · Computer Science 2022-06-08 Anthony Bourached , Robert Gray , Xiaodong Guan , Ryan-Rhys Griffiths , Ashwani Jha , Parashkev Nachev

In this work, we propose a new generative model that is capable of automatically decoupling global and local representations of images in an entirely unsupervised setting, by embedding a generative flow in the VAE framework to model the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-17 Xuezhe Ma , Xiang Kong , Shanghang Zhang , Eduard Hovy

Graph representation learning is a fundamental research issue in various domains of applications, of which the inductive learning problem is particularly challenging as it requires models to generalize to unseen graph structures during…

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

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

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

This paper reviews graph convolutional neural networks (GCNNs) through the lens of edge-variant graph filters. The edge-variant graph filter is a finite order, linear, and local recursion that allows each node, in each iteration, to weigh…

Machine Learning · Computer Science 2019-03-05 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Graph Neural Networks (GNNs) and Variational Autoencoders (VAEs) have been widely used in modeling and generating graphs with latent factors. However, there is no clear explanation of what these latent factors are and why they perform well.…

Machine Learning · Computer Science 2020-11-19 Jia Li , Tomasyu Yu , Jiajin Li , Honglei Zhang , Kangfei Zhao , YU Rong , Hong Cheng , Junzhou Huang
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