4 papers
Regression with Large Language Models for Materials and Molecular Property Prediction
Ryan Jacobs, Maciej P. Polak, Lane E. Schultz +3
We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case.…
Effects of Yttrium Doping on Oxygen Conductivity in Ba(Fe, Co, Zr, Y)O_{3-δ} Cathode Materials for Proton Ceramic Fuel Cells
Chiyoung Kim, Ryan Jacobs, Jack H. Duffy +3
Proton ceramic fuel cells (PCFCs) achieve high efficiency at reduced operating temperatures, but their performance is often limited by slow oxygen reduction reaction (ORR) kinetics…
A General Approach for Determining Applicability Domain of Machine Learning Models
Lane E. Schultz, Yiqi Wang, Ryan Jacobs +1
Knowledge of the domain of applicability of a machine learning model is essential to ensuring accurate and reliable model predictions. In this work, we develop a new and general ap…
Predicting Performance of Object Detection Models in Electron Microscopy Using Random Forests
Ni Li, Ryan Jacobs, Matthew Lynch +3
Quantifying prediction uncertainty when applying object detection models to new, unlabeled datasets is critical in applied machine learning. This study introduces an approach to es…