Search Results for author: Michael Maser

Found 4 papers, 2 papers with code

MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models

no code implementations20 Jun 2023 Michael Maser, Natasa Tagasovska, Jae Hyeon Lee, Andrew Watkins

As we train our predictive models jointly with a conformer decoder, the new latent embeddings can be mapped to their corresponding inputs, which we call \textit{MoleCLUEs}, or (molecular) counterfactual latent uncertainty explanations \citep{antoran2020getting}.

counterfactual Decoder

BOtied: Multi-objective Bayesian optimization with tied multivariate ranks

1 code implementation1 Jun 2023 Ji Won Park, Nataša Tagasovska, Michael Maser, Stephen Ra, Kyunghyun Cho

Motivated by this link, we propose the Pareto-compliant CDF indicator and the associated acquisition function, BOtied.

Bayesian Optimization

Cannot find the paper you are looking for? You can Submit a new open access paper.