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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…
cond-mat.mtrl-sci2025★ 5 cited
Intrinsic Direct Air Capture
Austin McDannald, Daniel W. Siderius, Brian DeCost +2
We present new metrics to evaluate solid sorbent materials for Direct Air Capture (DAC). These new metrics provide a theoretical upper bound on CO2 captured per energy as well as a…