4 papers
Synthesizing like a chemist: an iterative, feedback-driven loop for materials discovery
Fang Sheng, Steven B. Torrisi, Amanda Volk +4
Most computationally predicted materials are never synthesized because conventional synthesis optimization is slow, expertise-dependent, and iterative. Here we present a closed-loo…
Universal Workflow Language and Software Enables Geometric Learning and FAIR Scientific Protocol Reporting
Robert W. Epps, Amanda A. Volk, Robert R. White +3
The modern technological landscape has trended towards increased precision and greater digitization of information. However, the methods used to record and communicate scientific p…
Modeling Multi-Step Scientific Processes with Graph Transformer Networks
Amanda A. Volk, Robert W. Epps, Jeffrey G. Ethier +1
This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemi…
Pessimistic asynchronous sampling in high-cost Bayesian optimization
Amanda A. Volk, Kristofer G. Reyes, Jeffrey G. Ethier +1
Asynchronous Bayesian optimization is a recently implemented technique that allows for parallel operation of experimental systems and disjointed workflows. Contrasting with serial…