Academic Profile : Faculty

Asst Prof Xia Kelin.jpg picture
Assoc Prof Xia Kelin
Associate Professor, School of Physical & Mathematical Sciences - Division of Mathematical Sciences
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Dr. XIA obtained his PhD degree from the Chinese Academy of Sciences in Jan 2013. He was a visiting scholar at the Department of Mathematics, Michigan State University from Dec 2009- Dec 2012. From Jan 2013 to May 2016, he worked as a visiting assistant professor at Michigan State University. He joined Nanyang Technological University in Jun 2016.
My group focuses on Mathematical AI for Molecular Sciences. We use computational tools from PDE, differential geometry, algebraic topology and statistical learning to study the material, chemical and biomolecular structure, flexibility, dynamics, and functions. In particular, we are interested in topological data analysis (TDA) and generalized persistent models (including weighted persistent homology, persistent Ricci curvature, persistent spectral, etc), TDA-based machine learning/deep learning models, and their applications in perovskite design, catalyst design, polymer design, drug design, biomolecular interaction analysis, chromosome structure analysis, and more generally molecular data analysis from materials, chemistry, and biology.
 
  • Hodge Laplacian based deep learning models for drug design
  • Indoor air microbiomes as a gateway to exposome-guided precision medicine for respiratory disease
  • Machine-Learning-Assisted Topological and Geometrical Data Analysis of Extreme Events in Complex Systems
  • Ricci curvature based deep learning model for polymer informatics
  • Synergistic integration of topology and stochastic differential equation-based diffusion model (SDE-DM) for materials informatics
  • Topology-Based Featurization for Machine Learning Models in Materials Informatics