Details

Autor(en) / Beteiligte

• Shapeev, Alexander
• Gubaev, Konstantin
• Tsymbalov, Evgenii
• Podryabinkin, Evgeny
• Müller, Klaus-Robert
• Chmiela, Stefan
• Schütt, Kristof T.
• von Lilienfeld, O. Anatole
• Tsuda, Koji
• Tkatchenko, Alexandre

Titel

Active Learning and Uncertainty Estimation

Ist Teil von

• Machine Learning Meets Quantum Physics, p.309-329

Ort / Verlag

Cham: Springer International Publishing

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Active learning refers to collections of algorithms of systematically constructing the training dataset. It is closely related to uncertainty estimation—we, generally, do not need to train our model on samples on which our prediction already has low uncertainty. This chapter reviews active learning algorithms in the context of molecular modeling and illustrates their applications on practical problems.