Protocol to explain graph neural network predictions using an edge-centric Shapley value-based approach

Summary: Here we present EdgeSHAPer, a workflow for explaining graph neural networks by approximating Shapley values using Monte Carlo sampling. In this protocol, we describe steps to execute Python scripts for a chemical dataset from the original publication; however, this approach is also applicab...

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Bibliographic Details
Main Authors: Andrea Mastropietro, Giuseppe Pasculli, Jürgen Bajorath
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:STAR Protocols
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666166722007675