Three-step hybrid strategy towards efficiently selecting variables in multivariate calibration of near-infrared spectra

Yu, Hai‐Dong; Yun, Yong‐Huan; Zhang, Weimin; Chen, Haiming; Liu, Dongli; Zhong, Qiuping; Chen, Wenxue

doi:10.1016/j.saa.2019.117376

Cited by 38 publications

(14 citation statements)

References 48 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Variable combination population analysis (VCPA) is a recent wavelength‐choosing algorithm, developed by a Chinese research team 24 . The basic theory of the method is that optimized spectral characteristic wavelengths are selected by running exponentially decreasing function (EDF) 25 and binary matrix sampling (BMS) 26 in multiple iterations. The best variable subset is acquired in terms of the minimum RMSECV value 20 .…”

Section: Methodsmentioning

confidence: 99%

Evaluation of Dianhong black tea quality using near‐infrared hyperspectral imaging technology

et al. 2020

View full text Add to dashboard Cite

BACKGROUND Tea (Camellia sinensis L) is a highly nutritious beverage with commercial value globally. However, it is at risk of economic fraud. This study aims to develop a powerful evaluation method to distinguish Chinese official Dianhong tea from various other categories, employing hyperspectral imaging (HSI) technology and chemometric algorithms. RESULTS Two matrix statistical algorithms encompassing a gray‐level co‐occurrence matrix (GLCM) and a gradient co‐occurrence matrix (GLGCM) are used to extract HSI texture data. Three novel spectral variable screening methods are utilized to select wavenumbers of near‐infrared (NIR) spectra: iteratively retaining informative variables (IRIV), interval random frog, and variable combination population analysis. Feature fusion of image texture characteristics and spectra data are the eigenvectors for model building. Authentic classification models are constructed using the extreme learning machine approach and the least squares support vector machine (LSSVM) approach, coupling them with features from wavelength extraction techniques for assessing the quality of Dianhong black tea. The results demonstrate that the LSSVM model using fused data (IRIV + GLGCM) provides the best results and achieves a predictive precision of 99.57%. CONCLUSION This study confirms that HSI coupled with LSSVM is effective in differentiating authentic Dianhong black tea samples. © 2020 Society of Chemical Industry

show abstract

Section: Methodsmentioning

confidence: 99%

Evaluation of Dianhong black tea quality using near‐infrared hyperspectral imaging technology

et al. 2020

View full text Add to dashboard Cite

show abstract

“…Uninformative and noise affected variables have been excluded using interval-PLS (i-PLS) [ 107 , 108 ]. As i-PLS continuously selects the variables, it should not be applied when the original data are not continuous (i.e., MS spectra) [ 78 ].…”

Section: Data Fusionmentioning

confidence: 99%

“…The VIP-based variable ranking has shown efficacy in filtering unimportant variables and reducing variable space [ 84 , 108 , 109 ]. Generally, a VIP > 1 is considered relevant, although this limit has no statistical meaning [ 84 , 99 , 110 ].…”

Section: Data Fusionmentioning

confidence: 99%

“…The use of genetic algorithm (GA), iteratively retained informative variables (IRIV), competitive adaptive reweighted sampling (CARS), successive projections algorithm (SPA), recursive feature extraction (RFE), univariate filter (UF), and ordered predictors selection (OPS) has also been reported [ 78 , 86 , 94 , 108 , 110 , 112 , 113 ]. GAs have been used in spectroscopic applications for optimal wavelength selection, multicollinearity, and noise reduction [ 108 ]. The algorithm selects an initial set of spectral variables, which is further optimized by testing multiple combinations of different features.…”

Section: Data Fusionmentioning

confidence: 99%

See 1 more Smart Citation

Challenges and Opportunities of Implementing Data Fusion in Process Analytical Technology—A Review

et al. 2022

View full text Add to dashboard Cite

The release of the FDA’s guidance on Process Analytical Technology has motivated and supported the pharmaceutical industry to deliver consistent quality medicine by acquiring a deeper understanding of the product performance and process interplay. The technical opportunities to reach this high-level control have considerably evolved since 2004 due to the development of advanced analytical sensors and chemometric tools. However, their transfer to the highly regulated pharmaceutical sector has been limited. To this respect, data fusion strategies have been extensively applied in different sectors, such as food or chemical, to provide a more robust performance of the analytical platforms. This survey evaluates the challenges and opportunities of implementing data fusion within the PAT concept by identifying transfer opportunities from other sectors. Special attention is given to the data types available from pharmaceutical manufacturing and their compatibility with data fusion strategies. Furthermore, the integration into Pharma 4.0 is discussed.

show abstract

“…Other wavelength selection methods include load space distance of principal component analysis, 45 as used by MaxLIBS soware (version 1.67, Ocean Optics). Yu et al 46 proved the importance and necessity of variable selection in complex analysis systems. Variable selection improves the predictive ability, reduces the dimensionality of the data allowing the selection of more effective variables, and increases the interpretability of the model.…”

Section: Variable Selectionmentioning

confidence: 99%

A hybrid wavelength selection strategy-based quantitative analysis model for LIBS data from standard ground samples of the Curiosity rover on Mars

Yao

Jian-ping

2022

J. Anal. At. Spectrom.

View full text Add to dashboard Cite

show abstract

Three-step hybrid strategy towards efficiently selecting variables in multivariate calibration of near-infrared spectra

Cited by 38 publications

References 48 publications

Evaluation of Dianhong black tea quality using near‐infrared hyperspectral imaging technology

Evaluation of Dianhong black tea quality using near‐infrared hyperspectral imaging technology

Challenges and Opportunities of Implementing Data Fusion in Process Analytical Technology—A Review

A hybrid wavelength selection strategy-based quantitative analysis model for LIBS data from standard ground samples of the Curiosity rover on Mars

Contact Info

Product

Resources

About