Here, we combine active-learning Bayesian optimization (BO) algorithms with quantum chemistry methods to address this challenge. Using cysteine as an example, we show that our procedure is both ...

Moreover, the intelligent manufacturing process has occupied the crucial position in promoting the transformation and upgrading of the manufacturing industry in China as the implementation ... the ...

With fixed scaling coefficients, we first design an efficient algorithm for optimal precoders ... which is solved by Bayesian optimization due to the black box nature of the mapping between these ...

Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge CB3 0AS, United Kingdom Cambridge Centre for Advanced Research and Education in Singapore, CARES Ltd., 1 CREATE ...