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cs.LG2026
A Residual-Shell-Based Lower Bound for Ollivier-Ricci Curvature
Xiang Gu, Huichun Zhang, Jian Sun
Ollivier-Ricci curvature (ORC), defined via the Wasserstein distance that captures rich geometric information, has received growing attention in both theory and applications. Howev…
cs.LG2025
Generating transition states of chemical reactions via distance-geometry-based flow matching
Yufei Luo, Xiang Gu, Jian Sun
Transition states (TSs) are crucial for understanding reaction mechanisms, yet their exploration is limited by the complexity of experimental and computational approaches. Here we…
cs.LG2025
Joint Velocity-Growth Flow Matching for Single-Cell Dynamics Modeling
Dongyi Wang, Yuanwei Jiang, Zhenyi Zhang +3
Learning the underlying dynamics of single cells from snapshot data has gained increasing attention in scientific and machine learning research. The destructive measurement techniq…