拉曼高光谱图像中的拉曼和光致发光信号分离,包括降噪

IF 2.4 3区 化学 Q2 SPECTROSCOPY
Jonne J. Goedhart, Thijs P. Kuipers, Vassilis M. Papadakis
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引用次数: 0

摘要

拉曼高光谱成像(RHSI)是获取材料化学成分关键信息的重要工具。然而,要获得清晰的拉曼信号并非易事。原始拉曼信号很容易受到光致发光干扰和噪声的影响。因此,RHSI 的预处理是进行有效可靠的化学分析的必要步骤。主要的挑战是将测量到的 RHSI 分离成单独的拉曼光致发光信号。由于不存在黄金标准,因此验证分离信号的正确性并非易事。虽然目前最先进的预处理方法很有效,但它们需要专家知识,而且涉及不直观的超参数。目前的方法还缺乏通用性,需要根据具体情况进行大量的超参数调整,而即使这样,结果也不一定总能达到预期。为此,本研究提出了一种新颖的迭代 RHSI 预处理管道,用于分割原始拉曼信号和去除基于线性样条和径向基函数回归(IlsaRBF)的噪声。所提出的方法涉及基于拉曼光谱物理特性的超参数,使用起来非常直观。这使得超参数更加稳健和稳定,从而减少了大量超参数调整的必要性。全面的评估表明,所提出的方法优于目前最先进的方法。此外,还引入了宇宙射线识别和去除算法(CRIR)以及用于降噪的动态 PCA。我们还提供了一个包含我们所提方法的独立工具,使更多人可以使用 RHSI 预处理方法,从而有助于拉曼光谱领域的进一步研究和进步。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Raman and photoluminescence signal separation in Raman hyperspectral imagery including noise reduction

Raman and photoluminescence signal separation in Raman hyperspectral imagery including noise reduction

Raman and photoluminescence signal separation in Raman hyperspectral imagery including noise reduction

Raman hyperspectral imaging (RHSI) is a valuable tool for gaining crucial information about the chemical composition of materials. However, obtaining clear Raman signals is not always a trivial task. Raw Raman signals can be susceptible to photoluminescence interference and noise. Hence, the preprocessing of RHSI is a required step for an effective and reliable chemical analysis. The main challenge is splitting the measured RHSI into separate Raman photoluminescence signals. Since no golden-standard exists, it is non-trivial to validate the correctness of the separated signals. While current state-of-the-art preprocessing methods are effective, they require expert knowledge and involve unintuitive hyperparameters. Current approaches also lack generalizability, requiring extensive hyperparameter tuning on a case-by-case basis, while even then results are not always as expected. To this end, this work proposes a novel iterative RHSI preprocessing pipeline for splitting raw Raman signals and noise removal based on linear spline and radial basis function regression (IlsaRBF). The proposed method involves hyperparameters based on the physical properties of Raman spectroscopy, making them intuitive to use. This leads to more robust and stable hyperparameters, reducing the necessity for extensive hyperparameter tuning. A thorough evaluation shows that the proposed method outperforms the current state-of-the-art. Additionally, a cosmic ray identification and removal algorithm (CRIR) and dynamic PCA for noise reduction are introduced. A standalone tool containing our proposed methods is provided, making RHSI preprocessing available to a broader audience, aiding further research and advancements in the field of Raman spectroscopy.

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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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