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Deep neural network: As the novel pipelines in multiple preprocessing for Raman spectroscopy
Gao, Chi1,2,3; Zhao, Peng1,2,3; Fan, Qi1,2; Jing, Haonan1,2,3; Dang, Ruochen1,2,3; Sun, Weifeng1,2,3; Feng, Yutao1; Hu, Bingliang1,2; Wang, Quan1,2
作者部门光谱成像技术研究室
2023-12-05
发表期刊SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425;1873-3557
卷号302
产权排序1
摘要

Raman spectroscopy is a kind of vibrational method that can rapidly and non-invasively gives chemical structural information with the Raman spectrometer. Despite its technical advantages, in practical application scenarios, Raman spectroscopy often suffers from interference, such as noises and baseline drifts, resulting in the inability to acquire high-quality Raman spectroscopy signals, which brings challenges to subsequent spectral analysis. The commonly applied spectral preprocessing methods, such as Savitzky-Golay smooth and wavelet transform, can only perform corresponding single-item processing and require manual intervention to carry out a series of tedious trial parameters. Especially, each scheme can only be used for a specific data set. In recent years, the development of deep neural networks has provided new solutions for intelligent preprocessing of spectral data. In this paper, we first creatively started from the basic mechanism of spectral signal generation and constructed a mathematical model of the Raman spectral signal. By counting the noise parameters of the real system, we generated a simulation dataset close to the output of the real system, which alleviated the dependence on data during deep learning training. Due to the powerful nonlinear fitting ability of the neural network, fully connected network model is constructed to complete the baseline estimation task simply and quickly. Then building the Unet model can effectively achieve spectral denoising, and combining it with baseline estimation can realize intelligent joint processing. Through the simulation dataset experiment, it is proved that compared with the classic method, the method proposed in this paper has obvious advantages, which can effectively improve the signal quality and further ensure the accuracy of the peak intensity. At the same time, when the proposed method is applied to the actual system, it also achieves excellent

关键词Raman spectroscopy Deep learning Baseline correction Spectroscopy denoising
DOI10.1016/j.saa.2023.123086
收录类别SCI
语种英语
WOS记录号WOS:001058399900001
出版者PERGAMON-ELSEVIER SCIENCE LTD
引用统计
被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.opt.ac.cn/handle/181661/96761
专题光谱成像技术研究室
通讯作者Wang, Quan
作者单位1.Chinese Acad Sci, Xian Inst Opt & Precis Mech, Xian 710076, Shaanxi, Peoples R China
2.Key Lab Biomed Spect Xian, Xian 710119, Shaanxi, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714
Gao, Chi,Zhao, Peng,Fan, Qi,et al. Deep neural network: As the novel pipelines in multiple preprocessing for Raman spectroscopy[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2023,302.
APA Gao, Chi.,Zhao, Peng.,Fan, Qi.,Jing, Haonan.,Dang, Ruochen.,...&Wang, Quan.(2023).Deep neural network: As the novel pipelines in multiple preprocessing for Raman spectroscopy.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,302.
MLA Gao, Chi,et al."Deep neural network: As the novel pipelines in multiple preprocessing for Raman spectroscopy".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 302(2023).
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