Yutong Sui , Xiaoyu Zhao , Cheng Liu , Yue Zhao , Lijing Cai , Yuchen Tong
{"title":"CWBLS网络及其在便携式频谱测量中的应用","authors":"Yutong Sui , Xiaoyu Zhao , Cheng Liu , Yue Zhao , Lijing Cai , Yuchen Tong","doi":"10.1016/j.saa.2025.126329","DOIUrl":null,"url":null,"abstract":"<div><div>The research presents a novel approach called the D-CWBLS network to address the challenges of poor accuracy and stability in regression models caused by low-signal-to-noise-ratio and low reproducibility data in portable near-infrared spectroscopy. The D-CWBLS network improves upon the BLS network in three key aspects. Firstly, it expands the network structure by incorporating Near-Infrared characteristic spectral band data, thereby emphasizing important information and enhancing accuracy. Secondly, it deepens the network by adding a Dropout layer vertically, optimizing the structure, eliminating redundant information, and improving robustness. Lastly, it combines optimized feature node weight matrices and enhanced node weight matrices to eliminate uncertainty resulting from randomness during network training, subsequently improving robustness. In tests examining model reproducibility, accuracy, and robustness, the D-CWBLS model demonstrated superior performance compared to traditional machine learning models (PLSR, BP-ANN, and ELM), as well as deep learning models (MLP, CNN, and RNN), and even basic BLS and CWBLS models. This highlights the significant progress made by the D-CWBLS model in addressing the challenges associated with using portable near-infrared spectroscopy devices in outdoor settings, exhibiting higher reliability and applicability.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126329"},"PeriodicalIF":4.3000,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"CWBLS network and its application in portable spectral measurement\",\"authors\":\"Yutong Sui , Xiaoyu Zhao , Cheng Liu , Yue Zhao , Lijing Cai , Yuchen Tong\",\"doi\":\"10.1016/j.saa.2025.126329\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The research presents a novel approach called the D-CWBLS network to address the challenges of poor accuracy and stability in regression models caused by low-signal-to-noise-ratio and low reproducibility data in portable near-infrared spectroscopy. The D-CWBLS network improves upon the BLS network in three key aspects. Firstly, it expands the network structure by incorporating Near-Infrared characteristic spectral band data, thereby emphasizing important information and enhancing accuracy. Secondly, it deepens the network by adding a Dropout layer vertically, optimizing the structure, eliminating redundant information, and improving robustness. Lastly, it combines optimized feature node weight matrices and enhanced node weight matrices to eliminate uncertainty resulting from randomness during network training, subsequently improving robustness. In tests examining model reproducibility, accuracy, and robustness, the D-CWBLS model demonstrated superior performance compared to traditional machine learning models (PLSR, BP-ANN, and ELM), as well as deep learning models (MLP, CNN, and RNN), and even basic BLS and CWBLS models. This highlights the significant progress made by the D-CWBLS model in addressing the challenges associated with using portable near-infrared spectroscopy devices in outdoor settings, exhibiting higher reliability and applicability.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"340 \",\"pages\":\"Article 126329\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-05-03\",\"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/S1386142525006353\",\"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/S1386142525006353","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
CWBLS network and its application in portable spectral measurement
The research presents a novel approach called the D-CWBLS network to address the challenges of poor accuracy and stability in regression models caused by low-signal-to-noise-ratio and low reproducibility data in portable near-infrared spectroscopy. The D-CWBLS network improves upon the BLS network in three key aspects. Firstly, it expands the network structure by incorporating Near-Infrared characteristic spectral band data, thereby emphasizing important information and enhancing accuracy. Secondly, it deepens the network by adding a Dropout layer vertically, optimizing the structure, eliminating redundant information, and improving robustness. Lastly, it combines optimized feature node weight matrices and enhanced node weight matrices to eliminate uncertainty resulting from randomness during network training, subsequently improving robustness. In tests examining model reproducibility, accuracy, and robustness, the D-CWBLS model demonstrated superior performance compared to traditional machine learning models (PLSR, BP-ANN, and ELM), as well as deep learning models (MLP, CNN, and RNN), and even basic BLS and CWBLS models. This highlights the significant progress made by the D-CWBLS model in addressing the challenges associated with using portable near-infrared spectroscopy devices in outdoor settings, exhibiting higher reliability and applicability.
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.