Mr. Dongyue Liu Profile

Dongyue Liu

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Proceedings Article | 27 November 2023 Poster + Paper

Wavelength calibration with deep-learning using long short-term memory architectures

Dongyue Liu, Bryan Hennelly

Proceedings Volume 12770, 127703G (2023) https://doi.org/10.1117/12.2689219

KEYWORDS: Calibration, Deep learning, Spectroscopy, Neon, Machine learning, Krypton

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In this paper, the long-term short-term memory (LSTM) architecture is investigated as a tool for wavelength calibration of a spectrometer. Polynomial fitting is the most common method of wavelength calibration, whereby wavelength standards, such as neon and krypton are recorded and the position of the spectral lines on the detector together with the known wavelengths are used for fitting. The method performs poorly when only a small number of lines appear within the bandwidth recorded by the spectrometer. We demonstrate how the basic encoder-decoder LSTM architecture can be used to provide superior wavelength calibration accuracy when five or less lines are present. We believe with further development, machine learning could outperform the traditional methods in all cases.

Proceedings Article | 9 May 2018 Paper

Investigation of wavenumber calibration for Raman spectroscopy using a polymer reference

Dongyue Liu, Hugh Byrne, Luke O'Neill, Bryan Hennelly

Proceedings Volume 10680, 1068027 (2018) https://doi.org/10.1117/12.2307574

KEYWORDS: Calibration, Raman spectroscopy, Polymers, Spectral calibration, Spectrographs

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Raman spectroscopy is an optical technique that can be used to evaluate the biomolecular composition of tissue and cell samples in a real-time and non-invasive manner. Subtle differences between datasets of spectra obtained from related cell groups can be identified using multivariate statistical algorithms. Such techniques are highly sensitive to small errors, however, and, therefore, the classification sensitivity of Raman spectroscopy can be significantly impacted by miscalibration of the optical system due to small misalignments of the optical elements and/or variation in ambient temperature. Wavenumber calibration is often achieved by recording the spectrum from a wavenumber reference standard, such as 4-acetamidophenol or benzene, which contains numerous sharp peaks in the fingerprint region. Here, we investigate a commercial polymer slide as a wavenumber reference standard for the calibration of Raman spectra. The Raman spectrum of this slide contains numerous sharp peaks in the fingerprint region. Unlike many other reference standards, the polymer slide is non-hazardous, has an indefinite lifetime, and is designed in the shape of a glass slide used for microscopy. We evaluate this reference in terms of accuracy and repeatability, and we compare with the established 4-Acetamidophenol wavenumber reference.

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