Georgia Institute of Technology College of Sciences

This talk will discuss an evolutionary de Rham-Hodge method to provide a unified paradigm for the multiscale geometric and topological analysis of evolving manifolds constructed from filtration, which induces a family of evolutionary de Rham complexes. While the present method can be easily applied to close manifolds, the emphasis is given to more challenging compact manifolds with 2-manifold boundaries, which require appropriate analysis and treatment of boundary conditions on differential forms to maintain proper topological properties. Three sets of Hodge Laplacians are proposed to generate three sets of topology-preserving singular spectra, for which the multiplicities of zero eigenvalues correspond to exact topological invariants. To demonstrate the utility of the proposed method, the application is considered for the predictions of binding free energy (BFE) changes of protein-protein interactions (PPIs) induced by mutations with machine learning modeling. It has a great application in studying the SARS-CoV-2 virus' infectivity, antibody resistance, and vaccine breakthrough, which will be presented in this talk.