7 papers · 1 filter
Building informative materials datasets beyond targeted objectives
Rafael Espinosa Castañeda, Ashley Dale, Hongchen Wang +6
Materials science data collection can be expensive, making the reuse and long-term utility of datasets critical important for future discovery campaigns. In practice, researchers p…
High-throughput validation of phase formability and simulation accuracy of Cantor alloys
Changjun Cheng, Daniel Persaud, Kangming Li +7
High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast composit…
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…
Accurate and efficient predictions of keyhole dynamics in laser materials processing using machine learning-aided simulations
Jiahui Zhang, Runbo Jiang, Kangming Li +11
The keyhole phenomenon has been widely observed in laser materials processing, including laser welding, remelting, cladding, drilling, and additive manufacturing. Keyhole-induced d…
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction
Andre Niyongabo Rubungo, Kangming Li, Jason Hattrick-Simpers +1
Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based ma…
An Assessment of Commonly Used Equivalent Circuit Models for Corrosion Analysis: A Bayesian Approach to Electrochemical Impedance Spectroscopy
Runze Zhang, Debashish Sur, Kangming Li +5
Electrochemical Impedance Spectroscopy (EIS) is a crucial technique for assessing corrosion of a metallic materials. The analysis of EIS hinges on the selection of an appropriate e…