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Persistent de Rham-Hodge Laplacians in Eulerian representation for manifold topological learning.

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We introduce a new method for topological data analysis on manifolds, called persistent Hodge Laplacian (PHL). This approach enables manifold topological learning for machine learning applications, showing promise in predicting protein-ligand binding affinities.

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53Z5055N31manifold topological analysismanifold topological learningpersistent Hodge Laplacianprotein-ligand binding

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Area of Science:

  • Computational topology
  • Data science
  • Scientific computing

Background:

  • Topological data analysis (TDA) and persistent homology are powerful tools, but limited to point cloud data.
  • Existing methods for manifold data, like evolutionary de Rham-Hodge theory, suffer from numerical inconsistencies in machine learning contexts.
  • There is a need for robust TDA methods applicable to data residing on manifolds.

Purpose of the Study:

  • To develop a novel topological learning framework for data defined on manifolds.
  • To address the limitations of existing persistent homology methods for manifold-structured data.
  • To enable consistent and efficient topological analysis of manifold data in machine learning.

Main Methods:

  • Introduction of the persistent de Rham-Hodge Laplacian (PHL) for manifold topological learning.
  • Construction of PHLs in the Eulerian representation using structure-persevering Cartesian grids.
  • Development of a persistent Hodge Laplacian learning algorithm for manifold and volumetric data.

Main Results:

  • PHLs avoid numerical inconsistencies associated with remeshing in Lagrangian representations.
  • The proposed method facilitates manifold topological learning on multi-scale manifolds.
  • Successful application in predicting protein-ligand binding affinities using benchmark datasets.

Conclusions:

  • The persistent Hodge Laplacian offers a robust and numerically consistent approach for topological learning on manifolds.
  • This method expands the applicability of TDA to complex, manifold-structured datasets.
  • The framework shows significant potential for applications in computational biology and other scientific domains.