Search Results for author: Christopher D. Stiles

Found 2 papers, 0 papers with code

Evaluating the diversity and utility of materials proposed by generative models

no code implementations9 Aug 2023 Alexander New, Michael Pekala, Elizabeth A. Pogue, Nam Q. Le, Janna Domenico, Christine D. Piatko, Christopher D. Stiles

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures.

Property Prediction

Curvature-informed multi-task learning for graph networks

no code implementations2 Aug 2022 Alexander New, Michael J. Pekala, Nam Q. Le, Janna Domenico, Christine D. Piatko, Christopher D. Stiles

Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws of physics.

Band Gap Multi-Task Learning

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