Search Results for author: Bernd Ensing

Found 2 papers, 2 papers with code

Multi-objective optimization via equivariant deep hypervolume approximation

1 code implementation5 Oct 2022 Jim Boelrijk, Bernd Ensing, Patrick Forré

We also apply and compare our methods to state-of-the-art multi-objective BO methods and EAs on a range of synthetic benchmark test cases.

Bayesian Optimization Evolutionary Algorithms

Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths

1 code implementation NeurIPS 2023 Lars Holdijk, Yuanqi Du, Ferry Hooft, Priyank Jaini, Bernd Ensing, Max Welling

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e. g. a folded and unfolded protein or products and reactants of a chemical reaction.

Dimensionality Reduction

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