Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Enhancing Uncertainty Quantification in Molecular Machine Learning: A Comparative Study of Deep Evidential Regression and Ensembles with Posthoc Calibration
, Authors:
BIDHAN CHANDRA GARAIN, Max Pinheiro Jr., Matheus O. Bispo, Mario Barbatti
Version 1 posted 26 February 2025
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