Search Results for author: Nathan Urban

Found 3 papers, 2 papers with code

Multi-Objective Latent Space Optimization of Generative Molecular Design Models

1 code implementation1 Mar 2022 A N M Nafiz Abeer, Nathan Urban, M Ryan Weil, Francis J. Alexander, Byung-Jun Yoon

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired properties.

Relationship-aware Multivariate Sampling Strategy for Scientific Simulation Data

no code implementations31 Aug 2020 Subhashis Hazarika, Ayan Biswas, Phillip J. Wolfram, Earl Lawrence, Nathan Urban

With the increasing computational power of current supercomputers, the size of data produced by scientific simulations is rapidly growing.

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