8 citations · 8 across the 3 of their papers we have counts for
3 papers
Evaluating the diversity and utility of materials proposed by generative models
Alexander New, Michael Pekala, Elizabeth A. Pogue +4
Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art g…
Closed-loop machine learning for discovery of novel superconductors
Elizabeth A. Pogue, Alexander New, Kyle McElroy +15
The discovery of novel materials drives industrial innovation, although the pace of discovery tends to be slow due to the infrequency of "Eureka!" moments. These moments are typica…
Curvature-informed multi-task learning for graph networks
Alexander New, Michael J. Pekala, Nam Q. Le +3
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…