TY - JOUR
T1 - Graph Neural Networks Use Graphs When They Shouldn't
AU - Bechler-Speicher, Maya
AU - Amos, Ido
AU - Gilad-Bachrach, Ran
AU - Globerson, Amir
N1 - Publisher Copyright:
Copyright 2024 by the author(s)
PY - 2024
Y1 - 2024
N2 - Predictions over graphs play a crucial role in various domains, including social networks and medicine. Graph Neural Networks (GNNs) have emerged as the dominant approach for learning on graph data. Although a graph-structure is provided as input to the GNN, in some cases the best solution can be obtained by ignoring it. While GNNs have the ability to ignore the graph-structure in such cases, it is not clear that they will. In this work, we show that GNNs actually tend to overfit the given graph-structure. Namely, they use it even when a better solution can be obtained by ignoring it. We analyze the implicit bias of gradient-descent learning of GNNs and prove that when the ground truth function does not use the graphs, GNNs are not guaranteed to learn a solution that ignores the graph, even with infinite data. We examine this phenomenon with respect to different graph distributions and find that regular graphs are more robust to this overfitting. We also prove that within the family of regular graphs, GNNs are guaranteed to extrapolate when learning with gradient descent. Finally, based on our empirical and theoretical findings, we demonstrate on real-data how regular graphs can be leveraged to reduce graph overfitting and enhance performance.
AB - Predictions over graphs play a crucial role in various domains, including social networks and medicine. Graph Neural Networks (GNNs) have emerged as the dominant approach for learning on graph data. Although a graph-structure is provided as input to the GNN, in some cases the best solution can be obtained by ignoring it. While GNNs have the ability to ignore the graph-structure in such cases, it is not clear that they will. In this work, we show that GNNs actually tend to overfit the given graph-structure. Namely, they use it even when a better solution can be obtained by ignoring it. We analyze the implicit bias of gradient-descent learning of GNNs and prove that when the ground truth function does not use the graphs, GNNs are not guaranteed to learn a solution that ignores the graph, even with infinite data. We examine this phenomenon with respect to different graph distributions and find that regular graphs are more robust to this overfitting. We also prove that within the family of regular graphs, GNNs are guaranteed to extrapolate when learning with gradient descent. Finally, based on our empirical and theoretical findings, we demonstrate on real-data how regular graphs can be leveraged to reduce graph overfitting and enhance performance.
UR - http://www.scopus.com/inward/record.url?scp=85203831629&partnerID=8YFLogxK
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AN - SCOPUS:85203831629
SN - 2640-3498
VL - 235
SP - 3284
EP - 3304
JO - Proceedings of Machine Learning Research
JF - Proceedings of Machine Learning Research
T2 - 41st International Conference on Machine Learning, ICML 2024
Y2 - 21 July 2024 through 27 July 2024
ER -