通过自环和并行边调节图谱,揭示异质图上GNN性能变化的内在机制。
Learning from Heterophilic Graphs: A Spectral Theory Perspective on the Impact of Self-Loops and Parallel Edges
- 引入自环与并行边调控图拉普拉斯谱,分析其对GNN的影响。
- 添加自环提升性能,增加并行边则导致性能下降或波动。
- 无需计算特征值即可通过模型表现反推图结构特性,适合图学习研究者。
图异质性给消息传递图神经网络(MP-GNNs)带来严峻挑战,如图卷积网络(GCNs)等低通滤波器因混合不相似邻居信息而性能下降。本文通过在异质图中添加自环和并行边,发现图拉普拉斯矩阵的特征值分别随之减小和增大。我们在多个基准异质图数据集上测试了加入自环或并行边对GCN性能的影响,结果表明:增加自环通常提升性能,而增加并行边则可能降低或波动性能。基于这些现象,我们建立了图谱特性与低通滤波器性能趋势之间的联系。图谱能刻画连通分量、稀疏性、平均度、聚类结构等图的内在属性。本工作可无需进行昂贵的特征值分解,仅通过观察模型性能变化,便能有效评估图谱与图属性。文中还讨论了理论基础,验证了自环与并行边对图谱的影响。
原文摘要 · Abstract (English)
Graph heterophily poses a formidable challenge to the performance of Message-passing Graph Neural Networks (MP-GNNs). The familiar low-pass filters like Graph Convolutional Networks (GCNs) face performance degradation, which can be attributed to the blending of the messages from dissimilar neighboring nodes. The performance of the low-pass filters on heterophilic graphs still requires an in-depth analysis. In this context, we update the heterophilic graphs by adding a number of self-loops and parallel edges. We observe that eigenvalues of the graph Laplacian decrease and increase respectively by increasing the number of self-loops and parallel edges. We conduct several studies regarding the performance of GCN on various benchmark heterophilic networks by adding either self-loops or parallel edges. The studies reveal that the GCN exhibited either increasing or decreasing performance trends on adding self-loops and parallel edges. In light of the studies, we established connections between the graph spectra and the performance trends of the low-pass filters on the heterophilic graphs. The graph spectra characterize the essential intrinsic properties of the input graph like the presence of connected components, sparsity, average degree, cluster structures, etc. Our work is adept at seamlessly evaluating graph spectrum and properties by observing the performance trends of the low-pass filters without pursuing the costly eigenvalue decomposition. The theoretical foundations are also discussed to validate the impact of adding self-loops and parallel edges on the graph spectrum.
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