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High-throughput technologies to collect field data have made observations possible at scale in several branches of life sciences. The data collected can range from the molecular level (genotypes) to physiological (phenotypic traits) and…

Computational Geometry · Computer Science 2021-07-07 Youjia Zhou , Methun Kamruzzaman , Patrick Schnable , Bala Krishnamoorthy , Ananth Kalyanaraman , Bei Wang

There is a growing need for unbiased clustering methods, ideally automated. We have developed a topology-based analysis tool called Two-Tier Mapper (TTMap) to detect subgroups in global gene expression datasets and identify their…

Genomics · Quantitative Biology 2018-01-08 Rachel Jeitziner , Mathieu Carrière , Jacques Rougemont , Steve Oudot , Kathryn Hess , Cathrin Brisken

An approach that combines Self-Organizing maps, hierarchical clustering and network components is presented, aimed at comparing protein conformational ensembles obtained from multiple Molecular Dynamic simulations. As a first result the…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Domenico Fraccalvieri , Laura Bonati , Fabio Stella

Lifemapper (http://www.lifemapper.org) is a predictive electronic atlas of the Earth's biological biodiversity. Using a screensaver version of the GARP genetic algorithm for modeling species distributions, Lifemapper harnesses vast…

Quantitative Methods · Quantitative Biology 2011-11-09 David R. B. Stockwell , James H. Beach , Aimee Stewart , Gregory Vorontsov , David Vieglais , Ricardo Scachetti Pereira

Objective: Data clustering is a common exploration step in the omics era, notably in genomics and proteomics where many genes or proteins can bequantified from one or more experiments. Bayesian clustering is a powerful algorithm that can…

Quantitative Methods · Quantitative Biology 2022-04-14 Pierre Poulain , Jean-Michel Camadro

Mapper, a topological algorithm, is frequently used as an exploratory tool to build a graphical representation of data. This representation can help to gain a better understanding of the intrinsic shape of high-dimensional genomic data and…

Genomics · Quantitative Biology 2023-07-19 Erik J. Amézquita , Farzana Nasrin , Kathleen M. Storey , Masato Yoshizawa

A cloud-hosted web-based software application, nmfMapping, for carrying out a nonnegative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This app allows structure scientists…

A prototype for a web application was designed and implemented as a guide to be used by clinicians when designing the best drug therapy for a specific cancer patient, given biological data derived from the patients tumor tissue biopsy. A…

Molecular Networks · Quantitative Biology 2014-05-15 Elinor Velasquez , Jorge Soto-Andrade , Ben Bongalon

Discrete mixture models provide a well-known basis for effective clustering algorithms, although technical challenges have limited their scope. In the context of gene-expression data analysis, a model is presented that mixes over a finite…

Methodology · Statistics 2012-11-12 Michael A. Newton , Lisa M. Chung

Mapper is an unsupervised machine learning algorithm generalising the notion of clustering to obtain a geometric description of a dataset. The procedure splits the data into possibly overlapping bins which are then clustered. The output of…

Algebraic Topology · Mathematics 2019-06-05 Francisco Belchí , Jacek Brodzki , Matthew Burfitt , Mahesan Niranjan

Ontology matching is defined as finding a relationship or correspondence between two or more entities in two or more ontologies. To solve the interoperability problem of the domain ontologies, semantically similar entities in these…

Artificial Intelligence · Computer Science 2024-04-24 Sefika Efeoglu

Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate…

Machine Learning · Computer Science 2022-10-13 Matteo Aldeghi , Connor W. Coley

Mapper is an algorithm that summarizes the topological information contained in a dataset and provides an insightful visualization. It takes as input a point cloud which is possibly high-dimensional, a filter function on it and an open…

Algebraic Topology · Mathematics 2019-03-12 Bishal Deb , Ankita Sarkar , Nupur Kumari , Akash Rupela , Piyush Gupta , Balaji Krishnamurthy

The Mapper algorithm is a fundamental tool in exploratory topological data analysis for identifying connectivity and topological clustering in data. Derived from the nerve construction, Mapper graphs can contain additional information about…

Computational Geometry · Computer Science 2025-09-30 Halley Fritze

Mapper and Ball Mapper are Topological Data Analysis tools used for exploring high dimensional point clouds and visualizing scalar-valued functions on those point clouds. Inspired by open questions in knot theory, new features are added to…

Algebraic Topology · Mathematics 2023-03-29 Paweł Dłotko , Davide Gurnari , Radmila Sazdanovic

Acquiring plausible pathways on high-dimensional structural distributions is beneficial in several domains. For example, in the drug discovery field, a protein conformational pathway, i.e. a highly probable sequence of protein structural…

Quantitative Methods · Quantitative Biology 2025-06-04 Ziyad Oulhaj , Yoshiyuki Ishii , Kento Ohga , Kimihiro Yamazaki , Mutsuyo Wada , Yuhei Umeda , Takashi Kato , Yuichiro Wada , Hiroaki Kurihara

The Mapper algorithm is a visualization technique in topological data analysis (TDA) that outputs a graph reflecting the structure of a given dataset. However, the Mapper algorithm requires tuning several parameters in order to generate a…

Machine Learning · Computer Science 2025-02-19 Enrique Alvarado , Robin Belton , Emily Fischer , Kang-Ju Lee , Sourabh Palande , Sarah Percival , Emilie Purvine

Metabolomic data sets provide a direct read-out of cellular phenotypes and are increasingly generated to study biological questions. Our previous work revealed the potential of analyzing extracellular metabolomic data in the context of the…

Molecular Networks · Quantitative Biology 2016-06-10 Maike K. Aurich , Ronan M. T. Fleming , Ines Thiele

Topological data analysis aims to extract topological quantities from data, which tend to focus on the broader global structure of the data rather than local information. The Mapper method, specifically, generalizes clustering methods to…

Machine Learning · Computer Science 2019-10-22 Jacek Cyranka , Alexander Georges , David Meyer

The number of RDF knowledge graphs available on the Web grows constantly. Gathering these graphs at large scale for downstream applications hence requires the use of crawlers. Although Data Web crawlers exist, and general Web crawlers could…

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