3 papers
cs.LG2024
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…
cs.DL2024
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…
cs.LG2024
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…