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Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search.
Shengli Jiang
Shiyi Qin
Reid C. Van Lehn
Prasanna Balaprakash
Victor M. Zavala
Published in:
CoRR (2023)
Keyphrases
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neural architecture
search algorithm
neural network
search space
feed forward
activation function
similarity measure
basis functions