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Multidimensional scaling improves distance-based clustering for microbiome data

2025· article· en· W4406887020 on OpenAlexaff
Xinyue Wang, Qiang Sun, Zheng-Zheng Tang

Bibliographic record

VenueBioinformatics · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicGut microbiota and health
Canadian institutionsUniversity of Toronto
FundersNational Institute of General Medical SciencesSchool of Medicine and Public Health, University of Wisconsin-Madison
KeywordsCluster analysisComputer scienceMultidimensional scalingMedoidMicrobiomeData miningClustering high-dimensional dataDimensionality reductionArtificial intelligencePattern recognition (psychology)Machine learningBioinformaticsBiology

Abstract

fetched live from OpenAlex

MOTIVATION: Clustering patients into subgroups based on their microbial compositions can greatly enhance our understanding of the role of microbes in human health and disease etiology. Distance-based clustering methods, such as partitioning around medoids (PAM), are popular due to their computational efficiency and absence of distributional assumptions. However, the performance of these methods can be suboptimal when true cluster memberships are driven by differences in the abundance of only a few microbes, a situation known as the sparse signal scenario. RESULTS: We demonstrate that classical multidimensional scaling (MDS), a widely used dimensionality reduction technique, effectively denoises microbiome data and enhances the clustering performance of distance-based methods. We propose a two-step procedure that first applies MDS to project high-dimensional microbiome data into a low-dimensional space, followed by distance-based clustering using the low-dimensional data. Our extensive simulations demonstrate that our procedure offers superior performance compared to directly conducting distance-based clustering under the sparse signal scenario. The advantage of our procedure is further showcased in several real data applications. AVAILABILITY AND IMPLEMENTATION: The R package MDSMClust is available at https://github.com/wxy929/MDS-project.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.008
metaresearch head score (Gemma)0.035
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.008
Threshold uncertainty score0.043

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0080.035
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0020.003
Science and technology studies0.0020.001
Scholarly communication0.0020.002
Open science0.0020.003
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0020.002

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.021
GPT teacher head0.297
Teacher spread0.276 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations7
Published2025
Admission routes1
Has abstractyes

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