Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages. - Giulio Imbalzano; Yongbin Zhuang; Venkat Kapil; Kevin Rossi; Edgar A. Engel; Federico Grasselli; Michele Ceriotti (CoRR, 2020)

The role of feature space in atomistic learning. - Alexander Goscinski; Guillaume Fraux; Giulio Imbalzano; Michele Ceriotti (Mach. Learn. Sci. Technol., 2021)