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雷达卡
Improving Molecular Graph Neural Network Explainability
with Orthonormalization and Induced Sparsity
Ryan Henderson 1 Djork-Arne Clevert 1 Floriane Montanari 1
Abstract However, the opaque nature of artificial neural networks
has long been a stumbling block for wider adoption. In
Rationalizing which parts of a molecule drive the particular, the difficulty in extracting a straightforward ra-
predic ...
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