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数据科学的拓扑方法的各个方面。

ASPECTS OF TOPOLOGICAL APPROACHES FOR DATA SCIENCE.

作者信息

Grbić Jelena, Wu Jie, Xia Kelin, Wei Guo-Wei

机构信息

School of Mathematical Sciences, University of Southampton, Southampton, UK.

School of Mathematical Sciences, Center of Topology and Geometry based Technology, Hebei Normal University, Yuhua District, Shijiazhuang, Hebei, 050024 China.

出版信息

Found Data Sci. 2022 Jun;4(2):165-216. doi: 10.3934/fods.2022002.

DOI:10.3934/fods.2022002
PMID:36712596
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9881677/
Abstract

We establish a new theory which unifies various aspects of topological approaches for data science, by being applicable both to point cloud data and to graph data, including networks beyond pairwise interactions. We generalize simplicial complexes and hypergraphs to super-hypergraphs and establish super-hypergraph homology as an extension of simplicial homology. Driven by applications, we also introduce super-persistent homology.

摘要

我们建立了一种新理论,该理论统一了数据科学拓扑方法的各个方面,既适用于点云数据,也适用于图数据,包括超越成对相互作用的网络。我们将单纯复形和超图推广到超超图,并建立超超图同调作为单纯同调的扩展。受应用驱动,我们还引入了超持久同调。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/9bc4e9f1f52b/nihms-1825620-f0017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/d8ad538cf755/nihms-1825620-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/a17bce3bd29c/nihms-1825620-f0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/265adb24a1b0/nihms-1825620-f0012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/074fcd5d4be2/nihms-1825620-f0013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/bb825ad05026/nihms-1825620-f0014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/aef4a4fce47e/nihms-1825620-f0015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/c452b2dd0221/nihms-1825620-f0016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/9bc4e9f1f52b/nihms-1825620-f0017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/d8ad538cf755/nihms-1825620-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/a17bce3bd29c/nihms-1825620-f0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/265adb24a1b0/nihms-1825620-f0012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/074fcd5d4be2/nihms-1825620-f0013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/bb825ad05026/nihms-1825620-f0014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/aef4a4fce47e/nihms-1825620-f0015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/c452b2dd0221/nihms-1825620-f0016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44bd/9881677/9bc4e9f1f52b/nihms-1825620-f0017.jpg

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本文引用的文献

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An Introduction to Topological Data Analysis: Fundamental and Practical Aspects for Data Scientists.《拓扑数据分析导论:数据科学家的基础与实践》
Front Artif Intell. 2021 Sep 29;4:667963. doi: 10.3389/frai.2021.667963. eCollection 2021.
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A topology-based network tree for the prediction of protein-protein binding affinity changes following mutation.一种基于拓扑结构的网络树,用于预测突变后蛋白质-蛋白质结合亲和力的变化。
Nat Mach Intell. 2020;2(2):116-123. doi: 10.1038/s42256-020-0149-6. Epub 2020 Feb 14.
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Persistent spectral-based machine learning (PerSpect ML) for protein-ligand binding affinity prediction.用于蛋白质-配体结合亲和力预测的基于持久光谱的机器学习(PerSpect ML)。
Sci Adv. 2021 May 7;7(19). doi: 10.1126/sciadv.abc5329. Print 2021 May.
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Forman persistent Ricci curvature (FPRC)-based machine learning models for protein-ligand binding affinity prediction.基于 Forman 持续 Ricci 曲率 (FPRC) 的蛋白质-配体结合亲和力预测机器学习模型。
Brief Bioinform. 2021 Nov 5;22(6). doi: 10.1093/bib/bbab136.
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Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein-Ligand Binding Affinity Prediction.基于奥利维尔持续 Ricci 曲率的机器学习在蛋白质-配体结合亲和力预测中的应用。
J Chem Inf Model. 2021 Apr 26;61(4):1617-1626. doi: 10.1021/acs.jcim.0c01415. Epub 2021 Mar 16.
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Brief Bioinform. 2021 Sep 2;22(5). doi: 10.1093/bib/bbaa411.
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Persistent spectral graph.持续谱图。
Int J Numer Method Biomed Eng. 2020 Sep;36(9):e3376. doi: 10.1002/cnm.3376. Epub 2020 Aug 17.
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A review of mathematical representations of biomolecular data.生物分子数据的数学表示方法综述。
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