Characterizing metastable states with the help of machine learning. - Pietro Novelli; Luigi Bonati; Massimiliano Pontil; Michele Parrinello (CoRR, 2022)

Transfer learning for atomistic simulations using GNNs and kernel mean embeddings. - John Isak Texas Falk; Luigi Bonati; Pietro Novelli; Michele Parrinello; Massimiliano Pontil (NeurIPS, 2023)

Self-Supervised Evolution Operator Learning for High-Dimensional Dynamical Systems. - Giacomo Turri; Luigi Bonati; Kai Zhu; Massimiliano Pontil; Pietro Novelli (CoRR, 2025)