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

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

29 May 2019NeurIPS 2019 12arXiv:1905.12560archive 2025-07-28

Zhengdao Chen, Soledad Villar, Lei Chen, Joan Bruna

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.

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Tasks

Graph RegressionIsomorphism Testing

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
Graph Regression ZINC-500k RingGNN MAE 0.353 #33 of 36 Archive leaderboard report

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