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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

Visualization in the emerging field of topological data analysis has progressed from persistence barcodes and persistence diagrams to display of two-parameter persistent homology. Although persistence barcodes and diagrams have permitted…

Applications · Statistics 2019-01-08 Raoul R. Wadhwa , Andrew Dhawan , Drew F. K. Williamson , Jacob G. Scott

For nearly three decades, spatial games have produced a wealth of insights to the study of behavior and its relation to population structure. However, as different rules and factors are added or altered, the dynamics of spatial models often…

Computer Science and Game Theory · Computer Science 2021-09-30 Jakob Stenseke

Topology applied to real world data using persistent homology has started to find applications within machine learning, including deep learning. We present a differentiable topology layer that computes persistent homology based on level set…

Graph neural networks have become the default choice by practitioners for graph learning tasks such as graph classification and node classification. Nevertheless, popular graph neural network models still struggle to capture higher-order…

Machine Learning · Computer Science 2024-11-27 Davide Buffelli , Farzin Soleymani , Bastian Rieck

High order networks are weighted hypergraphs col- lecting relationships between elements of tuples, not necessarily pairs. Valid metric distances between high order networks have been defined but they are difficult to compute when the…

Social and Information Networks · Computer Science 2016-05-04 Weiyu Huang , Alejandro Ribeiro

Point-cloud persistent homology (PH) -- computing alpha or Rips complexes on spin-position point clouds -- has been widely applied to detect phase transitions in classical spin models since Donato et al. (2016), with subsequent studies…

Statistical Mechanics · Physics 2026-04-01 Matthew Loftus

The machinery of topological data analysis becomes increasingly popular in a broad range of machine learning tasks, ranging from anomaly detection and manifold learning to graph classification. Persistent homology is one of the key…

Persistence diagrams (PDs) provide a powerful tool for understanding the topology of the underlying shape of a point cloud. However, identifying which points in PDs encode genuine signals remains challenging. This challenge directly hinders…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Yu Chen , Hongwei Lin

Supervised machine learning pipelines trained on features derived from persistent homology have been experimentally observed to ignore much of the information contained in a persistence diagram. Computing persistence diagrams is often the…

Machine Learning · Statistics 2025-07-11 Nicole Abreu , Parker B. Edwards , Francis Motta

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

Biomolecular structure comparison not only reveals evolutionary relationships, but also sheds light on biological functional properties. However, traditional definitions of structure or sequence similarity always involve superposition or…

Quantitative Methods · Quantitative Biology 2017-07-13 Kelin Xia

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

Convolutional neural networks (CNNs) are a standard tool for computer vision tasks such as image classification. However, typical model architectures may result in the loss of topological information. In specific domains such as…

Image and Video Processing · Electrical Eng. & Systems 2026-03-05 Shrunal Pothagoni , Benjamin Schweinhart

In this paper, we propose Quasi Zigzag Persistent Homology (QZPH) as a framework for analyzing time-varying data by integrating multiparameter persistence and zigzag persistence. To this end, we introduce a stable topological invariant that…

Machine Learning · Computer Science 2026-01-21 Tamal K. Dey , Shreyas N. Samaga

Word embeddings represent language vocabularies as clouds of $d$-dimensional points. We investigate how information is conveyed by the general shape of these clouds, instead of representing the semantic meaning of each token. Specifically,…

Computation and Language · Computer Science 2025-01-15 Ondřej Draganov , Steven Skiena

Persistent homology typically studies the evolution of homology groups $H_p(X)$ (with coefficients in a field) along a filtration of topological spaces. $A_\infty$-persistence extends this theory by analysing the evolution of subspaces such…

Algebraic Topology · Mathematics 2020-08-13 Francisco Belchí

Two-dimensional (2D) particle systems, such as magnetic skyrmions, exhibit topological phase transitions between unique 2D phases. However, a simple and computationally efficient methodology to capture lattice configurational properties and…

Topological Machine Learning (TML) is an emerging field that leverages techniques from algebraic topology to analyze complex data structures in ways that traditional machine learning methods may not capture. This tutorial provides a…

Machine Learning · Computer Science 2024-09-05 Baris Coskunuzer , Cüneyt Gürcan Akçora

Persistent homology and persistent entropy have recently become useful tools for patter recognition. In this paper, we find requirements under which persistent entropy is stable to small perturbations in the input data and scale invariant.…

Information Theory · Computer Science 2020-06-22 N. Atienza , R. Gonzalez-Diaz , M. Soriano-Trigueros
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