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Structure in quantum entanglement entropy is often leveraged to focus on a small corner of the exponentially large Hilbert space and efficiently parameterize the problem of finding ground states. A typical example is the use of matrix…

Statistical Mechanics · Physics 2023-04-17 Bart Olsthoorn

Understanding and predicting thermal transport in disordered materials remains a significant challenge due to the absence of periodicity and the complex nature of medium-range structural motifs. In this work, we investigate amorphous…

Materials Science · Physics 2025-12-16 Kosuke Yamazaki , Takuma Shiga , Kumpei Shiraishi , Emi Minamitani

Persistent homology is a central methodology in topological data analysis that has been successfully implemented in many fields and is becoming increasingly popular and relevant. The output of persistent homology is a persistence diagram --…

Statistics Theory · Mathematics 2024-04-24 Konstantin Häberle , Barbara Bravi , Anthea Monod

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

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 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

Port-Hamiltonian (PH) systems provide a framework for modeling, analysis and control of complex dynamical systems, where the complexity might result from multi-physical couplings, non-trivial domains and diverse nonlinearities. A major…

Dynamical Systems · Mathematics 2024-03-15 Philipp L. Kinon , Tobias Thoma , Peter Betsch , Paul Kotyczka

The extension of persistent homology to multi-parameter setups is an algorithmic challenge. Since most computation tasks scale badly with the size of the input complex, an important pre-processing step consists of simplifying the input…

Algebraic Topology · Mathematics 2019-03-19 Ulderico Fugacci , Michael Kerber

We propose a novel method for topological analysis of unweighted graphs which is based on \textit{persistent homology}. The proposed method maps the input graph to a complete weighted graph where the weighting function maps each edge to a…

Algebraic Topology · Mathematics 2020-07-31 Padraig Corcoran

Proposing scoring functions to effectively understand, analyze and learn various properties of high dimensional hidden representations of large-scale transformer models like BERT can be a challenging task. In this work, we explore a new…

Machine Learning · Computer Science 2022-11-01 Jatin Chauhan , Manohar Kaul

This paper concerns a theoretical approach that combines topological data analysis (TDA) and sheaf theory. Topological data analysis, a rising field in mathematics and computer science, concerns the shape of the data and has been proven…

Computer Vision and Pattern Recognition · Computer Science 2020-12-04 Chuan-Shen Hu , Yu-Min Chung

Recent years have witnessed an increased interest in the application of persistent homology, a topological tool for data analysis, to machine learning problems. Persistent homology is known for its ability to numerically characterize the…

Neural and Evolutionary Computing · Computer Science 2016-08-29 Jen-Yu Liu , Shyh-Kang Jeng , Yi-Hsuan Yang

In recent years, persistent homology (PH) has been successfully applied to real-world data in many different settings. Despite significant computational advances, PH algorithms do not yet scale to large datasets preventing interesting…

Algebraic Topology · Mathematics 2022-03-24 Bernadette J. Stolz

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

Determining whether two graphs are isomorphic is a fundamental problem with practical applications in areas such as molecular chemistry or social network analysis, yet it remains a challenging task, with exact solutions often being…

We explore the recently introduced persistent reachability homology (PRH) of digraph data, i.e. data in the form of directed graphs. In particular, we study the effectiveness of PRH in network classification task in a key neuroscience…

Machine Learning · Computer Science 2025-11-10 Luigi Caputi , Nicholas Meadows , Henri Riihimäki

Building upon [2308.02636], we investigate the constraining power of persistent homology on cosmological parameters and primordial non-Gaussianity in a likelihood-free inference pipeline utilizing machine learning. We evaluate the ability…

Cosmology and Nongalactic Astrophysics · Physics 2025-09-22 Juan Calles , Jacky H. T. Yip , Gabriella Contardo , Jorge Noreña , Adam Rouhiainen , Gary Shiu

High-quality training data is the foundation of machine learning and artificial intelligence, shaping how models learn and perform. Although much is known about what types of data are effective for training, the impact of the data's…

Machine Learning · Computer Science 2025-10-21 Yang Ba , Mohammad Sadeq Abolhasani , Rong Pan

A reaction route map (RRM) constructed using the GRRM program is a collection of elementary reaction pathways, each of which comprises two equilibrium (EQ) geometries and one transition state (TS) geometry connected by an intrinsic reaction…

Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl
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