Efficient Compression of Mass Spectrometry Images via Contrastive Learning-Based Encoding

In this study, we introduce a novel encoding algorithm utilizing contrastive learning to address the substantial data size challenges inherent in mass spectrometry imaging. Our algorithm compresses MSI data into fixed-length vectors, significantly reducing storage requirements while maintaining crucial diagnostic information. Through rigorous testing on data sets, including mouse bladder cross sections and biopsies from patients with Barrett's esophagus, we demonstrate that our method not only reduces the data size but also preserves the essential features for accurate analysis. Segmentation tasks performed on both raw and encoded images using traditional <i>k</i>-means and our proposed iterative <i>k</i>-means algorithm show that the encoded images achieve the same or even higher accuracy than the segmentation on raw images. Finally, reducing the size of images makes it possible to perform t-SNE, a technique intended for frequent use in the field to gain a deeper understanding of measured tissues. However, its application has so far been limited by computational capabilities. The algorithm's code, written in Python, is available on our GitHub page https://github.com/kskrajny/MSI-Segmentation.

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Publication Details

Journal
Analytical Chemistry
Published
2025-07-21
DOI
https://doi.org/10.1021/acs.analchem.4c06913
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
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article

Efficient Compression of Mass Spectrometry Images via Contrastive Learning-Based Encoding

Piotr Radziński, Benjamin Balluff, Dirk Valkenborg, Anna Gambin et al.
Analytical Chemistry
Spectroscopy and Chemometric Analyses
article

Efficient Compression of Mass Spectrometry Images via Contrastive Learning-Based Encoding

Piotr Radziński, Benjamin Balluff, Dirk Valkenborg, Anna Gambin, Michał Aleksander Ciach, Jakub Skrajny, Maurycy Moczulski
article en

Abstract

In this study, we introduce a novel encoding algorithm utilizing contrastive learning to address the substantial data size challenges inherent in mass spectrometry imaging. Our algorithm compresses MSI data into fixed-length vectors, significantly reducing storage requirements while maintaining crucial diagnostic information. Through rigorous testing on data sets, including mouse bladder cross sections and biopsies from patients with Barrett's esophagus, we demonstrate that our method not only reduces the data size but also preserves the essential features for accurate analysis. Segmentation tasks performed on both raw and encoded images using traditional <i>k</i>-means and our proposed iterative <i>k</i>-means algorithm show that the encoded images achieve the same or even higher accuracy than the segmentation on raw images. Finally, reducing the size of images makes it possible to perform t-SNE, a technique intended for frequent use in the field to gain a deeper understanding of measured tissues. However, its application has so far been limited by computational capabilities. The algorithm's code, written in Python, is available on our GitHub page https://github.com/kskrajny/MSI-Segmentation.

Analytical ChemistryVol. 97(29)
University of Malta (MT), Maastricht University (NL), Statistical Service (CY), Institute of Biomedical Science (GB), University of Warsaw (PL), Hasselt University (BE)
Openalex Percentile: Top 80%
Spectroscopy and Chemometric Analyses
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Efficient Compression of Mass Spectrometry Images via Contrastive Learning-Based Encoding — Piotr Radziński, Benjamin Balluff, et al. · Analytical Chemistry (2025) | TGRS Research Map | TGRS