Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets

Abstract Small datasets are common in many fields due to factors such as limited data collection opportunities or privacy concerns. These datasets often contain high-dimensional features, yet present significant challenges of dimensionality, wherein the sparsity of data in high-dimensional spaces ma...

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Main Authors: Hongqi Niu, Gabrielle B. McCallum, Anne B. Chang, Khalid Khan, Sami Azam
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-025-07725-9
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author Hongqi Niu
Gabrielle B. McCallum
Anne B. Chang
Khalid Khan
Sami Azam
author_facet Hongqi Niu
Gabrielle B. McCallum
Anne B. Chang
Khalid Khan
Sami Azam
author_sort Hongqi Niu
collection DOAJ
description Abstract Small datasets are common in many fields due to factors such as limited data collection opportunities or privacy concerns. These datasets often contain high-dimensional features, yet present significant challenges of dimensionality, wherein the sparsity of data in high-dimensional spaces makes it difficult to extract meaningful information and less accurate predictive models are produced. In this regard, feature extraction algorithms are important in addressing these challenges by reducing dimensionality while retaining essential information. These algorithms can be classified into supervised, unsupervised, and semi-supervised methods and categorized as linear or nonlinear. To overview this critical issue, this review focuses on unsupervised feature extraction algorithms (UFEAs) due to their ability to handle high-dimensional data without relying on labelled information. From this review, eight representative UFEAs were selected: principal component analysis, classical multidimensional scaling, Kernel PCA, isometric mapping, locally linear embedding, Laplacian Eigenmaps, independent component analysis and Autoencoders. The theoretical background of these algorithms has been presented, discussing their conceptual viewpoints, such as whether they are linear or nonlinear, manifold-based, probabilistic density function-based, or neural network-based. After classifying these algorithms using these taxonomies, we thoroughly and systematically reviewed each algorithm from the perspective of their working mechanisms, providing a detailed algorithmic explanation for each UFEA. We also explored how these mechanisms contribute to an effective reduction in dimensionality, particularly in small datasets with high dimensionality. Furthermore, we compared these algorithms in terms of transformation approach, goals, parameters, and computational complexity. Finally, we evaluated each algorithm against state-of-the-art research using various datasets to assess their accuracy, highlighting which algorithm is most appropriate for specific scenarios. Overall, this review provides insights into the strengths and weaknesses of various UFEAs, offering guidance on selecting appropriate algorithms for small high-dimensional datasets.
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spelling doaj-art-032b558e476342358a63bb61dad9993c2025-08-20T03:45:30ZengNature PortfolioScientific Reports2045-23222025-07-0115112110.1038/s41598-025-07725-9Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasetsHongqi Niu0Gabrielle B. McCallum1Anne B. Chang2Khalid Khan3Sami Azam4Faculty of Science and Technology, Charles Darwin UniversityChild and Maternal Health Division and NHMRC Centre for Research Excellence in Paediatric Bronchiectasis (AusBREATHE), Menzies School of Health Research, Charles Darwin UniversityChild and Maternal Health Division and NHMRC Centre for Research Excellence in Paediatric Bronchiectasis (AusBREATHE), Menzies School of Health Research, Charles Darwin UniversityFaculty of Arts and Society, Charles Darwin UniversityFaculty of Science and Technology, Charles Darwin UniversityAbstract Small datasets are common in many fields due to factors such as limited data collection opportunities or privacy concerns. These datasets often contain high-dimensional features, yet present significant challenges of dimensionality, wherein the sparsity of data in high-dimensional spaces makes it difficult to extract meaningful information and less accurate predictive models are produced. In this regard, feature extraction algorithms are important in addressing these challenges by reducing dimensionality while retaining essential information. These algorithms can be classified into supervised, unsupervised, and semi-supervised methods and categorized as linear or nonlinear. To overview this critical issue, this review focuses on unsupervised feature extraction algorithms (UFEAs) due to their ability to handle high-dimensional data without relying on labelled information. From this review, eight representative UFEAs were selected: principal component analysis, classical multidimensional scaling, Kernel PCA, isometric mapping, locally linear embedding, Laplacian Eigenmaps, independent component analysis and Autoencoders. The theoretical background of these algorithms has been presented, discussing their conceptual viewpoints, such as whether they are linear or nonlinear, manifold-based, probabilistic density function-based, or neural network-based. After classifying these algorithms using these taxonomies, we thoroughly and systematically reviewed each algorithm from the perspective of their working mechanisms, providing a detailed algorithmic explanation for each UFEA. We also explored how these mechanisms contribute to an effective reduction in dimensionality, particularly in small datasets with high dimensionality. Furthermore, we compared these algorithms in terms of transformation approach, goals, parameters, and computational complexity. Finally, we evaluated each algorithm against state-of-the-art research using various datasets to assess their accuracy, highlighting which algorithm is most appropriate for specific scenarios. Overall, this review provides insights into the strengths and weaknesses of various UFEAs, offering guidance on selecting appropriate algorithms for small high-dimensional datasets.https://doi.org/10.1038/s41598-025-07725-9UnsupervisedHigh dimensionalitySmall datasetsFeature extraction
spellingShingle Hongqi Niu
Gabrielle B. McCallum
Anne B. Chang
Khalid Khan
Sami Azam
Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
Scientific Reports
Unsupervised
High dimensionality
Small datasets
Feature extraction
title Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
title_full Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
title_fullStr Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
title_full_unstemmed Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
title_short Exploring unsupervised feature extraction algorithms: tackling high dimensionality in small datasets
title_sort exploring unsupervised feature extraction algorithms tackling high dimensionality in small datasets
topic Unsupervised
High dimensionality
Small datasets
Feature extraction
url https://doi.org/10.1038/s41598-025-07725-9
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