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A deep graph convolutional neural network architecture for graph classification

Graph Convolutional Networks (GCNs) are powerful deep learning methods for non-Euclidean structure data and achieve impressive performance in many fields. But most of the state-of-the-art GCN models are shallow structures with depths of no more than 3 to 4 layers, which greatly limits the ability of...

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Detalles Bibliográficos
Autores principales: Zhou, Yuchen, Huo, Hongtao, Hou, Zhiwen, Bu, Fanliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004633/
https://www.ncbi.nlm.nih.gov/pubmed/36897837
http://dx.doi.org/10.1371/journal.pone.0279604
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author Zhou, Yuchen
Huo, Hongtao
Hou, Zhiwen
Bu, Fanliang
author_facet Zhou, Yuchen
Huo, Hongtao
Hou, Zhiwen
Bu, Fanliang
author_sort Zhou, Yuchen
collection PubMed
description Graph Convolutional Networks (GCNs) are powerful deep learning methods for non-Euclidean structure data and achieve impressive performance in many fields. But most of the state-of-the-art GCN models are shallow structures with depths of no more than 3 to 4 layers, which greatly limits the ability of GCN models to extract high-level features of nodes. There are two main reasons for this: 1) Overlaying too many graph convolution layers will lead to the problem of over-smoothing. 2) Graph convolution is a kind of localized filter, which is easily affected by local properties. To solve the above problems, we first propose a novel general framework for graph neural networks called Non-local Message Passing (NLMP). Under this framework, very deep graph convolutional networks can be flexibly designed, and the over-smoothing phenomenon can be suppressed very effectively. Second, we propose a new spatial graph convolution layer to extract node multiscale high-level node features. Finally, we design an end-to-end Deep Graph Convolutional Neural Network II (DGCNNII) model for graph classification task, which is up to 32 layers deep. And the effectiveness of our proposed method is demonstrated by quantifying the graph smoothness of each layer and ablation studies. Experiments on benchmark graph classification datasets show that DGCNNII outperforms a large number of shallow graph neural network baseline methods.
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spelling pubmed-100046332023-03-11 A deep graph convolutional neural network architecture for graph classification Zhou, Yuchen Huo, Hongtao Hou, Zhiwen Bu, Fanliang PLoS One Research Article Graph Convolutional Networks (GCNs) are powerful deep learning methods for non-Euclidean structure data and achieve impressive performance in many fields. But most of the state-of-the-art GCN models are shallow structures with depths of no more than 3 to 4 layers, which greatly limits the ability of GCN models to extract high-level features of nodes. There are two main reasons for this: 1) Overlaying too many graph convolution layers will lead to the problem of over-smoothing. 2) Graph convolution is a kind of localized filter, which is easily affected by local properties. To solve the above problems, we first propose a novel general framework for graph neural networks called Non-local Message Passing (NLMP). Under this framework, very deep graph convolutional networks can be flexibly designed, and the over-smoothing phenomenon can be suppressed very effectively. Second, we propose a new spatial graph convolution layer to extract node multiscale high-level node features. Finally, we design an end-to-end Deep Graph Convolutional Neural Network II (DGCNNII) model for graph classification task, which is up to 32 layers deep. And the effectiveness of our proposed method is demonstrated by quantifying the graph smoothness of each layer and ablation studies. Experiments on benchmark graph classification datasets show that DGCNNII outperforms a large number of shallow graph neural network baseline methods. Public Library of Science 2023-03-10 /pmc/articles/PMC10004633/ /pubmed/36897837 http://dx.doi.org/10.1371/journal.pone.0279604 Text en © 2023 Zhou et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Zhou, Yuchen
Huo, Hongtao
Hou, Zhiwen
Bu, Fanliang
A deep graph convolutional neural network architecture for graph classification
title A deep graph convolutional neural network architecture for graph classification
title_full A deep graph convolutional neural network architecture for graph classification
title_fullStr A deep graph convolutional neural network architecture for graph classification
title_full_unstemmed A deep graph convolutional neural network architecture for graph classification
title_short A deep graph convolutional neural network architecture for graph classification
title_sort deep graph convolutional neural network architecture for graph classification
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004633/
https://www.ncbi.nlm.nih.gov/pubmed/36897837
http://dx.doi.org/10.1371/journal.pone.0279604
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