图神经网络:方法和应用综述

Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun
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引用次数: 3407

摘要

许多学习任务都需要处理包含丰富元素间关系信息的图数据。建模物理系统、学习分子指纹、预测蛋白质界面和分类疾病都需要一个模型来从图输入中学习。在其他领域,如从文本和图像等非结构化数据中学习,对提取的结构(如句子的依赖树和图像的场景图)进行推理是一个重要的研究课题,也需要图推理模型。图神经网络(gnn)是一种通过在图节点之间传递消息来捕获图之间依赖关系的神经模型。近年来,图卷积网络(GCN)、图注意网络(GAT)、图循环网络(GRN)等gnn的变体在许多深度学习任务中展示了突破性的性能。在本研究中,我们提出了GNN模型的通用设计管道,并讨论了每个组件的变体,系统地对应用进行了分类,并提出了未来研究的四个开放性问题。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Graph neural networks: A review of methods and applications

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures (like the dependency trees of sentences and the scene graphs of images) is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are neural models that capture the dependence of graphs via message passing between the nodes of graphs. In recent years, variants of GNNs such as graph convolutional network (GCN), graph attention network (GAT), graph recurrent network (GRN) have demonstrated ground-breaking performances on many deep learning tasks. In this survey, we propose a general design pipeline for GNN models and discuss the variants of each component, systematically categorize the applications, and propose four open problems for future research.

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