• Corpus ID: 221640588

Bayesian Screening: Multi-test Bayesian Optimization Applied to in silico Material Screening

  title={Bayesian Screening: Multi-test Bayesian Optimization Applied to in silico Material Screening},
  author={James Hook and Calum Hand and Emma Whitfield},
We present new multi-test Bayesian optimization models and algorithms for use in large scale material screening applications. Our screening problems are designed around two tests, one expensive and one cheap. This paper differs from other recent work on multi-test Bayesian optimization through use of a flexible model that allows for complex, non-linear relationships between the cheap and expensive test scores. This additional modeling flexibility is essential in the material screening… 

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