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Metal-organic frameworks (MOFs) are porous, crystalline materials with high surface area, adjustable porosity, and structural tunability, making them ideal for diverse applications. However, traditional experimental and computational…

Biomolecules · Quantitative Biology 2024-12-17 Dong Chen , Chun-Long Chen , Guo-Wei Wei

This paper introduces persistent homology, which is a powerful tool to characterize the shape of data using the mathematical concept of topology. We explain the fundamental idea of persistent homology from scratch using some examples. We…

Algebraic Topology · Mathematics 2022-05-25 Ippei Obayashi , Takenobu Nakamura , Yasuaki Hiraoka

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…

Materials Science · Physics 2024-10-08 Cong Shen , Yipeng Zhang , Fei Han , Kelin Xia

Classical unsupervised learning methods like clustering and linear dimensionality reduction parametrize large-scale geometry when it is discrete or linear, while more modern methods from manifold learning find low dimensional representation…

Machine Learning · Computer Science 2025-09-23 Luis Scoccola , Uzu Lim , Heather A. Harrington

Universal time series representation learning is challenging but valuable in real-world applications such as classification, anomaly detection, and forecasting. Recently, contrastive learning (CL) has been actively explored to tackle time…

Machine Learning · Computer Science 2025-02-06 Namwoo Kim , Hyungryul Baik , Yoonjin Yoon

Topological data analysis (TDA) is a tool from data science and mathematics that is beginning to make waves in environmental science. In this work, we seek to provide an intuitive and understandable introduction to a tool from TDA that is…

Machine Learning · Computer Science 2025-07-15 Lander Ver Hoef , Henry Adams , Emily J. King , Imme Ebert-Uphoff

Topology at the undergraduate level is often a theoretical mathematics course, introducing concepts from point-set topology or possibly algebraic topology. However, the last two decades have seen an explosion of growth in applied topology…

History and Overview · Mathematics 2024-06-25 Lori Ziegelmeier

Topological Data Analysis (TDA) is an emergent field that aims to discover topological information hidden in a dataset. TDA tools have been commonly used to create filters and topological descriptors to improve Machine Learning (ML)…

Machine Learning · Computer Science 2022-02-07 Rolando Kindelan , José Frías , Mauricio Cerda , Nancy Hitschfeld

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

The Mapper algorithm, a technique within topological data analysis (TDA), constructs a simplified graphical representation of high-dimensional data to uncover its underlying shape and structural patterns. The algorithm has attracted…

General Topology · Mathematics 2025-04-15 Vine Nwabuisi Madukpe , Bright Chukwuma Ugoala , Nur Fariha Syaqina Zulkepli

The topological information is essential for studying the relationship between nodes in a network. Recently, Network Representation Learning (NRL), which projects a network into a low-dimensional vector space, has been shown their…

Social and Information Networks · Computer Science 2019-02-19 Guoji Fu , Chengbin Hou , Xin Yao

Deep learning methods have demonstrated outstanding performances on classification and regression tasks on homogeneous data types (e.g., image, audio, and text data). However, tabular data still pose a challenge, with classic machine…

Machine Learning · Computer Science 2023-11-15 Antonio Briola , Yuanrong Wang , Silvia Bartolucci , Tomaso Aste

Topological deep learning (TDL) is a rapidly growing field that seeks to leverage topological structure in data and facilitate learning from data supported on topological objects, ranging from molecules to 3D shapes. Most TDL architectures…

Machine Learning · Computer Science 2025-02-13 Yam Eitan , Yoav Gelberg , Guy Bar-Shalom , Fabrizio Frasca , Michael Bronstein , Haggai Maron

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

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

This paper is a cursory study on how topological features are preserved within the internal representations of neural network layers. Using techniques from topological data analysis, namely persistent homology, the topological features of a…

Machine Learning · Computer Science 2022-08-16 Archie Shahidullah

Topological data analysis (TDA) provides insight into data shape. The summaries obtained by these methods are principled global descriptions of multi-dimensional data whilst exhibiting stable properties such as robustness to deformation and…

Machine Learning · Computer Science 2024-03-18 Ali Zia , Abdelwahed Khamis , James Nichols , Zeeshan Hayder , Vivien Rolland , Lars Petersson

Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a…

Machine Learning · Computer Science 2021-03-30 Yu Zhang , Qiang Yang

Mathematical morphology is a theory and technique to collect features like geometric and topological structures in digital images. Given a target image, determining suitable morphological operations and structuring elements is a cumbersome…

Computer Vision and Pattern Recognition · Computer Science 2019-09-05 Yucong Shen , Xin Zhong , Frank Y. Shih

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