Learning from multiple quantum chemical methods: Δ-learning, transfer learning, co-kriging, and beyond
Pavlo O. Dral, Tetiana Zubatiuk, Bao-Xin Xue
Topics & Concepts
Quantum chemicalKrigingTransfer of learningComputer scienceQuantumVariety (cybernetics)Machine learningQuantum chemistryArtificial intelligenceChemistryPhysicsQuantum mechanicsPhysical chemistryMoleculeElectrochemistryOrganic chemistryElectrodeMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry StudiesComputational Drug Discovery Methods