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Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node…

Machine Learning · Computer Science 2020-11-16 Yuxiang Ren , Bo Liu , Chao Huang , Peng Dai , Liefeng Bo , Jiawei Zhang

This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to…

Machine Learning · Computer Science 2019-07-23 Aravind Sankar , Xinyang Zhang , Kevin Chen-Chuan Chang

Graph-based semi-supervised learning is a fundamental machine learning problem, and has been well studied. Most studies focus on homogeneous networks (e.g. citation network, friend network). In the present paper, we propose the…

Social and Information Networks · Computer Science 2018-07-10 Cheng Ju , James Li , Bram Wasti , Shengbo Guo

Graph Neural Networks (GNNs) are widely used in graph representation learning. However, most GNN methods are designed for either homogeneous or heterogeneous graphs. In this paper, we propose a new model, Hop-Hop Relation-aware Graph Neural…

Machine Learning · Computer Science 2020-12-22 Li Zhang , Yan Ge , Haiping Lu

Graphs are widely used to encapsulate a variety of data formats, but real-world networks often involve complex node relations beyond only being pairwise. While hypergraphs and hierarchical graphs have been developed and employed to account…

Machine Learning · Computer Science 2024-02-21 Zehui Li , Xiangyu Zhao , Mingzhu Shen , Guy-Bart Stan , Pietro Liò , Yiren Zhao

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and…

Machine Learning · Computer Science 2021-09-22 Wenzheng Feng , Jie Zhang , Yuxiao Dong , Yu Han , Huanbo Luan , Qian Xu , Qiang Yang , Evgeny Kharlamov , Jie Tang

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

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Many real-world data can be represented as heterogeneous graphs with different types of nodes and connections. Heterogeneous graph neural network model aims to embed nodes or subgraphs into low-dimensional vector space for various…

Artificial Intelligence · Computer Science 2024-12-24 Xinjun Cai , Jiaxing Shang , Fei Hao , Dajiang Liu , Linjiang Zheng

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Under circumstances of heterophily, where nodes with different labels tend to be connected based on semantic meanings, Graph Neural Networks (GNNs) often exhibit suboptimal performance. Current studies on graph heterophily mainly focus on…

Machine Learning · Computer Science 2024-11-13 Yilun Zheng , Jiahao Xu , Lihui Chen

Heterogeneous graph neural networks (GNNs) have been successful in handling heterogeneous graphs. In existing heterogeneous GNNs, meta-path plays an essential role. However, recent work pointed out that simple homogeneous graph model…

Machine Learning · Computer Science 2024-12-17 Guanghui Zhu , Zhennan Zhu , Hongyang Chen , Chunfeng Yuan , Yihua Huang

Modern data analysis pipelines are becoming increasingly complex due to the presence of multi-view information sources. While graphs are effective in modeling complex relationships, in many scenarios a single graph is rarely sufficient to…

Machine Learning · Statistics 2019-04-02 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Huan Song , Andreas Spanias

Heterogeneous graph convolutional networks have gained great popularity in tackling various network analytical tasks on heterogeneous network data, ranging from link prediction to node classification. However, most existing works ignore the…

Social and Information Networks · Computer Science 2022-08-15 Pengyang Yu , Chaofan Fu , Yanwei Yu , Chao Huang , Zhongying Zhao , Junyu Dong

Node classification has gained significant importance in graph deep learning with real-world applications such as recommendation systems, drug discovery, and citation networks. Graph Convolutional Networks and Graph Transformers have…

Social and Information Networks · Computer Science 2025-04-04 Aman Singh , Shahid Shafi Dar , Ranveer Singh , Nagendra Kumar

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically…

Social and Information Networks · Computer Science 2020-07-07 Di Jin , Zhizhi Yu , Dongxiao He , Carl Yang , Philip S. Yu , Jiawei Han

Heterogeneous graph is a kind of data structure widely existing in real life. Nowadays, the research of graph neural network on heterogeneous graph has become more and more popular. The existing heterogeneous graph neural network algorithms…

Artificial Intelligence · Computer Science 2021-06-28 Xinliang Wu , Mengying Jiang , Guizhong Liu