Bridging Spectral Gaps: Cross-Device Model Generalization in Blood-Based Infrared Spectroscopy.

Journal: Analytical chemistry
Published Date:

Abstract

This paper presents a solution to the challenge of cross-device model generalization in blood-based infrared spectroscopy. As infrared spectroscopy becomes increasingly popular for analyzing human blood, ensuring that machine learning models trained on one device can be effectively transferred to others is essential. However, variations in device characteristics often reduce model performance when applied across different devices. To address this issue, we propose a straightforward domain adaptation method based on data augmentation incorporating device-specific differences. By expanding the training data to include a broader range of nuances, our approach enhances the model's ability to adapt to the unique characteristics of various devices. We validate the effectiveness of our method through experimental testing on two Fourier-Transform Infrared (FTIR) spectroscopy devices from different research laboratories, demonstrating improved prediction accuracy and reliability.

Authors

  • Flora B Nemeth
    Center for Molecular Fingerprinting (CMF), 1093 Budapest, Hungary.
  • Niklas Leopold-Kerschbaumer
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), 85748 Garching, Germany.
  • Diana Debreceni
    Center for Molecular Fingerprinting (CMF), 1093 Budapest, Hungary.
  • Frank Fleischmann
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany.
  • Krisztian Borbely
    Center for Molecular Fingerprinting (CMF), 1093 Budapest, Hungary.
  • David Mazurencu-Marinescu-Pele
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), 85748 Garching, Germany.
  • Thomas Bocklitz
    Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich Schiller University, Jena, Germany.
  • Mihaela Žigman
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany. Electronic address: mihaela.zigman@mpq.mpg.de.
  • Kosmas V Kepesidis
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany; Center for Molecular Fingerprinting (CMF), Budapest, Hungary.