Pair-Soil-Spectra: An Approach for NIRS-Based Soil Total Nitrogen Content Detection with Feature Metrics in Cases of Small Sample Sizes
Soil total nitrogen (STN) plays an important role in plant growth, and rapid and nondestructive detection of STN content is essential for agricultural production. Near-infrared spectroscopy (NIRS) takes advantage of the fast detection speed, low cost, and nondestructiveness, and it can be used for S...
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Veröffentlicht in: | Analytical chemistry (Washington) 2025-01, Vol.97 (1), p.454-463 |
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description | Soil total nitrogen (STN) plays an important role in plant growth, and rapid and nondestructive detection of STN content is essential for agricultural production. Near-infrared spectroscopy (NIRS) takes advantage of the fast detection speed, low cost, and nondestructiveness, and it can be used for STN content detection. Typically, NIRS-based approaches require a large number of samples for detection model training. However, it is difficult to collect sufficient samples due to various causes (e.g., time-varying state, high assay costs, etc.) in practical application. To tackle this problem, a feature metric approach is introduced to detect the STN content based on NIRS in this work, and a new approach (named Pair-Soil-Spectra) is proposed to mine fine-grained features by contrasting different soil sample pairs, which takes full advantage of soil particle heterogeneity and NIRS penetration. For the validation of this study, three different soil datasets with various collection sources are selected as research subjects, and the performance of Pair-Soil-Spectra is analyzed from different perspectives. According to the results, Pair-Soil-Spectra has significantly improved the performance of STN content detection models (e.g., partial least-squares (PLS), Cubist, extreme learning machine (ELM), and random forest (RF)) in small sample cases. Of these, the coefficient of determination of RF has improved by 0.13, 0.42, and 0.10, and the root-mean-square of prediction has decreased by 0.15, 0.52, and 0.01 g/kg with different datasets, which has gained the greatest improvement. Meanwhile, this approach can be easily expanded to cover other domains. |
doi_str_mv | 10.1021/acs.analchem.4c04548 |
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Near-infrared spectroscopy (NIRS) takes advantage of the fast detection speed, low cost, and nondestructiveness, and it can be used for STN content detection. Typically, NIRS-based approaches require a large number of samples for detection model training. However, it is difficult to collect sufficient samples due to various causes (e.g., time-varying state, high assay costs, etc.) in practical application. To tackle this problem, a feature metric approach is introduced to detect the STN content based on NIRS in this work, and a new approach (named Pair-Soil-Spectra) is proposed to mine fine-grained features by contrasting different soil sample pairs, which takes full advantage of soil particle heterogeneity and NIRS penetration. For the validation of this study, three different soil datasets with various collection sources are selected as research subjects, and the performance of Pair-Soil-Spectra is analyzed from different perspectives. According to the results, Pair-Soil-Spectra has significantly improved the performance of STN content detection models (e.g., partial least-squares (PLS), Cubist, extreme learning machine (ELM), and random forest (RF)) in small sample cases. Of these, the coefficient of determination of RF has improved by 0.13, 0.42, and 0.10, and the root-mean-square of prediction has decreased by 0.15, 0.52, and 0.01 g/kg with different datasets, which has gained the greatest improvement. Meanwhile, this approach can be easily expanded to cover other domains.</description><identifier>ISSN: 0003-2700</identifier><identifier>ISSN: 1520-6882</identifier><identifier>EISSN: 1520-6882</identifier><identifier>DOI: 10.1021/acs.analchem.4c04548</identifier><identifier>PMID: 39699010</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Agricultural production ; Datasets ; Heterogeneity ; Infrared spectra ; Infrared spectroscopy ; Machine learning ; Near infrared radiation ; Nitrogen ; Plant growth ; Soil analysis ; Soil improvement ; Soils ; Spectrum analysis</subject><ispartof>Analytical chemistry (Washington), 2025-01, Vol.97 (1), p.454-463</ispartof><rights>2024 American Chemical Society</rights><rights>Copyright American Chemical Society Jan 14, 2025</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-a255t-cf6815af580083d72c4179ee6e266c3729dd8b58819eabf8e587a14d744f208f3</cites><orcidid>0000-0001-5506-8828 ; 