Going beyond persistent homology using persistent homology
Johanna Immonen Amauri H. Souza Vikas Garg
Representational limits of message-passing graph neural networks (MP-GNNs),
e.g., in terms of the Weisfeiler-Leman (WL) test for isomorphism, are well
understood. Augmenting these graph models with topological features via
persistent homology (PH) has gained prominence, but identifying the class of
attributed graphs that PH can recognize remains open. We introduce a novel
concept of color-separating sets to provide a complete resolution to this
important problem. Specifically, we establish the necessary and sufficient
conditions for distinguishing graphs based on the persistence of their
connected components, obtained from filter functions on vertex and edge colors.
Our constructions expose the limits of vertex- and edge-level PH, proving that
neither category subsumes the other. Leveraging these theoretical insights, we
propose RePHINE for learning topological features on graphs. RePHINE
efficiently combines vertex- and edge-level PH, achieving a scheme that is
provably more powerful than both. Integrating RePHINE into MP-GNNs boosts their
expressive power, resulting in gains over standard PH on several benchmarks for
graph classification.