Peak-aware adaptive denoising for Raman spectroscopy based on machine learning approach

IF 2.4 3区 化学 Q2 SPECTROSCOPY Journal of Raman Spectroscopy Pub Date : 2024-01-08 DOI:10.1002/jrs.6648
Juhyung Lee, Woonghee Lee
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Abstract

Raman spectroscopy can be effectively used for detection and analysis of chemical agents that are serious threats in modern warfare, but the detection and analysis performance is prone to deterioration due to noise. The existing denoising technique has limitations that there is no criterion for selecting the window length and that the filtering distorts the peaks, key features for Raman spectral data analysis. To overcome such limitations, in this paper, we propose the peak-aware adaptive denoising for Raman spectroscopy based on machine learning approach. The proposed technique utilizes the information of detected peaks to eliminate noise effectively using different window values optimal for each region in the Raman spectrum while preserving the shape of peaks. We conducted the various analyses and experiments, and the proposed technique showed a 28% lower Euclidean distance and a 48% lower Fréchet inception distance compared to the existing technique, meaning the proposed technique outperformed the existing one.

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基于机器学习方法的拉曼光谱峰值感知自适应去噪技术
拉曼光谱可有效用于探测和分析现代战争中严重威胁人类的化学制剂,但其探测和分析性能易受噪声影响而下降。现有的去噪技术存在局限性,即没有选择窗口长度的标准,而且滤波会扭曲拉曼光谱数据分析的关键特征--峰值。为了克服这些局限性,我们在本文中提出了基于机器学习方法的拉曼光谱峰值感知自适应去噪技术。所提出的技术利用检测到的峰值信息,在保留峰值形状的同时,针对拉曼光谱中的每个区域使用不同的最佳窗口值来有效消除噪声。我们进行了各种分析和实验,与现有技术相比,提出的技术欧氏距离降低了 28%,弗雷谢特初始距离降低了 48%,这意味着提出的技术优于现有技术。
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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
期刊介绍: The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications. Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.
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