Positive and Unlabeled Materials Machine Learning
PUMML is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.
Construct a dataset of materials with quantum mechanical simulations using high-performance computing resources.
Develop a semi-supervised ML model to predict a "synthesizability" score for materials.
Identify most interesting materials with high synthesizability for laboratory experiments.
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Nathan C. Frey
University of Pennsylvania Materials Science PhD candidate. https://about.me/ncfrey
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