2 papers
cond-mat.mtrl-sci2020
Benchmarking Materials Property Prediction Methods: The Matbench Test Set and Automatminer Reference Algorithm
Alexander Dunn, Qi Wang, Alex Ganose +2
We present a benchmark test suite and an automated machine learning procedure for evaluating supervised machine learning (ML) models for predicting properties of inorganic bulk mat…
cond-mat.mtrl-sci2020
A critical examination of compound stability predictions from machine-learned formation energies
Christopher J. Bartel, Amalie Trewartha, Qi Wang +3
Machine learning has emerged as a novel tool for the efficient prediction of materials properties, and claims have been made that machine-learned models for the formation energy of…