activity
20232026
most citedOn the redundancy in large material datasets: efficient and robust learning with less data

112 citations · 198 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2026

Materials Acceleration Platform for Electrochemistry: a Platform for Autonomous Electrochemistry

Daniel Persaud, Mike Werezak, Mark Xu +9

Corrosion testing is slow, labor-intensive, and sensitive to operator technique, limiting the generation of large, high-quality datasets for data-driven materials discovery. The Ma…

cond-mat.mtrl-sci2025

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…

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…

cond-mat.mtrl-sci2024★ 63 cited

Probing out-of-distribution generalization in machine learning for materials

Kangming Li, Andre Niyongabo Rubungo, Xiangyun Lei +5

Scientific machine learning (ML) endeavors to develop generalizable models with broad applicability. However, the assessment of generalizability is often based on heuristics. Here,…

cond-mat.mtrl-sci2023★ 23 cited

Reproducibility in Computational Materials Science: Lessons from 'A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials'

Daniel Persaud, Logan Ward, Jason Hattrick-Simpers

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards ope…

cond-mat.mtrl-sci2023★ 112 cited

On the redundancy in large material datasets: efficient and robust learning with less data

Kangming Li, Daniel Persaud, Kamal Choudhary +3

Extensive efforts to gather materials data have largely overlooked potential data redundancy. In this study, we present evidence of a significant degree of redundancy across multip…