Nguyen-Xuan Hau , Nguyen-Thanh Tuan , Lai-Quang Trung, Tran-Thuy Chi
{"title":"利用可见光和近红外光谱估算越南红河三角洲的土壤有机碳含量","authors":"Nguyen-Xuan Hau , Nguyen-Thanh Tuan , Lai-Quang Trung, Tran-Thuy Chi","doi":"10.1016/j.chemolab.2024.105253","DOIUrl":null,"url":null,"abstract":"<div><div>Accurate estimation of Soil Organic Carbon (SOC) is vital for assessing soil fertility, health, and carbon sequestration. Visible and Near-Infrared (Vis-NIR) spectroscopy has gained popularity worldwide for SOC estimation due to its cost-effectiveness and environmental benefits. However, inconsistencies arise from varying preprocessing techniques and regression models applied across different datasets and regions. Few studies explore combinations of spectral preprocessing, modeling algorithms, and resampling techniques. This study presents the first SOC estimation using Vis-NIR spectroscopy in the Red River Delta, Vietnam. We assessed estimation performances incorporating fifteen preprocessing techniques, four regression models, and three resampling methods to identify the most effective strategies. Standard Normal Variate (SNV) emerged as the top preprocessing technique, while Partial Least Squares Regression (PLSR) demonstrated the highest accuracy with minimal discrepancies between calibration and validation. Regarding resampling methods, repeated cross-validation (repeatedcv) proved most robust, with simple cross-validation as an alternative. By utilizing SNV, PLSR, and repeatedcv, we achieved the first successful Vis-NIR spectroscopy-based SOC estimation in the Red River Delta and Vietnam. This approach satisfied stringent statistical criteria for predictive models, yielding validation performance metrics of R<sup>2</sup> = 0.740, RMSE = 0.166, RPD = 2.337, and RPIQ = 2.321. Our findings highlight the importance of optimizing preprocessing, regression, and resampling techniques for accurate Vis-NIR spectroscopy-based SOC prediction.</div></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"255 ","pages":"Article 105253"},"PeriodicalIF":3.7000,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Estimation of soil organic carbon content using visible and near-infrared spectroscopy in the Red River Delta, Vietnam\",\"authors\":\"Nguyen-Xuan Hau , Nguyen-Thanh Tuan , Lai-Quang Trung, Tran-Thuy Chi\",\"doi\":\"10.1016/j.chemolab.2024.105253\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Accurate estimation of Soil Organic Carbon (SOC) is vital for assessing soil fertility, health, and carbon sequestration. Visible and Near-Infrared (Vis-NIR) spectroscopy has gained popularity worldwide for SOC estimation due to its cost-effectiveness and environmental benefits. However, inconsistencies arise from varying preprocessing techniques and regression models applied across different datasets and regions. Few studies explore combinations of spectral preprocessing, modeling algorithms, and resampling techniques. This study presents the first SOC estimation using Vis-NIR spectroscopy in the Red River Delta, Vietnam. We assessed estimation performances incorporating fifteen preprocessing techniques, four regression models, and three resampling methods to identify the most effective strategies. Standard Normal Variate (SNV) emerged as the top preprocessing technique, while Partial Least Squares Regression (PLSR) demonstrated the highest accuracy with minimal discrepancies between calibration and validation. Regarding resampling methods, repeated cross-validation (repeatedcv) proved most robust, with simple cross-validation as an alternative. By utilizing SNV, PLSR, and repeatedcv, we achieved the first successful Vis-NIR spectroscopy-based SOC estimation in the Red River Delta and Vietnam. This approach satisfied stringent statistical criteria for predictive models, yielding validation performance metrics of R<sup>2</sup> = 0.740, RMSE = 0.166, RPD = 2.337, and RPIQ = 2.321. Our findings highlight the importance of optimizing preprocessing, regression, and resampling techniques for accurate Vis-NIR spectroscopy-based SOC prediction.</div></div>\",\"PeriodicalId\":9774,\"journal\":{\"name\":\"Chemometrics and Intelligent Laboratory Systems\",\"volume\":\"255 \",\"pages\":\"Article 105253\"},\"PeriodicalIF\":3.7000,\"publicationDate\":\"2024-10-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemometrics and Intelligent Laboratory Systems\",\"FirstCategoryId\":\"94\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S016974392400193X\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"AUTOMATION & CONTROL SYSTEMS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S016974392400193X","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
Estimation of soil organic carbon content using visible and near-infrared spectroscopy in the Red River Delta, Vietnam
Accurate estimation of Soil Organic Carbon (SOC) is vital for assessing soil fertility, health, and carbon sequestration. Visible and Near-Infrared (Vis-NIR) spectroscopy has gained popularity worldwide for SOC estimation due to its cost-effectiveness and environmental benefits. However, inconsistencies arise from varying preprocessing techniques and regression models applied across different datasets and regions. Few studies explore combinations of spectral preprocessing, modeling algorithms, and resampling techniques. This study presents the first SOC estimation using Vis-NIR spectroscopy in the Red River Delta, Vietnam. We assessed estimation performances incorporating fifteen preprocessing techniques, four regression models, and three resampling methods to identify the most effective strategies. Standard Normal Variate (SNV) emerged as the top preprocessing technique, while Partial Least Squares Regression (PLSR) demonstrated the highest accuracy with minimal discrepancies between calibration and validation. Regarding resampling methods, repeated cross-validation (repeatedcv) proved most robust, with simple cross-validation as an alternative. By utilizing SNV, PLSR, and repeatedcv, we achieved the first successful Vis-NIR spectroscopy-based SOC estimation in the Red River Delta and Vietnam. This approach satisfied stringent statistical criteria for predictive models, yielding validation performance metrics of R2 = 0.740, RMSE = 0.166, RPD = 2.337, and RPIQ = 2.321. Our findings highlight the importance of optimizing preprocessing, regression, and resampling techniques for accurate Vis-NIR spectroscopy-based SOC prediction.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.