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Wei-Xue Li

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Jul 2026

Familywise Feature Importance Stability in Chemical and Materials Machine Learning

This work compares 26 feature importance pipelines spanning data-driven, model-based, and formula-based analyses on a metal-support interaction data set anchored by an explicit SISSO equation, and examines whether the same qualitative behavior recurs in high-entropy-alloy and halide perovskite data sets.

Ruilin Lai, Xiao-Tong Liu, Yuhang Wang et al. · 1 citation
Open access Jul 2026

Self-Organization of Alloy Catalysts into Selectively Active Ensembles

The active sites of alloy catalysts may emerge only under reaction conditions, yet how reactive atmospheres select these sites remains unresolved. Here, we reveal how reactive atmospheres reorganize complex alloy surfaces into functional active-state distributions by using a machine-learning-potential-accelerated multi...

Hong-Yue Wang, Hao Wang, Wei-Xue Li et al. · 0 citations

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