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High-dimensional Bayesian optimization of 23 hyperparameters over 100 iterations for an attention-based network to predict materials property: A case study on CrabNet using Ax platform and SAASBO

Sterling G. Baird, Marianne Liu, Taylor D. Sparks

2022Computational Materials Science27 citationsDOI

Topics & Concepts

HyperparameterProperty (philosophy)Bayesian optimizationBayesian networkComputer scienceBayesian probabilityArtificial intelligenceMaterials scienceEpistemologyPhilosophyMachine Learning in Materials ScienceComputational Drug Discovery Methods
High-dimensional Bayesian optimization of 23 hyperparameters over 100 iterations for an attention-based network to predict materials property: A case study on CrabNet using Ax platform and SAASBO | Litcius