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用于拉曼光谱去噪的变分模态分解

Variational Mode Decomposition for Raman Spectral Denoising.

作者信息

Bian Xihui, Shi Zitong, Shao Yingjie, Chu Yuanyuan, Tan Xiaoyao

机构信息

State Key Laboratory of Separation Membranes and Membrane Processes, School of Chemical Engineering and Technology, Tiangong University, Tianjin 300387, China.

NMPA Key Laboratory for Technology Research and Evaluation of Drug Products, Shandong University, Jinan 250012, China.

出版信息

Molecules. 2023 Sep 2;28(17):6406. doi: 10.3390/molecules28176406.

Abstract

As a fast and non-destructive spectroscopic analysis technique, Raman spectroscopy has been widely applied in chemistry. However, noise is usually unavoidable in Raman spectra. Hence, denoising is an important step before Raman spectral analysis. A novel spectral denoising method based on variational mode decomposition (VMD) was introduced to solve the above problem. The spectrum is decomposed into a series of modes (uk) by VMD. Then, the high-frequency noise modes are removed and the remaining modes are reconstructed to obtain the denoised spectrum. The proposed method was verified by two artificial noised signals and two Raman spectra of inorganic materials, i.e., MnCo ISAs/CN and Fe-NCNT. For comparison, empirical mode decomposition (EMD), Savitzky-Golay (SG) smoothing, and discrete wavelet transformation (DWT) are also investigated. At the same time, signal-to-noise ratio (SNR) was introduced as evaluation indicators to verify the performance of the proposed method. The results show that compared with EMD, VMD can significantly improve mode mixing and the endpoint effect. Moreover, the Raman spectrum by VMD denoising is more excellent than that of EMD, SG smoothing and DWT in terms of visualization and SNR. For the small sharp peaks, some information is lost after denoising by EMD, SG smoothing, DWT and VMD while VMD loses fewest information. Therefore, VMD may be an alternative method for Raman spectral denoising.

摘要

作为一种快速且无损的光谱分析技术,拉曼光谱已在化学领域得到广泛应用。然而,拉曼光谱中噪声通常难以避免。因此,去噪是拉曼光谱分析之前的重要步骤。为解决上述问题,引入了一种基于变分模态分解(VMD)的新型光谱去噪方法。通过VMD将光谱分解为一系列模态(uk)。然后,去除高频噪声模态,对剩余模态进行重构以获得去噪后的光谱。该方法通过两个人造噪声信号以及两种无机材料(即MnCo ISAs/CN和Fe-NCNT)的拉曼光谱进行了验证。为作比较,还研究了经验模态分解(EMD)、Savitzky-Golay(SG)平滑以及离散小波变换(DWT)。同时,引入信噪比(SNR)作为评估指标来验证所提方法的性能。结果表明,与EMD相比,VMD能显著改善模态混叠和端点效应。此外,在可视化和SNR方面,经VMD去噪后的拉曼光谱比EMD、SG平滑和DWT的更优。对于小的尖锐峰,经EMD、SG平滑、DWT和VMD去噪后会丢失一些信息,而VMD丢失的信息最少。因此,VMD可能是拉曼光谱去噪的一种替代方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5944/10490040/a9eac54d786b/molecules-28-06406-g001.jpg

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