WOMBAT: Whitebox Oracle for Molecular Benchmarking and Attribution Testing
When a graph neural network (GNN) explainer produces an unexpected attribution on a molecule, the attribution alone cannot reveal whether the explainer has failed or the model has learned a shortcut. We introduce WOMBAT, a benchmark of 14 whitebox GNNs, each with message-passing weights set by hand to detect a specific...
Dominik Matuszek, Bartosz Zielinski, T. Danel et al.
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