bioRxiv Science⌕ Search
Home/Archive/bioRxiv

bioRxiv · 10.1101/630384

New iterative reallocation algorithms based on the silhouette index for numerical classification

Lengyel, A.·Botta-Dukat, Z.
View original source ↗Export metadata ↓

Abstract

AimsTo introduce REMOS, a new iterative reallocation method (with two variants) for vegetation classification, and to compare its performance with OPTSIL. We test (1) how effectively REMOS and OPTSIL maximize mean silhouette width and minimize the number of negative silhouette widths when run on classifications with different structure; (2) how these three methods differ in runtime with different sample sizes; and (3) if classifications by the three reallocation methods differ in the number of diagnostic species, a surrogate for interpretability. Study areaSimulation; example data sets from grasslands in Hungary and forests in Wyoming and Utah, USA. MethodsWe classified random subsets of simulated data with the flexible-beta algorithm for different values of beta. These classifications were subsequently optimized by REMOS and OPTSIL and compared for mean silhouette widths and proportion of negative silhouette widths. Then, we classified three vegetation data sets of different sizes from two to ten clusters, optimized them with the reallocation methods, and compared their runtimes, mean silhouette widths, numbers of negative silhouette widths, and the number of diagnostic species. ResultsIn terms of mean silhouette width, OPTSIL performed the best when the initial classifications already had high mean silhouette width. REMOS algorithms had slightly lower mean silhouette width than what was maximally achievable with OPTSIL but their efficiency was consistent across different initial classifications; thus REMOS was significantly superior to OPTSIL when the initial classification had low mean silhouette width. REMOS resulted in zero or a negligible number of negative silhouette widths across all classifications. OPTSIL performed similarly when the initial classification was effective but could not reach as low proportion of misclassified objects when the initial classification was inefficient. REMOS algorithms were typically more than an order of magnitude faster to calculate than OPTSIL. There was no clear difference between REMOS and OPTSIL in the number of diagnostic species. ConclusionsREMOS algorithms may be preferable to OPTSIL when (1) the primary objective is to reduce or eliminate negative silhouette widths in a classification, (2) the initial classification has low mean silhouette width, or (3) when the time efficiency of the algorithm is important because of the size of the data set or the high number of clusters.

Source connections

Explore related subjects

bioinformaticsPreprint

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Lengyel, A., Botta-Dukat, Z.. 2019-05-07. New iterative reallocation algorithms based on the silhouette index for numerical classification. https://doi.org/10.1101/630384

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related preprints

bioRxiv2026

spatialMET: an open and scalable framework for spatial metabolomics analysis

Mass spectrometry imaging (MSI) enables spatially resolved metabolomics in intact tissue sections, but analysis remains challenging at scale. Existing MSI workflows often require users to combine multiple software tools, while others rely on proprietary vendor software that limits interoperability and reproducibility. To address these challenges, we developed spatialMET, an open-source framework that provides an end-to-end workflow for MSI analysis. spatialMET provides a unified platform for preprocessing, spatial domain detection, and visualization. Downstream analyses include differential abundance testing, spatial autocorrelation and gradient analysis, dimensionality reduction, and correlation network analysis. Spatial domain detection uses hcdist, a C-based hierarchical clustering implementation that substantially reduces runtime and memory use relative to existing R-based approaches. spatialMET can be run through an interactive R Shiny application or as a standalone command-line workflow for larger datasets or high-performance computing environments. Applied to mouse small cell lung cancer MALDI-MSI data containing 284,673 pixels, spatialMET identified tumor-associated, stromal, and adjacent lung spatial domains that aligned with matched histology. Differential abundance analysis identified 117 m/z features that differed between tumor and stromal regions, while spatial autocorrelation analyses revealed spatially structured abundance patterns. Applying spatialMET to mouse lung adenocarcinoma data from an entire lung lobe containing 338,477 pixels further demonstrated scalability and captured spatial heterogeneity across tumor and surrounding lung tissue. In summary, spatialMET provides a scalable, open-source framework for end-to-end spatial metabolomics analysis, and it is distributed as a Docker container for reproducible deployment. Source code and installation instructions are available at https://github.com/biodatalab/spatialMET.

bioinformatics↗
bioRxiv2026

Probing the transcriptome response to shivering in skeletal muscle using a multilayered bioinformatics approach

Cold acclimation holds therapeutic potential for improving metabolic health. We previously demonstrated that repeated cold-induced shivering enhances insulin sensitivity in humans. However, the molecular pathways that underlie the skeletal muscle shivering response, and how these relate to beneficial physiological effects, remain poorly understood. In this study, we combined complementary bioinformatics approaches to allow in-depth analysis of the transcriptomic response of human skeletal muscle to repeated shivering. We identified a robust transcriptional signature and show a sex-specific component in the shivering skeletal muscle response, which seemed to diminish following cold adaptation. Our findings provide mechanistic insights into cold-induced muscle adaptations, shed light on potential interesting molecular targets for further investigation, and emphasize the importance of including both sexes in future cold acclimation studies.

bioinformatics↗
bioRxiv2026

An Information Geometry approach to model topological trajectories and Gene Expression Radius from UMAP geometry.

Understanding the relationship between gene expression dynamics and cellular identity remains a central challenge in single cell biology. Here, we introduce a novel computational and mathematical framework that integrates information geometry, fuzzy topology, and UMAP analysis to model gene expression landscapes derived from single cell RNA sequencing data. We formalize gene expression data as a fuzzy topological space, where interactions between expression points are governed by probabilistic distributions inspired by manifold learning approaches such as UMAP. Within this framework, we define an information geometric structure through a Fisher metric induced by these distributions, enabling the computation of geodesic trajectories that capture cellular differentiation processes. A key contribution of this work is the derivation of analytical conditions, expressed as expression radius formulas, that characterize local neighborhoods in gene expression space. These conditions allow for the identification of genes associated with stem cell states and predictions in transitional cell types in future work. Application of the proposed framework to single cell datasets reveals biologically meaningful gene sets enriched in key regulatory pathways and transcription factors, demonstrating the capacity of our approach to uncover latent structure in complex gene expression data. Our results suggest that integrating differential geometry with statistical learning theory offers a powerful paradigm for modeling genotype and phenotype relationships and cellular state transitions, with potential implications for precision medicine and systems biology.

bioinformatics↗