Persistent-homology-based machine learning: a survey and a comparative study

CS Pun, SX Lee, K Xia - Artificial Intelligence Review, 2022 - Springer
A suitable feature representation that can both preserve the data intrinsic information and
reduce data complexity and dimensionality is key to the performance of machine learning …

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening

Z Cang, L Mu, GW Wei - PLoS computational biology, 2018 - journals.plos.org
This work introduces a number of algebraic topology approaches, including multi-
component persistent homology, multi-level persistent homology, and electrostatic …

Persistent homology analysis of protein structure, flexibility, and folding

K Xia, GW Wei - International journal for numerical methods in …, 2014 - Wiley Online Library
Proteins are the most important biomolecules for living organisms. The understanding of
protein structure, function, dynamics, and transport is one of the most challenging tasks in …

Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis

DV Anand, Z Meng, K Xia, Y Mu - Scientific reports, 2020 - nature.com
It has long been observed that trimethylamine N-oxide (TMAO) and urea demonstrate
dramatically different properties in a protein folding process. Even with the enormous …

A topological approach for protein classification

Z Cang, L Mu, K Wu, K Opron, K Xia… - Computational and …, 2015 - degruyter.com
Protein function and dynamics are closely related to its sequence and structure. However,
prediction of protein function and dynamics from its sequence and structure is still a …

Weighted persistent homology for biomolecular data analysis

Z Meng, DV Anand, Y Lu, J Wu, K Xia - Scientific reports, 2020 - nature.com
In this paper, we systematically review weighted persistent homology (WPH) models and
their applications in biomolecular data analysis. Essentially, the weight value, which reflects …

[HTML][HTML] Geometrical and topological approaches to Big Data

V Snášel, J Nowaková, F Xhafa, L Barolli - Future Generation Computer …, 2017 - Elsevier
Modern data science uses topological methods to find the structural features of data sets
before further supervised or unsupervised analysis. Geometry and topology are very natural …

Multidimensional persistence in biomolecular data

K Xia, GW Wei - Journal of computational chemistry, 2015 - Wiley Online Library
Persistent homology has emerged as a popular technique for the topological simplification
of big data, including biomolecular data. Multidimensional persistence bears considerable …

A review of geometric, topological and graph theory apparatuses for the modeling and analysis of biomolecular data

K Xia, GW Wei - arXiv preprint arXiv:1612.01735, 2016 - arxiv.org
Geometric, topological and graph theory modeling and analysis of biomolecules are of
essential importance in the conceptualization of molecular structure, function, dynamics, and …

Topological data analysis (TDA) for time series

N Ravishanker, R Chen - arXiv preprint arXiv:1909.10604, 2019 - arxiv.org
The study of topology is strictly speaking, a topic in pure mathematics. However in only a few
years, Topological Data Analysis (TDA), which refers to methods of utilizing topological …