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In this work, we simulate a sequential learning (SL)-guided materials discovery process and demonstrate a decoupling between traditional model error metrics and model performance in guiding materials discoveries.
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Christopher K. H. Borg
Eric S. Muckley
Clara Nyby
Digital Discovery
Argonne National Laboratory
SLAC National Accelerator Laboratory
Citrine Informatics (United States)
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Borg et al. (Sun,) studied this question.
www.synapsesocial.com/papers/6a06d27ee0d1b213ed8417d4 — DOI: https://doi.org/10.1039/d2dd00113f