Graph isomorphism network for materials property prediction along with explainability analysis
Jianping Xiao, Yang Li, Shuqun Wang
Topics & Concepts
Computer scienceDiscriminative modelEmbeddingSuiteVisualizationGraphGraph propertyTheoretical computer scienceGraph isomorphismData miningArtificial intelligenceMachine learningAlgorithmLine graphHistoryArchaeologyVoltage graphMachine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Graph Neural Networks