CWBLS网络及其在便携式频谱测量中的应用

IF 4.3 2区 化学 Q1 SPECTROSCOPY
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 ,&nbsp;Xiaoyu Zhao ,&nbsp;Cheng Liu ,&nbsp;Yue Zhao ,&nbsp;Lijing Cai ,&nbsp;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 ,&nbsp;Xiaoyu Zhao ,&nbsp;Cheng Liu ,&nbsp;Yue Zhao ,&nbsp;Lijing Cai ,&nbsp;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}
引用次数: 0

摘要

该研究提出了一种名为D-CWBLS网络的新方法,以解决便携式近红外光谱中由于低信噪比和低再现性数据而导致的回归模型精度和稳定性差的挑战。D-CWBLS网络在BLS网络的基础上进行了三个关键改进。首先,结合近红外特征光谱波段数据扩展网络结构,突出重要信息,提高精度;其次,通过纵向增加Dropout层对网络进行深度,优化结构,消除冗余信息,提高鲁棒性。最后,结合优化的特征节点权矩阵和增强的节点权矩阵,消除了网络训练过程中随机性带来的不确定性,提高了鲁棒性。在检验模型可重复性、准确性和鲁棒性的测试中,与传统的机器学习模型(PLSR、BP-ANN和ELM)、深度学习模型(MLP、CNN和RNN),甚至基本的BLS和CWBLS模型相比,D-CWBLS模型表现出了优越的性能。这凸显了D-CWBLS模型在解决在室外环境中使用便携式近红外光谱设备所面临的挑战方面取得的重大进展,显示出更高的可靠性和适用性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

CWBLS network and its application in portable spectral measurement

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.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信