Multi-objective Bayesian optimisation using <i>q</i> -noisy expected hypervolume improvement ( <i>q</i> NEHVI) for the Schotten–Baumann reaction
Jiyizhe Zhang, Naoto Sugisawa, Kobi Felton, Shinichiro Fuse, Alexei A. Lapkin
Abstract
Multi-objective Bayesian optimisation allows for finding trade-off solutions of the Schotten–Baumann reaction in a continuous flow. The effect of mixing efficiency on the fast reaction results in the complexity of the reaction space.
Topics & Concepts
Bayesian probabilityMixing (physics)Space (punctuation)Flow (mathematics)Mathematical optimizationComputer scienceMathematicsAlgorithmArtificial intelligencePhysicsGeometryOperating systemQuantum mechanicsInnovative Microfluidic and Catalytic Techniques InnovationMachine Learning in Materials ScienceProcess Optimization and Integration