Stochastic resonance-based Raman spectroscopy denoising

Junqiang Liu, Jijun Tong
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Abstract

Raman spectroscopy is a non-destructive technique that analyzes the vibrational modes and other properties of molecular systems by measuring scattered light from a laser. However, due to the short exposure time and low power of the excitation laser, Raman signals are often very weak, sometimes even weaker than the noise, making them prone to being overwhelmed by noise. This reduces sensitivity and classification accuracy, affecting practical applications.
Currently, traditional denoising methods face several challenges, primarily because their effectiveness heavily depends on manual parameter tuning, which is not beginner-friendly and adds complexity to using these methods. This study proposes an Adaptive Bistable Stochastic Resonance (ABSR) system, which enhances signals by utilizing noise energy and adjusts system parameters through a Particle Swarm Optimization (PSO) algorithm, eliminating the need for manual parameter tuning to achieve optimal signal enhancement.
In the experimental section, the denoising performance of the ABSR algorithm was systematically validated using simulated Raman spectra. The experimental results demonstrate that, compared to traditional methods such as Savitzky–Golay (SG) filtering, Gaussian filtering, Soft and Hard Threshold Wavelet Transform (SHTWT), Adaptive Savitzky–Golay (ASG), and Stein’s Unbiased Risk Estimate Wavelet Transform (SUREWT), the ABSR algorithm exhibits significant advantages in denoising effectiveness. Specifically, ABSR is more effective in preserving the detailed features of spectral signals while demonstrating superior performance in noise suppression. Besides, using Raman spectra from diabetic patients, ABSR showed significant improvements in SNR and RMSE, and performed better in classification algorithms like SVM, Random Forest, and Decision Trees. The ABSR method effectively enhances Raman spectral resolution, reduces laser exposure, and is simple to use, making it valuable for beginners in Raman spectroscopy research.

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基于随机共振的拉曼光谱去噪
拉曼光谱是一种非破坏性技术,通过测量激光散射光来分析分子系统的振动模式和其他特性。然而,由于激发激光的曝光时间短、功率低,拉曼信号往往非常微弱,有时甚至弱于噪声,容易被噪声淹没。这降低了灵敏度和分类精度,影响了实际应用。目前,传统的去噪方法面临着一些挑战,主要是因为它们的有效性严重依赖于手动参数调整,这对初学者来说并不友好,并且增加了使用这些方法的复杂性。本研究提出了一种自适应双稳态随机共振(ABSR)系统,该系统利用噪声能量增强信号,并通过粒子群优化(PSO)算法调整系统参数,从而消除了手动调整参数以达到最优信号增强的需要。在实验部分,利用模拟拉曼光谱系统地验证了ABSR算法的去噪性能。实验结果表明,与传统的Savitzky-Golay (SG)滤波、高斯滤波、软硬阈值小波变换(SHTWT)、自适应Savitzky-Golay (ASG)、Stein’s无偏风险估计小波变换(SUREWT)等方法相比,ABSR算法在去噪效果上具有显著优势。具体来说,ABSR在保留频谱信号细节特征的同时,表现出了优越的噪声抑制性能。此外,利用糖尿病患者的拉曼光谱,ABSR在信噪比和RMSE方面均有显著提高,并且在SVM、Random Forest和Decision Trees等分类算法上表现更好。ABSR方法有效地提高了拉曼光谱分辨率,减少了激光曝光,使用简单,对拉曼光谱研究的初学者很有价值。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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