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5 months ago

On the equivalence between graph isomorphism testing and function approximation with GNNs

Zhengdao Chen; Soledad Villar; Lei Chen; Joan Bruna

On the equivalence between graph isomorphism testing and function approximation with GNNs

Abstract

Graph Neural Networks (GNNs) have achieved much success on graph-structured data. In light of this, there have been increasing interests in studying their expressive power. One line of work studies the capability of GNNs to approximate permutation-invariant functions on graphs, and another focuses on the their power as tests for graph isomorphism. Our work connects these two perspectives and proves their equivalence. We further develop a framework of the expressive power of GNNs that incorporates both of these viewpoints using the language of sigma-algebra, through which we compare the expressive power of different types of GNNs together with other graph isomorphism tests. In particular, we prove that the second-order Invariant Graph Network fails to distinguish non-isomorphic regular graphs with the same degree. Then, we extend it to a new architecture, Ring-GNN, which succeeds in distinguishing these graphs and achieves good performances on real-world datasets.

Code Repositories

leichen2018/Ring-GNN
Official
pytorch

Benchmarks

BenchmarkMethodologyMetrics
graph-regression-on-zinc-500kRingGNN
MAE: 0.353

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On the equivalence between graph isomorphism testing and function approximation with GNNs | Papers | HyperAI