29 citations · 29 across the 5 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
cond-mat.mtrl-sci2024
Ice phase classification made easy with score-based denoising
Hong Sun, Sebastien Hamel, Tim Hsu +3
Accurate identification of ice phases is essential for understanding various physicochemical phenomena. However, such classification for structures simulated with molecular dynamic…
cond-mat.mtrl-sci2024★ 29 cited
Model-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory
Daniel Schwalbe-Koda, Sebastien Hamel, Babak Sadigh +2
An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification…