Open AccessAssessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization
Author(s) -
Zachary del Rosario,
Matthias Rupp,
Yoolhee Kim,
Erin Antono,
Julia Ling
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0006124
Subject(s) - computer science , machine learning , fidelity , artificial intelligence , pareto principle , function (biology) , active learning (machine learning) , data mining , mathematical optimization , mathematics , telecommunications , evolutionary biology , biology
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