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Found 3 papers, 1 papers with code
Conditional Neural Processes for Molecules
Neural processes (NPs) are models for transfer learning with properties reminiscent of Gaussian Processes (GPs).
Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation
Bayesian optimisation is a sample-efficient search methodology that holds great promise for accelerating drug and materials discovery programs.
Antifragile and Robust Heteroscedastic Bayesian Optimisation
Bayesian Optimisation is an important decision-making tool for high-stakes applications in drug discovery and materials design.
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