A Bayesian regularized regression with Bayesian information criterion feature selection predicts configurational energies of refractory high entropy alloys with held-out RMSE around 0.6 meV, and ensemble sampling across supercell sizes improves accuracy and stability.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2019 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Robust data-driven approach for predicting the configurational energy of high entropy alloys
A Bayesian regularized regression with Bayesian information criterion feature selection predicts configurational energies of refractory high entropy alloys with held-out RMSE around 0.6 meV, and ensemble sampling across supercell sizes improves accuracy and stability.