Best practices for multi-fidelity Bayesian optimization in materials and molecular research
Victor Sabanza Gil, Riccardo Barbano, Daniel Pacheco Gutiérrez, Jeremy S. Luterbacher, José Miguel Hernández-Lobato, Philippe Schwaller, Loı̈c M. Roch
Topics & Concepts
Bayesian probabilityBayesian optimizationFidelityComputer scienceBest practiceData scienceMachine learningArtificial intelligencePolitical scienceTelecommunicationsLawMachine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Multi-Objective Optimization Algorithms