Projective Preferential Bayesian Optimization. - Petrus Mikkola; Milica Todorovic; Jari Järvi; Patrick Rinke; Samuel Kaski (ICML, 2020)

Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization. - Annika Stuke; Patrick Rinke; Milica Todorovic (Mach. Learn. Sci. Technol., 2021)

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. - Lincan Fang; Xiaomi Guo; Milica Todorovic; Patrick Rinke; Xi Chen (J. Chem. Inf. Model., 2023)

Active Learning of Molecular Data for Task-Specific Objectives. - Kunal Ghosh; Milica Todorovic; Aki Vehtari; Patrick Rinke (CoRR, 2024)