169 citations · 298 across the 7 of their papers we have counts for
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stat.ML2020★ 69 cited
Olympus: a benchmarking framework for noisy optimization and experiment planning
Florian Häse, Matteo Aldeghi, Riley J. Hickman +5
Research challenges encountered across science, engineering, and economics can frequently be formulated as optimization tasks. In chemistry and materials science, recent growth in…
stat.ML2020★ 169 cited
Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge
Florian Häse, Matteo Aldeghi, Riley J. Hickman +2
Designing functional molecules and advanced materials requires complex design choices: tuning continuous process parameters such as temperatures or flow rates, while simultaneously…