A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.
Molnar ,\ @noop title Interpretable Machine Learning \ ( publisher Lulu.com ,\ address Morisville, North Carolina ,\ year 2020 ) NoStop
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Machine learning evaluation of structural descriptors for supercooled water
A neural-network temperature classification task plus XAI is used to benchmark 16 structural descriptors for their ability to capture temperature-dependent local order in supercooled water.