Cluster-based multidimensional scaling embedding tool for data visualization

Fuente: arXiv
Saved in:
Bibliographic Details
Main Authors: Hernández-León, Patricia, Caro, Miguel A.
Format: Preprint
Published: 2022
Subjects:
Online Access:
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1866929355509202944
author Hernández-León, Patricia
Caro, Miguel A.
author_facet Hernández-León, Patricia
Caro, Miguel A.
contents We present a new technique for visualizing high-dimensional data called cluster MDS (cl-MDS), which addresses a common difficulty of dimensionality reduction methods: preserving both local and global structures of the original sample in a single 2-dimensional visualization. Its algorithm combines the well-known multidimensional scaling (MDS) tool with the $k$-medoids data clustering technique, and enables hierarchical embedding, sparsification and estimation of 2-dimensional coordinates for additional points. While cl-MDS is a generally applicable tool, we also include specific recipes for atomic structure applications. We apply this method to non-linear data of increasing complexity where different layers of locality are relevant, showing a clear improvement in their retrieval and visualization quality.
format Preprint
id arxiv_https___arxiv_org_abs_2209_06614
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Cluster-based multidimensional scaling embedding tool for data visualization
Hernández-León, Patricia
Caro, Miguel A.
Graphics
Materials Science
We present a new technique for visualizing high-dimensional data called cluster MDS (cl-MDS), which addresses a common difficulty of dimensionality reduction methods: preserving both local and global structures of the original sample in a single 2-dimensional visualization. Its algorithm combines the well-known multidimensional scaling (MDS) tool with the $k$-medoids data clustering technique, and enables hierarchical embedding, sparsification and estimation of 2-dimensional coordinates for additional points. While cl-MDS is a generally applicable tool, we also include specific recipes for atomic structure applications. We apply this method to non-linear data of increasing complexity where different layers of locality are relevant, showing a clear improvement in their retrieval and visualization quality.
title Cluster-based multidimensional scaling embedding tool for data visualization
topic Graphics
Materials Science
url https://arxiv.org/abs/2209.06614