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In this study, we present a novel molecular fingerprint generation method based on multiparameter persistent homology. This approach reveals the latent structures and relationships within molecular geometry, and detects topological features…

Biomolecules · Quantitative Biology 2023-11-21 Andac Demir , Bulent Kiziltan

In this work we use the persistent homology method, a technique in topological data analysis (TDA), to extract essential topological features from the data space and combine them with deep learning features for classification tasks. In TDA,…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Mariana Dória Prata Lima , Gilson Antonio Giraldi , Gastão Florêncio Miranda Junior

Proteins are the most important biomolecules for living organisms. The understanding of protein structure, function, dynamics and transport is one of most challenging tasks in biological science. In the present work, persistent homology is,…

Biomolecules · Quantitative Biology 2014-12-10 Kelin Xia , Guo-Wei Wei

Modern deep neural networks have shown remarkable performance in medical image classification. However, such networks either emphasize pixel-intensity features instead of fundamental anatomical structures (e.g., those encoded by topological…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Pengfei Gu , Huimin Li , Haoteng Tang , Dongkuan , Xu , Erik Enriquez , DongChul Kim , Bin Fu , Danny Z. Chen

Persistent homology is a powerful tool for characterizing the topology of a data set at various geometric scales. When applied to the description of molecular structures, persistent homology can capture the multiscale geometric features and…

Quantitative Methods · Quantitative Biology 2018-07-31 Zixuan Cang , Guo-Wei Wei

Persistent homology is an important methodology in topological data analysis which adapts theory from algebraic topology to data settings. Computing persistent homology produces persistence diagrams, which have been successfully used in…

Machine Learning · Statistics 2026-01-13 Yueqi Cao , Anthea Monod

Persistent homology has emerged as a popular technique for the topological simplification of big data, including biomolecular data. Multidimensional persistence bears considerable promise to bridge the gap between geometry and topology.…

Biomolecules · Quantitative Biology 2014-12-25 Kelin Xia , Guo-Wei Wei

Persistent homology is a mathematical tool used for studying the shape of data by extracting its topological features. It has gained popularity in network science due to its applicability in various network mining problems, including…

Algebraic Topology · Mathematics 2023-06-21 Mehmet Emin Aktas , Thu Nguyen , Rakin Riza , Muhammad Ifte Islam , Esra Akbas

Topological data analysis is becoming increasingly relevant to support the analysis of unstructured data sets. A common assumption in data analysis is that the data set is a sample---not necessarily a uniform one---of some high-dimensional…

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

Topological features play an essential role in ensuring geometric plausibility and structural consistency in image analysis tasks such as segmentation and skeletonization. However, integrating topology-preserving learning based on simple…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Wenxiao Li , Faqiang Wang , Yuping Duan , Li Cui , Liqiang Zhang , Jun Liu

The field of mathematical morphology offers well-studied techniques for image processing. In this work, we view morphological operations through the lens of persistent homology, a tool at the heart of the field of topological data analysis.…

Computational Geometry · Computer Science 2021-03-25 Yu-Min Chung , Sarah Day , Chuan-Shen Hu

The fingerprint classification problem is to sort fingerprints into pre-determined groups, such as arch, loop, and whorl. It was asserted in the literature that minutiae points, which are commonly used for fingerprint matching, are not…

Machine Learning · Statistics 2017-11-28 Noah Giansiracusa , Robert Giansiracusa , Chul Moon

Tumor segmentation in whole-slide images of histology slides is an important step towards computer-assisted diagnosis. In this work, we propose a tumor segmentation framework based on the novel concept of persistent homology profiles…

Computer Vision and Pattern Recognition · Computer Science 2018-05-11 Talha Qaiser , Yee-Wah Tsang , Daiki Taniyama , Naoya Sakamoto , Kazuaki Nakane , David Epstein , Nasir Rajpoot

In this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions with persistent homology analysis, so as to construct a series of…

Biomolecules · Quantitative Biology 2016-12-28 Kelin Xia , Zhiming Li , Lin Mu

Recently, persistent homology has had tremendous success in biomolecular data analysis. It works by examining the topological relationship or connectivity of a group of atoms in a molecule at a variety of scales, then rendering a family of…

Biomolecules · Quantitative Biology 2019-03-27 David Bramer , Guo-Wei Wei

Optimization, a key tool in machine learning and statistics, relies on regularization to reduce overfitting. Traditional regularization methods control a norm of the solution to ensure its smoothness. Recently, topological methods have…

Machine Learning · Computer Science 2020-11-11 Arnur Nigmetov , Aditi S. Krishnapriyan , Nicole Sanderson , Dmitriy Morozov

Topological data analysis (TDA) uncovers crucial properties of objects in medical imaging. Methods based on persistent homology have demonstrated their advantages in capturing topological features that traditional deep learning methods…

Computer Vision and Pattern Recognition · Computer Science 2024-08-16 Yanfan Zhu , Yash Singh , Khaled Younis , Shunxing Bao , Yuankai Huo

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such…

Computational Geometry · Computer Science 2023-06-21 David Loiseaux , Mathieu Carrière , Andrew J. Blumberg

Persistent homology is a popular and powerful tool for capturing topological features of data. Advances in algorithms for computing persistent homology have reduced the computation time drastically -- as long as the algorithm does not…

Computational Geometry · Computer Science 2013-10-03 Ulrich Bauer , Michael Kerber , Jan Reininghaus

Persistent homology is a multiscale method for analyzing the shape of sets and functions from point cloud data arising from an unknown distribution supported on those sets. When the size of the sample is large, direct computation of the…

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