Algorithms for Molecular Biology (Jun 2024)

Metric multidimensional scaling for large single-cell datasets using neural networks

  • Stefan Canzar,
  • Van Hoan Do,
  • Slobodan Jelić,
  • Sören Laue,
  • Domagoj Matijević,
  • Tomislav Prusina

DOI
https://doi.org/10.1186/s13015-024-00265-3
Journal volume & issue
Vol. 19, no. 1
pp. 1 – 12

Abstract

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Abstract Metric multidimensional scaling is one of the classical methods for embedding data into low-dimensional Euclidean space. It creates the low-dimensional embedding by approximately preserving the pairwise distances between the input points. However, current state-of-the-art approaches only scale to a few thousand data points. For larger data sets such as those occurring in single-cell RNA sequencing experiments, the running time becomes prohibitively large and thus alternative methods such as PCA are widely used instead. Here, we propose a simple neural network-based approach for solving the metric multidimensional scaling problem that is orders of magnitude faster than previous state-of-the-art approaches, and hence scales to data sets with up to a few million cells. At the same time, it provides a non-linear mapping between high- and low-dimensional space that can place previously unseen cells in the same embedding.

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