Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge

  title={Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge},
  author={Florian Hase and Matteo Aldeghi and Riley J. Hickman and Lo{\"i}c M. Roch and Al{\'a}n Aspuru-Guzik},
Florian Häse, 2, 3, 4, ∗ Matteo Aldeghi, 3, 4 Riley J. Hickman, 4 Löıc M. Roch, 3, 4, 5 and Alán Aspuru-Guzik 3, 4, 6, † Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, 02138, USA Vector Institute for Artificial Intelligence, Toronto, ON M5S 1M1, Canada Department of Computer Science, University of Toronto, Toronto, ON M5S 3H6, Canada Department of Chemistry, University of Toronto, Toronto, ON M5S 3H6, Canada Atinary Technologies Sàrl, 1006 Lausanne… 

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