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We present a machine learning approach that leverages persistent homology to classify bacterial flagellar motors into two functional states: rotated and stalled. By embedding protein structural data into a topological framework, we extract…

Biomolecules · Quantitative Biology 2025-12-19 Zakaria Lamine , Abdelatif Hafid , Mohamed Rahouti

Persistent homology analysis provides means to capture the connectivity structure of data sets in various dimensions. On the mathematical level, by defining a metric between the objects that persistence attaches to data sets, we can…

Machine Learning · Computer Science 2019-06-12 Henri Riihimäki , José Licón-Saláiz

Artificial intelligence-assisted drug design is revolutionizing the pharmaceutical industry. Effective molecular features are crucial for accurate machine learning predictions, and advanced mathematics plays a key role in designing these…

Biomolecules · Quantitative Biology 2024-08-27 Hongsong Feng , Li Shen , Jian Liu , Guo-Wei Wei

We characterize structures such as monotonicity, convexity, and modality in smooth regression curves using persistent homology. Persistent homology is a key tool in topological data analysis that detects higher-dimensional topological…

Algebraic Topology · Mathematics 2025-10-28 Satish Kumar , Subhra Sankar Dhar

Topological data analysis uses tools from topology -- the mathematical area that studies shapes -- to create representations of data. In particular, in persistent homology, one studies one-parameter families of spaces associated with data,…

Machine Learning · Computer Science 2020-12-01 Guido Montúfar , Nina Otter , Yuguang Wang

Persistent homology is a common technique in topological data analysis providing geometrical and topological information about the sample space. All this information, known as topological features, is summarized in persistence diagrams, and…

Methodology · Statistics 2022-04-05 Asael Fabian Martínez

A fundamental tool in topological data analysis is persistent homology, which allows extraction of information from complex datasets in a robust way. Persistent homology assigns a module over a principal ideal domain to a one-parameter…

Algebraic Topology · Mathematics 2019-06-19 Heather A. Harrington , Nina Otter , Hal Schenck , Ulrike Tillmann

The theory of multidimensional persistent homology was initially developed in the discrete setting, and involved the study of simplicial complexes filtered through an ordering of the simplices. Later, stability properties of…

Computational Geometry · Computer Science 2013-03-28 Niccolò Cavazza , Marc Ethier , Patrizio Frosini , Tomasz Kaczynski , Claudia Landi

Persistent homology is a relatively new tool often used for \emph{qualitative} analysis of intrinsic topological features in images and data originated from scientific and engineering applications. In this paper, we report novel…

Biomolecules · Quantitative Biology 2014-12-09 Kelin Xia , Xin Feng , Yiying Tong , Guo Wei We

Persistent homology is a powerful mathematical tool that summarizes useful information about the shape of data allowing one to detect persistent topological features while one adjusts the resolution. However, the computation of such…

Quantum Physics · Physics 2022-03-01 Bernardo Ameneyro , Vasileios Maroulas , George Siopsis

Topological data analysis is an emerging area in exploratory data analysis and data mining. Its main tool, persistent homology, has become a popular technique to study the structure of complex, high-dimensional data. In this paper, we…

Graphics · Computer Science 2017-10-04 Mustafa Hajij , Bei Wang , Carlos Scheidegger , Paul Rosen

An Important tool in the field topological data analysis is known as persistent Homology (PH) which is used to encode abstract representation of the homology of data at different resolutions in the form of persistence diagram (PD). In this…

Image and Video Processing · Electrical Eng. & Systems 2022-07-13 Aras Asaad , Dashti Ali , Taban Majeed , Rasber Rashid

Protein fold classification is a classic problem in structural biology and bioinformatics. We approach this problem using persistent homology. In particular, we use alpha shape filtrations to compare a topological representation of the data…

Biomolecules · Quantitative Biology 2021-08-23 W. Hamilton , J. E. Borgert , T. Hamelryck , J. S. Marron

Persistent homology (PH) is a recently developed theory in the field of algebraic topology to study shapes of datasets. It is an effective data analysis tool that is robust to noise and has been widely applied. We demonstrate a general…

Signal Processing · Electrical Eng. & Systems 2020-05-05 Yu-Min Chung , Chuan-Shen Hu , Yu-Lun Lo , Hau-Tieng Wu

Motivation: Site directed mutagenesis is widely used to understand the structure and function of biomolecules. Computational prediction of protein mutation impacts offers a fast, economical and potentially accurate alternative to laboratory…

Quantitative Methods · Quantitative Biology 2017-04-03 Zixuan Cang , Guo-Wei Wei

Techniques from computational topology, in particular persistent homology, are becoming increasingly relevant for data analysis. Their stable metrics permit the use of many distance-based data analysis methods, such as multidimensional…

Algebraic Topology · Mathematics 2021-01-20 Bastian Rieck , Filip Sadlo , Heike Leitte

This article introduces an algorithm to compute the persistent homology of a filtered complex with various coefficient fields in a single matrix reduction. The algorithm is output-sensitive in the total number of distinct persistent…

Computational Geometry · Computer Science 2020-01-10 Jean-Daniel Boissonnat , Clément Maria

Computational topology has recently known an important development toward data analysis, giving birth to the field of topological data analysis. Topological persistence, or persistent homology, appears as a fundamental tool in this field.…

Statistics Theory · Mathematics 2013-05-28 Frédéric Chazal , Marc Glisse , Catherine Labruère , Bertrand Michel

Spatial transcriptomics studies are becoming increasingly large and commonplace, necessitating simultaneous analysis of a large number of spatially resolved variables. Correspondingly, a diverse range of methodologies have been proposed to…

Quantitative Methods · Quantitative Biology 2025-09-09 James Boyle , Gregory Hamm , Eleanor Williams , Robin JG Hartman , Magnus Soderburg , Ian Henry , Michael Casey

Persistent topological properties of an image serve as an additional descriptor providing an insight that might not be discovered by traditional neural networks. The existing research in this area focuses primarily on efficiently…

Computer Vision and Pattern Recognition · Computer Science 2023-03-07 Ekaterina Khramtsova , Guido Zuccon , Xi Wang , Mahsa Baktashmotlagh