Personalized versus Generic Mood Prediction Models in Bipolar Disorder. - Marios Constantinides; Jonas Busk; Aleksandar Matic; Maria Faurholt-Jepsen; Lars Vedel Kessing; Jakob E. Bardram (UbiComp/ISWC Adjunct, 2018)

Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials. - Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Jonas Busk; Ole Winther (CoRR, 2022)

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT. - Surajit Nandi; Jonas Busk; Peter Bjørn Jørgensen; Tejs Vegge; Arghya Bhowmik (J. Chem. Inf. Model., 2022)

Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks. - Jonas Busk; Peter Bjørn Jørgensen; Arghya Bhowmik; Mikkel N. Schmidt; Ole Winther; Tejs Vegge (Mach. Learn. Sci. Technol., 2022)

Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces. - Jonas Busk; Mikkel N. Schmidt; Ole Winther; Tejs Vegge; Peter Bjørn Jørgensen (CoRR, 2023)

Coherent energy and force uncertainty in deep learning force fields. - Peter Bjørn Jørgensen; Jonas Busk; Ole Winther; Mikkel N. Schmidt (CoRR, 2023)