3 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…
cond-mat.mtrl-sci2019
A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses
Qi Wang, Anubhav Jain
When metallic glasses (MGs) are subjected to mechanical loads, the plastic response of atoms is non-uniform. However, the extent and manner in which atomic environment signatures p…