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Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a…

Computational Geometry · Computer Science 2026-03-27 Mathieu Carriere , Yuichi Ike , Théo Lacombe , Naoki Nishikawa

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

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

Machine Learning · Computer Science 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Using persistent homology to guide optimization has emerged as a novel application of topological data analysis. Existing methods treat persistence calculation as a black box and backpropagate gradients only onto the simplices involved in…

Computational Geometry · Computer Science 2023-11-06 Arnur Nigmetov , Dmitriy Morozov

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

The topology of the large-scale structure of the universe contains valuable information on the underlying cosmological parameters. While persistent homology can extract this topological information, the optimal method for parameter…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-08 Jacky H. T. Yip , Adam Rouhiainen , Gary Shiu

Persistence diagrams offer a way to summarize topological and geometric properties latent in datasets. While several methods have been developed that utilize persistence diagrams in statistical inference, a full Bayesian treatment remains…

Methodology · Statistics 2019-08-08 Vasileios Maroulas , Farzana Nasrin , Christopher Oballe

Persistent homology is an effective method for extracting topological information, represented as persistent diagrams, of spatial structure data. Hence it is well-suited for the study of protein structures. Attempts to incorporate…

Machine Learning · Computer Science 2024-08-01 An Wu , Yu Pan , Fuqi Zhou , Jinghui Yan , Chuanlu Liu

Data quality is crucial for the successful training, generalization and performance of machine learning models. We propose to measure the quality of a subset concerning the dataset it represents, using topological data analysis techniques.…

Algebraic Topology · Mathematics 2024-10-01 Álvaro Torras-Casas , Eduardo Paluzo-Hidalgo , Rocio Gonzalez-Diaz

Network structure optimization is a fundamental task in complex network analysis. However, almost all the research on Bayesian optimization is aimed at optimizing the objective functions with vectorial inputs. In this work, we first present…

Machine Learning · Statistics 2018-11-07 Jiaxu Cui , Bo Yang

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 is a relatively new branch of machine learning that excels in studying high dimensional data, and is theoretically known to be robust against noise. Meanwhile, data objects with mixed numeric and categorical…

Algebraic Topology · Mathematics 2020-06-15 Chengyuan Wu , Carol Anne Hargreaves

The optimization of expensive-to-evaluate black-box functions over combinatorial structures is an ubiquitous task in machine learning, engineering and the natural sciences. The combinatorial explosion of the search space and costly…

Machine Learning · Statistics 2018-10-11 Ricardo Baptista , Matthias Poloczek

Persistent homology is a technique recently developed in algebraic and computational topology well-suited to analysing structure in complex, high-dimensional data. In this paper, we exposit the theory of persistent homology from first…

Applications · Statistics 2016-11-30 Matthew Pietrosanu

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

Solving optimization tasks based on functions and losses with a topological flavor is a very active, growing field of research in data science and Topological Data Analysis, with applications in non-convex optimization, statistics and…

Computational Geometry · Computer Science 2021-02-19 Mathieu Carrière , Frédéric Chazal , Marc Glisse , Yuichi Ike , Hariprasad Kannan

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

We propose an algorithm for a family of optimization problems where the objective can be decomposed as a sum of functions with monotonicity properties. The motivating problem is optimization of hyperparameters of machine learning…

Machine Learning · Computer Science 2018-02-20 Wenyi Wang , William J. Welch

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

Appropriately representing elements in a database so that queries may be accurately matched is a central task in information retrieval; recently, this has been achieved by embedding the graphical structure of the database into a manifold in…

Machine Learning · Statistics 2023-07-10 Yueqi Cao , Athanasios Vlontzos , Luca Schmidtke , Bernhard Kainz , Anthea Monod
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