Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface
Sergei Manzhos, Manabu Ihara
Topics & Concepts
HyperparameterOverfittingGaussian processMathematicsKrigingHyperparameter optimizationRepresentation (politics)Basis (linear algebra)Kernel (algebra)Mathematical optimizationAlgorithmArtificial intelligenceComputer scienceGaussianStatisticsArtificial neural networkSupport vector machineGeometryPoliticsPhysicsCombinatoricsLawPolitical scienceQuantum mechanicsMachine Learning in Materials ScienceNuclear reactor physics and engineeringGaussian Processes and Bayesian Inference