Skip to main content

Table 1 Performance of the optimizer with different acquisition functions on the Iridium photocatalysis data set

From: Robustness under parameter and problem domain alterations of Bayesian optimization methods for chemical reactions

Acquisition Function

#Runs finding global maximum

#Runs finding second-highest

Random

11

19

Expected Improvement

23

27

Thompson Sampling

19

28

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us