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图-图相似性网络

Graph-Graph Similarity Network.

作者信息

Yue Han, Hong Pengyu, Liu Hongfu

出版信息

IEEE Trans Neural Netw Learn Syst. 2024 Jul;35(7):9136-9146. doi: 10.1109/TNNLS.2022.3218936. Epub 2024 Jul 10.

DOI:10.1109/TNNLS.2022.3218936
PMID:36374897
Abstract

Graph learning aims to predict the label for an entire graph. Recently, graph neural network (GNN)-based approaches become an essential strand to learning low-dimensional continuous embeddings of entire graphs for graph label prediction. While GNNs explicitly aggregate the neighborhood information and implicitly capture the topological structure for graph representation, they ignore the relationships among graphs. In this article, we propose a graph-graph (G2G) similarity network to tackle the graph learning problem by constructing a SuperGraph through learning the relationships among graphs. Each node in the SuperGraph represents an input graph, and the weights of edges denote the similarity between graphs. By this means, the graph learning task is then transformed into a classical node label propagation problem. Specifically, we use an adversarial autoencoder to align embeddings of all the graphs to a prior data distribution. After the alignment, we design the G2G similarity network to learn the similarity between graphs, which functions as the adjacency matrix of the SuperGraph. By running node label propagation algorithms on the SuperGraph, we can predict the labels of graphs. Experiments on five widely used classification benchmarks and four public regression benchmarks under a fair setting demonstrate the effectiveness of our method.

摘要

图学习旨在预测整个图的标签。最近,基于图神经网络(GNN)的方法成为为图标签预测学习整个图的低维连续嵌入的重要方法。虽然GNN显式地聚合邻域信息并隐式地捕获图表示的拓扑结构,但它们忽略了图之间的关系。在本文中,我们提出了一种图-图(G2G)相似性网络,通过学习图之间的关系构建一个超图来解决图学习问题。超图中的每个节点代表一个输入图,边的权重表示图之间的相似性。通过这种方式,图学习任务就被转化为一个经典的节点标签传播问题。具体来说,我们使用对抗自编码器将所有图的嵌入与先验数据分布对齐。对齐之后,我们设计G2G相似性网络来学习图之间的相似性,它充当超图的邻接矩阵。通过在超图上运行节点标签传播算法,我们可以预测图的标签。在公平设置下对五个广泛使用的分类基准和四个公共回归基准进行的实验证明了我们方法的有效性。

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