Advanced spectral reconstruction (ASR) for setup-independent universal Raman spectroscopy models

Chemometrics and Intelligent Laboratory Systems(2023)

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摘要
Raman spectroscopy is a versatile tool for the non-invasive determination of system or material properties. The desired information about a property or state must always be extracted from the acquired spectra. To that end, a variety of techniques ranging from data-driven machine learning methods to physics-based modeling of spectra are applied. However, most of these techniques suffer from setup dependency, i.e. even minor changes in the experimental setup can lead to major prediction errors when applying previously generated models. Consequently, laborious retraining, recalibration, or even complete rebuilding of a method are required.
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关键词
Raman spectroscopy,Quantitative spectral analysis,Universal Raman model,Model transfer,Spectral reconstruction
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