0000-0003-1684-3072</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/acs.analchem.4c04548$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.analchem.4c04548$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,776,780,2752,27053,27901,27902,56713,56763</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/39699010$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Wang, Yueting</creatorcontrib><creatorcontrib>Zhao, Chunjiang</creatorcontrib><creatorcontrib>Xing, Zhen</creatorcontrib><creatorcontrib>Zhu, Mingyan</creatorcontrib><creatorcontrib>Hao, Lianglin</creatorcontrib><creatorcontrib>Wang, Ke</creatorcontrib><creatorcontrib>Bai, Juekun</creatorcontrib><creatorcontrib>Tian, Hongwu</creatorcontrib><creatorcontrib>Dong, Daming</creatorcontrib><title>Pair-Soil-Spectra: An Approach for NIRS-Based Soil Total Nitrogen Content Detection with Feature Metrics in Cases of Small Sample Sizes</title><title>Analytical chemistry (Washington)</title><addtitle>Anal. Chem</addtitle><description>Soil total nitrogen (STN) plays an important role in plant growth, and rapid and nondestructive detection of STN content is essential for agricultural production. Near-infrared spectroscopy (NIRS) takes advantage of the fast detection speed, low cost, and nondestructiveness, and it can be used for STN content detection. Typically, NIRS-based approaches require a large number of samples for detection model training. However, it is difficult to collect sufficient samples due to various causes (e.g., time-varying state, high assay costs, etc.) in practical application. To tackle this problem, a feature metric approach is introduced to detect the STN content based on NIRS in this work, and a new approach (named Pair-Soil-Spectra) is proposed to mine fine-grained features by contrasting different soil sample pairs, which takes full advantage of soil particle heterogeneity and NIRS penetration. For the validation of this study, three different soil datasets with various collection sources are selected as research subjects, and the performance of Pair-Soil-Spectra is analyzed from different perspectives. According to the results, Pair-Soil-Spectra has significantly improved the performance of STN content detection models (e.g., partial least-squares (PLS), Cubist, extreme learning machine (ELM), and random forest (RF)) in small sample cases. Of these, the coefficient of determination of RF has improved by 0.13, 0.42, and 0.10, and the root-mean-square of prediction has decreased by 0.15, 0.52, and 0.01 g/kg with different datasets, which has gained the greatest improvement. Meanwhile, this approach can be easily expanded to cover other domains.</description><subject>Agricultural production</subject><subject>Datasets</subject><subject>Heterogeneity</subject><subject>Infrared spectra</subject><subject>Infrared spectroscopy</subject><subject>Machine learning</subject><subject>Near infrared radiation</subject><subject>Nitrogen</subject><subject>Plant growth</subject><subject>Soil analysis</subject><subject>Soil improvement</subject><subject>Soils</subject><subject>Spectrum analysis</subject><issn>0003-2700</issn><issn>1520-6882</issn><issn>1520-6882</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2025</creationdate><recordtype>article</recordtype><recordid>eNp9kcFu1DAQhi0EokvhDRCyxIVLlrFjJw63ZaFQqRREyjnyOmPWVRIH2xGCF-C18Wq3PXDgNJfv_0YzPyHPGawZcPZam7jWkx7MHse1MCCkUA_IikkORaUUf0hWAFAWvAY4I09ivAVgDFj1mJyVTdU0wGBF_nzRLhStd0PRzmhS0G_oZqKbeQ5emz21PtDry69t8VZH7OkBpDc-6YFeuxT8d5zo1k8Jp0TfYcoC5yf606U9vUCdloD0E6bgTKQuk9kRqbe0HfUw0FaP84C0db8xPiWPrB4iPjvNc_Lt4v3N9mNx9fnD5XZzVWguZSqMrRST2koFoMq-5kawukGskFeVKWve9L3aSaVYg3pnFUpVayb6WgjLQdnynLw6evN9PxaMqRtdNDgMekK_xK5komal4KXM6Mt_0Fu_hPzxA1Xl78mq5JkSR8oEH2NA283BjTr86hh0h6K6XFR3V1R3KirHXpzky27E_j5010wG4Agc4veL_-v8Cw3OoSs</recordid><startdate>20250114</startdate><enddate>20250114</enddate><creator>Wang, Yueting</creator><creator>Zhao, Chunjiang</creator><creator>Xing, Zhen</creator><creator>Zhu, Mingyan</creator><creator>Hao, Lianglin</creator><creator>Wang, Ke</creator><creator>Bai, Juekun</creator><creator>Tian, Hongwu</creator><creator>Dong, Daming</creator><general>American Chemical Society</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7TA</scope><scope>7TB</scope><scope>7TM</scope><scope>7U5</scope><scope>7U7</scope><scope>7U9</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H94</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-5506-8828</orcidid><orcidid>https://orcid.org/0000-0003-1684-3072</orcidid></search><sort><creationdate>20250114</creationdate><title>Pair-Soil-Spectra: An Approach for NIRS-Based Soil Total Nitrogen Content Detection with Feature Metrics in Cases of Small Sample Sizes</title><author>Wang, Yueting ; Zhao, Chunjiang ; Xing, Zhen ; Zhu, Mingyan ; Hao, Lianglin ; Wang, Ke ; Bai, Juekun ; Tian, Hongwu ; Dong, Daming</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a255t-cf6815af580083d72c4179ee6e266c3729dd8b58819eabf8e587a14d744f208f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2025</creationdate><topic>Agricultural production</topic><topic>Datasets</topic><topic>Heterogeneity</topic><topic>Infrared spectra</topic><topic>Infrared spectroscopy</topic><topic>Machine learning</topic><topic>Near infrared radiation</topic><topic>Nitrogen</topic><topic>Plant growth</topic><topic>Soil analysis</topic><topic>Soil improvement</topic><topic>Soils</topic><topic>Spectrum analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Yueting</creatorcontrib><creatorcontrib>Zhao, Chunjiang</creatorcontrib><creatorcontrib>Xing, Zhen</creatorcontrib><creatorcontrib>Zhu, Mingyan</creatorcontrib><creatorcontrib>Hao, Lianglin</creatorcontrib><creatorcontrib>Wang, Ke</creatorcontrib><creatorcontrib>Bai, Juekun</creatorcontrib><creatorcontrib>Tian, Hongwu</creatorcontrib><creatorcontrib>Dong, Daming</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Aluminium Industry Abstracts</collection><collection>Biotechnology Research Abstracts</collection><collection>Ceramic Abstracts</collection><collection>Computer and Information Systems Abstracts</collection><collection>Corrosion Abstracts</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Materials Business File</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Nucleic Acids Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Aerospace Database</collection><collection>Copper Technical Reference Library</collection><collection>AIDS and Cancer Research Abstracts</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Civil Engineering Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>MEDLINE - Academic</collection><jtitle>Analytical chemistry (Washington)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Yueting</au><au>Zhao, Chunjiang</au><au>Xing, Zhen</au><au>Zhu, Mingyan</au><au>Hao, Lianglin</au><au>Wang, Ke</au><au>Bai, Juekun</au><au>Tian, Hongwu</au><au>Dong, Daming</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Pair-Soil-Spectra: An Approach for NIRS-Based Soil Total Nitrogen Content Detection with Feature Metrics in Cases of Small Sample Sizes</atitle><jtitle>Analytical chemistry (Washington)</jtitle><addtitle>Anal. Chem</addtitle><date>2025-01-14</date><risdate>2025</risdate><volume>97</volume><issue>1</issue><spage>454</spage><epage>463</epage><pages>454-463</pages><issn>0003-2700</issn><issn>1520-6882</issn><eissn>1520-6882</eissn><abstract>Soil total nitrogen (STN) plays an important role in plant growth, and rapid and nondestructive detection of STN content is essential for agricultural production. Near-infrared spectroscopy (NIRS) takes advantage of the fast detection speed, low cost, and nondestructiveness, and it can be used for STN content detection. Typically, NIRS-based approaches require a large number of samples for detection model training. However, it is difficult to collect sufficient samples due to various causes (e.g., time-varying state, high assay costs, etc.) in practical application. To tackle this problem, a feature metric approach is introduced to detect the STN content based on NIRS in this work, and a new approach (named Pair-Soil-Spectra) is proposed to mine fine-grained features by contrasting different soil sample pairs, which takes full advantage of soil particle heterogeneity and NIRS penetration. For the validation of this study, three different soil datasets with various collection sources are selected as research subjects, and the performance of Pair-Soil-Spectra is analyzed from different perspectives. According to the results, Pair-Soil-Spectra has significantly improved the performance of STN content detection models (e.g., partial least-squares (PLS), Cubist, extreme learning machine (ELM), and random forest (RF)) in small sample cases. Of these, the coefficient of determination of RF has improved by 0.13, 0.42, and 0.10, and the root-mean-square of prediction has decreased by 0.15, 0.52, and 0.01 g/kg with different datasets, which has gained the greatest improvement. Meanwhile, this approach can be easily expanded to cover other domains.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>39699010</pmid><doi>10.1021/acs.analchem.4c04548</doi><tpages>10</tpages><orcidid>https://orcid.org/0000-0001-5506-8828</orcidid><orcidid>https://orcid.org/0000-0003-1684-3072</orcidid></addata></record> |
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subjects | Agricultural production Datasets Heterogeneity Infrared spectra Infrared spectroscopy Machine learning Near infrared radiation Nitrogen Plant growth Soil analysis Soil improvement Soils Spectrum analysis |
title | Pair-Soil-Spectra: An Approach for NIRS-Based Soil Total Nitrogen Content Detection with Feature Metrics in Cases of Small Sample Sizes |
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