Tree Mover's Distance: Bridging Graph Metrics and Stability of Graph Neural Networks

Ching Yao Chuang, Stefanie Jegelka

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

3 Scopus citations

Abstract

Understanding generalization and robustness of machine learning models fundamentally relies on assuming an appropriate metric on the data space. Identifying such a metric is particularly challenging for non-Euclidean data such as graphs. Here, we propose a pseudometric for attributed graphs, the Tree Mover's Distance (TMD), and study its relation to generalization. Via a hierarchical optimal transport problem, TMD reflects the local distribution of node attributes as well as the distribution of local computation trees, which are known to be decisive for the learning behavior of graph neural networks (GNNs). First, we show that TMD captures properties relevant to graph classification: a simple TMD-SVM performs competitively with standard GNNs. Second, we relate TMD to generalization of GNNs under distribution shifts, and show that it correlates well with performance drop under such shifts. The code is available at https://github.com/chingyaoc/TMD.

Original languageEnglish
Title of host publicationAdvances in Neural Information Processing Systems 35 - 36th Conference on Neural Information Processing Systems, NeurIPS 2022
EditorsS. Koyejo, S. Mohamed, A. Agarwal, D. Belgrave, K. Cho, A. Oh
PublisherNeural information processing systems foundation
ISBN (Electronic)9781713871088
StatePublished - 2022
Externally publishedYes
Event36th Conference on Neural Information Processing Systems, NeurIPS 2022 - New Orleans, United States
Duration: 28 Nov 20229 Dec 2022

Publication series

NameAdvances in Neural Information Processing Systems
Volume35
ISSN (Print)1049-5258

Conference

Conference36th Conference on Neural Information Processing Systems, NeurIPS 2022
Country/TerritoryUnited States
CityNew Orleans
Period28/11/229/12/22

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