3 papers
cs.LG2025
Training-Free Active Learning Framework in Materials Science with Large Language Models
Hongchen Wang, Rafael Espinosa Castañeda, Jay R. Werber +3
Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-sta…
cond-mat.mtrl-sci2025
When Active Learning Fails, Uncalibrated Out of Distribution Uncertainty Quantification Might Be the Problem
Ashley S. Dale, Kangming Li, Brian DeCost +4
Efficiently and meaningfully estimating prediction uncertainty is important for exploration in active learning campaigns in materials discovery, where samples with high uncertainty…
cs.LG2025
Exploring the Limitations of kNN Noisy Feature Detection and Recovery for Self-Driving Labs
Qiuyu Shi, Kangming Li, Yao Fehlis +4
Self-driving laboratories (SDLs) have shown promise to accelerate materials discovery by integrating machine learning with automated experimental platforms. However, errors in the…