Timezone: »
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Author Information
Hao Yuan (Texas A&M University)
Haiyang Yu (Texas A&M University)
Jie Wang (University of Science and Technology of China)
Kang Li (Rutgers)
Shuiwang Ji (Texas A&M University)
Related Events (a corresponding poster, oral, or spotlight)
-
2021 Spotlight: On Explainability of Graph Neural Networks via Subgraph Explorations »
Wed. Jul 21st 02:25 -- 02:30 AM Room
More from the Same Authors
-
2022 Poster: Generating 3D Molecules for Target Protein Binding »
Meng Liu · Youzhi Luo · Kanji Uchino · Koji Maruhashi · Shuiwang Ji -
2022 Poster: GraphFM: Improving Large-Scale GNN Training via Feature Momentum »
Haiyang Yu · Limei Wang · Bokun Wang · Meng Liu · Tianbao Yang · Shuiwang Ji -
2022 Spotlight: GraphFM: Improving Large-Scale GNN Training via Feature Momentum »
Haiyang Yu · Limei Wang · Bokun Wang · Meng Liu · Tianbao Yang · Shuiwang Ji -
2022 Oral: Generating 3D Molecules for Target Protein Binding »
Meng Liu · Youzhi Luo · Kanji Uchino · Koji Maruhashi · Shuiwang Ji -
2022 Poster: Self-Supervised Representation Learning via Latent Graph Prediction »
Yaochen Xie · Zhao Xu · Shuiwang Ji -
2022 Spotlight: Self-Supervised Representation Learning via Latent Graph Prediction »
Yaochen Xie · Zhao Xu · Shuiwang Ji -
2021 Poster: GraphDF: A Discrete Flow Model for Molecular Graph Generation »
Youzhi Luo · Keqiang Yan · Shuiwang Ji -
2021 Spotlight: GraphDF: A Discrete Flow Model for Molecular Graph Generation »
Youzhi Luo · Keqiang Yan · Shuiwang Ji