Jonas Busk

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 7

Top Topics

Linear Regression

Message Passing

Top Venues

UbiComp/ISWC Adjunct

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

Peter Bjørn Jørgensen, Jonas Busk, Ole Winther, Mikkel N. Schmidt
Coherent energy and force uncertainty in deep learning force fields. CoRR (2023)
Jonas Busk, Mikkel N. Schmidt, Ole Winther, Tejs Vegge, Peter Bjørn Jørgensen
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces. CoRR (2023)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Jonas Busk, Ole Winther
Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials. CoRR (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks. Mach. Learn. Sci. Technol. 3 (1) (2022)
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT. J. Chem. Inf. Model. 62 (19) (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks. CoRR (2021)
Marios Constantinides, Jonas Busk, Aleksandar Matic, Maria Faurholt-Jepsen, Lars Vedel Kessing, Jakob E. Bardram
Personalized versus Generic Mood Prediction Models in Bipolar Disorder. UbiComp/ISWC Adjunct (2018)