{"title":"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","authors":"Xiaoyu Wang, Hongkun Qu, Ziyuan Wang, Ping Liu, Changqing Liu, Zongcheng Ling","doi":"10.1016/j.saa.2025.126154","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126154"},"PeriodicalIF":4.3000,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Application of deep learning on quantitative analysis of binary solid dispersions by UV Raman spectroscopy for planetary exploration\",\"authors\":\"Xiaoyu Wang, Hongkun Qu, Ziyuan Wang, Ping Liu, Changqing Liu, Zongcheng Ling\",\"doi\":\"10.1016/j.saa.2025.126154\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"339 \",\"pages\":\"Article 126154\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-04-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525004603\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525004603","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
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.
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.