A New Perspective on the Effects of Spectrum in Graph Neural Networks

14 Dec 2021  ·  Mingqi Yang, Yanming Shen, Rui Li, Heng Qi, Qiang Zhang, BaoCai Yin ·

Many improvements on GNNs can be deemed as operations on the spectrum of the underlying graph matrix, which motivates us to directly study the characteristics of the spectrum and their effects on GNN performance. By generalizing most existing GNN architectures, we show that the correlation issue caused by the $unsmooth$ spectrum becomes the obstacle to leveraging more powerful graph filters as well as developing deep architectures, which therefore restricts GNNs' performance. Inspired by this, we propose the correlation-free architecture which naturally removes the correlation issue among different channels, making it possible to utilize more sophisticated filters within each channel. The final correlation-free architecture with more powerful filters consistently boosts the performance of learning graph representations. Code is available at https://github.com/qslim/gnn-spectrum.

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Results from the Paper


Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Graph Classification ENZYMES Norm-GN Accuracy 73.33 # 3
Graph Classification NCI1 Norm-GN Accuracy 84.87% # 13
Graph Classification NCI109 Spec-GN Accuracy 83.62 # 6
Graph Classification PTC Spec-GN Accuracy 68.05% # 16
Graph Regression ZINC-500k Spec-GN MAE 0.0698 # 5

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