深度学习在行星探测用紫外拉曼光谱定量分析二元固体色散中的应用

IF 4.3 2区 化学 Q1 SPECTROSCOPY
Xiaoyu Wang, Hongkun Qu, Ziyuan Wang, Ping Liu, Changqing Liu, Zongcheng Ling
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引用次数: 0

摘要

拉曼光谱作为一种地表矿物分析与探测技术,因其无损、分辨率高、无需制样、实时分析能力强等优点,在深空探测中得到了广泛的应用。基于不同矿物和有机物的独特指纹拉曼光谱,拉曼光谱可以准确识别物种并定性分析其化学成分,有助于进一步解释地质形成和蚀变过程,确定行星探测任务中潜在的生物特征。在本研究中,提出并研究了一种用于紫外拉曼光谱定量分析的深度学习模型,称为Inception-ResNet-v1模型,具有挤压和激发块(IRMSE)。该模型通过深度残差网络从拉曼光谱中自动学习和提取成分信息,并利用注意机制从冗余特征中选择当前任务最关键的信息。实验结果表明,对于不同含量的矿物间或矿物与有机物间的固体分散体的定量分析,该模型的预测精度远高于传统方法。因此,本研究验证了利用行星探测任务收集的拉曼光谱将深度学习用于矿物和有机物质定量分析的可行性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Application of deep learning on quantitative analysis of binary solid dispersions by UV Raman spectroscopy for planetary exploration

Application of deep learning on quantitative analysis of binary solid dispersions by UV Raman spectroscopy for planetary exploration
As a surface mineral analysis and detection technology, Raman spectroscopy is widely used in deep space exploration because of its advantages, such as non-destructiveness, high resolution, no need for sample preparation, and real-time analysis capability. Based on the unique fingerprint Raman spectra of different minerals and organics, Raman spectroscopy can be used to accurately identify the species and qualitatively analyze its chemical compositions, which would help to further explain the geological formation and alteration processes and determine the potential biological characteristics during the planetary exploration missions. In this study, a deep learning model, which is called Inception-ResNet-v1 model with a squeeze-and-excitation block (IRMSE), for the quantitative analysis of UV Raman spectra is proposed and investigated. This model can automatically learn and extract component information from Raman spectra through deep residual networks and use attention mechanisms to select the most critical information for the current task from redundant features. Experimental results indicate that the prediction accuracy of the proposed model is much better than that of traditional methods for the quantitative analysis of the solid dispersions of different contents between minerals or between minerals and organic compounds. Therefore, this study validates the feasibility of using deep learning for the quantitative analysis of minerals and organic materials by Raman spectra collected by planetary exploration missions.
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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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