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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 models. Deeply rooted in algebraic topology, persistent…

Algebraic Topology · Mathematics 2018-11-02 Chi Seng Pun , Kelin Xia , Si Xian Lee

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

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

Representation learning on graphs is a fundamental problem that can be crucial in various tasks. Graph neural networks, the dominant approach for graph representation learning, are limited in their representation power. Therefore, it can be…

Machine Learning · Computer Science 2025-01-17 Zuoyu Yan , Qi Zhao , Ze Ye , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

Persistent homology is a tool that can be employed to summarize the shape of data by quantifying homological features. When the data is an object in $\mathbb{R}^d$, the (augmented) persistent homology transform ((A)PHT) is a family of…

Computational Geometry · Computer Science 2022-12-27 Brittany Terese Fasy , Samuel Micka , David L. Millman , Anna Schenfisch , Lucia Williams

This work introduces a number of algebraic topology approaches, such as multicomponent persistent homology, multi-level persistent homology and electrostatic persistence for the representation, characterization, and description of small…

Quantitative Methods · Quantitative Biology 2018-02-07 Zixuan Cang , Lin Mu , Guowei Wei

In this study, we present a method of pattern mining based on network theory that enables the identification of protein structures or complexes from synthetic volume densities, without the knowledge of predefined templates or human biases…

Quantitative Methods · Quantitative Biology 2022-10-18 August George , Doo Nam Kim , Trevor Moser , Ian T. Gildea , James E. Evans , Margaret S. Cheung

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

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

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

Persistent Homology (PH) is a useful tool to study the underlying structure of a data set. Persistence Diagrams (PDs), which are 2D multisets of points, are a concise summary of the information found by studying the PH of a data set.…

Computational Geometry · Computer Science 2020-11-24 Megan Johnson , Jae-Hun Jung

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the…

Machine Learning · Computer Science 2024-02-08 David Loiseaux , Luis Scoccola , Mathieu Carrière , Magnus Bakke Botnan , Steve Oudot

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

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

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 fundamental challenge in molecular biology. Protein…

Biomolecules · Quantitative Biology 2015-10-06 Zixuan Cang , Lin Mu , Kedi Wu , Kristopher Opron , Kelin Xia , Guo-Wei Wei

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

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 is a powerful tool in Topological Data Analysis (TDA) to capture topological properties of data succinctly at different spatial resolutions. For graphical data, shape, and structure of the neighborhood of individual data…

Social and Information Networks · Computer Science 2018-11-12 Sumit Bhatia , Bapi Chatterjee , Deepak Nathani , Manohar Kaul

We present a novel method to explicitly incorporate topological prior knowledge into deep learning based segmentation, which is, to our knowledge, the first work to do so. Our method uses the concept of persistent homology, a tool from…

Computer Vision and Pattern Recognition · Computer Science 2019-01-30 James R. Clough , Ilkay Oksuz , Nicholas Byrne , Julia A. Schnabel , Andrew P. King