Temporal Evaluation of Uncertainty Quantification Under Distribution Shift
Paper i proceeding, 2025
drug discovery
deep learning
molecular property prediction
uncertainty quantification
temporal evaluation
distribution shift
Författare
Emma Svensson
Johannes Kepler Universität Linz (JKU)
AstraZeneca AB
Hannah Rosa Friesacher
KU Leuven
AstraZeneca AB
Ádám Arany
KU Leuven
Lewis H. Mervin
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Chalmers, Data- och informationsteknik, Data Science och AI
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
03029743 (ISSN) 16113349 (eISSN)
Vol. 14894 LNCS 132-1489783031723803 (ISBN)
Lugano, Switzerland,
Ämneskategorier
Data- och informationsvetenskap
Biologiska vetenskaper
DOI
10.1007/978-3-031-72381-0_11