3 papers
cs.LG2026
Topology-Aware Multiscale Mixture of Experts for Efficient Molecular Property Prediction
Long D. Nguyen, Kelin Xia, Binh P. Nguyen
Many molecular properties depend on 3D geometry, where non-covalent interactions, stereochemical effects, and medium- to long-range forces are determined by spatial distances and a…
cs.LG2025
A roadmap for curvature-based geometric data analysis and learning
Yasharth Yadav, Kelin Xia
Geometric data analysis and learning has emerged as a distinct and rapidly developing research area, increasingly recognized for its effectiveness across diverse applications. At t…
cs.LG2023
Graph Neural Networks with a Distribution of Parametrized Graphs
See Hian Lee, Feng Ji, Kelin Xia +1
Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, th…