On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods. - Montgomery Bohde; Meng Liu 015; Alexandra Saxton; Shuiwang Ji (ICLR, 2024)

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction. - Keqiang Yan; Alexandra Saxton; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji (ICML, 2024)

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. - Xuan Zhang; Limei Wang; Jacob Helwig; Youzhi Luo; Cong Fu 003; Yaochen Xie; Meng Liu 015; Yuchao Lin; Zhao Xu 005; Keqiang Yan; Keir Adams; Maurice Weiler; et al. (Found. Trends Mach. Learn., 2025)