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Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures
Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures
2021
Marco Fronzi
Olexandr Isayev
David A. Winkler
Joseph G. Shapter
Amanda V. Ellis
Peter C. Sherrell
Nick A. Shepelin
Alexander Corletto
Michael J. Ford
Keywords:
Computer science
electronic properties
Band gap
Quantitative structure–activity relationship
Active learning (machine learning)
bayesian neural networks
Artificial intelligence
van der waals heterostructures
Robotics
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