Uncertainty quantification in molecular property prediction through spherical mixture density networks
Wentao Fan, Lidan Zeng, Tian Wang
Topics & Concepts
Computer scienceProbabilistic logicProperty (philosophy)Uncertainty quantificationRepresentation (politics)Kernel density estimationMachine learningAlgorithmData miningArtificial intelligenceStatisticsMathematicsEstimatorPolitical sciencePhilosophyLawEpistemologyPoliticsComputational Drug Discovery MethodsMachine Learning in Materials ScienceAnalytical Chemistry and Chromatography