分析化学2024，Vol.52Issue(7)：1028-1038,11.DOI:10.19756/j.issn.0253-3820.231441
基于近红外光谱与高斯过程的高粱单宁含量快速检测
Rapid Detection of Sorghum Tannin Content Based on Near-Infrared Spectroscopy and Gaussian Process
摘要
Abstract
The tannin content of sorghum seeds had a significant impact on the wine's quality during the brewing process.Additionally,when used as a feed ingredient,the tannin content had a major impact on feed consumption.Thus the tannin content of sorghum has a substantial impact on its quality and application.To quickly and nondestructively determine the tannin content of sorghum,near-infrared spectroscopy was combined with chemometrics in this study,which eliminated the need for time-consuming and costly conventional approaches.Following the spectra's preprocessing,anomalous samples were removed by using a combination of Gaussian process regression(GPR)and Monte Carlo cross-validation(MCCV).The sample set was then randomly divided into a modeling set and a prediction set,with feature wavelength selection carried out using the elimination of uninformative variables(UVE)method.Subsequently,a GPR model was developed,and its performance was compared with partial least squares regression(PLSR)and support vector machine regression(SVR)models.The results indicated that the GPR model outperformed the PLSR and SVR models in all aspects.The optimized GPR model,generated following pre-processing process such as Detrending and Savitzky-Golay smoothing,elimination of anomalous samples,and selection of feature wavelengths,demonstrated superior performance,with model set determination coefficient(Rc2),prediction set determination coefficient(RP2),and relative percent deviation(RPD)values of 0.9979,0.9529,and 4.8453,respectively.These findings validated the effectiveness of the GPR regression model,which integrated near-infrared spectroscopy with chemometrics,for the rapid and non-destructive detection of sorghum tannins.关键词
近红外光谱/化学计量学/高粱单宁/高斯过程法/快速无损检测Key words
Near-infrared spectroscopy/Chemometrics/Sorghum tannin/Gaussian process/Rapid non-destructive testing引用本文复制引用
赵瑾熠,陈争光,衣淑娟..基于近红外光谱与高斯过程的高粱单宁含量快速检测[J].分析化学,2024,52(7):1028-1038,11.基金项目
国家自然科学基金项目(No.52275246)和黑龙江八一农垦大学"三纵"支持项目(No.ZRCPY202214)资助. Supported the by National Natural Science Foundation of China(No.52275246)and the Basic Research in ″Sanzong″Program of Heilongjiang Bayi Agricultural University(No.ZRCPY202214). （No.52275246）
