Готові списки джерел за темами / Moving Window PLS (mwPLS)

Добірка наукової літератури з теми "Moving Window PLS (mwPLS)"

Автор: Grafiati

Опубліковано: 10 грудня 2022

Оновлено: 28 січня 2023

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Статті в журналах з теми "Moving Window PLS (mwPLS)"

Pan, Tao, Wei Wei Chen, Zeng Hai Chen, and Jun Xie. "Waveband Selection for NIR Spectroscopy Analysis of Wastewater COD." Key Engineering Materials 480-481 (June 2011): 393–96. http://dx.doi.org/10.4028/www.scientific.net/kem.480-481.393.

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Waveband selection of near-infrared (NIR) spectroscopy analysis of wastewater chemical oxygen demand (COD) by moving window partial least squares (MWPLS) method with changeable size, the optimization of PLS factor was combined with MWPLS method. According to the prediction effect, the optimal model was selected, and the corresponding waveband, number of adopted wavelengths, PLS factor, RMSEP, RP were 820-850nm, 16, 13, 25.5 mg/L, and 0.968 respectively, which was obviously superior to the optimal PLS model on the whole spectral collecting region. The result shows that the MWPLS method can improve the model prediction effect, reduce model complexity, and provide valuable reference for designing special NIR spectrometer.

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Jiao, Long, Shan Bing, Xiaofeng Zhang, and Hua Li. "Interval partial least squares and moving window partial least squares in determining the enantiomeric composition of tryptophan by using UV-Vis spectroscopy." Journal of the Serbian Chemical Society 81, no. 2 (2016): 209–18. http://dx.doi.org/10.2298/jsc150227065j.

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Анотація:

The application of interval partial least squares (IPLS) and moving window partial least squares (MWPLS) to the enantiomeric analysis of tryptophan (Trp) was investigated. A UV-Vis spectroscopy method for determining the enantiomeric composition of Trp was developed. The calibration model was built by using partial least squares (PLS), IPLS and MWPLS respectively. Leave-one-out cross validation and external test validation were used to assess the prediction performance of the established models. The validation result demonstrates the established full-spectrum PLS model is impractical for quantifying the relationship between the spectral data and enantiomeric composition of L-Trp. On the contrary, the developed IPLS and MWPLS model are both practicable for modeling this relationship. For the IPLS model, the root mean square relative error (RMSRE) of external test validation and leave-one-out cross validation is 4.03 and 6.50 respectively. For the MWPLS model, the RMSRE of external test validation and leave-one-out cross validation is 2.93 and 4.73 respectively. Obviously, the prediction accuracy of the MWPLS model is higher than that of the IPLS model. It is demonstrated UV-Vis spectroscopy combined with MWPLS is a commendable method for determining the enantiomeric composition of Trp. MWPLS is superior to IPLS for selecting spectral region in UV-Vis spectroscopy analysis.

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Chen, Tao, Zhi Li, Fang Rong Hu, and Wei Mo. "Quantitative Analysis of Mixtures Using Terahertz Time-Domain Spectroscopy and Different PLS Algorithms." Advanced Materials Research 804 (September 2013): 23–28. http://dx.doi.org/10.4028/www.scientific.net/amr.804.23.

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This paper attempted the feasibility to determine component concentrations in multicomponent mixtures with terahertz time-domain spectroscopy (THz-TDS) combined with different partial least-squares regression (PLS) algorithms. First, THz absorbance spectra for 75 ternary mixtures of anhydrous theophylline, lactose monohydrate and magnesium stearate were investigated using THz-TDS in the frequency range from 0.1 to 3.0 THz, then four different PLS methods, including interval PLS (iPLS), backward interval PLS (biPLS), synergy interval PLS (siPLS) and moving window PLS (mwPLS), were employed to perform quantitative analysis of anhydrous theophylline concentrations in ternary mixtures. The performance of mwPLS model is the best in contrast to other PLS models and full spectrum PLS. The optimal model was achieved with higher correlation coefficient for calibration (RC) of 0.9842, higher correlation coefficient for prediction (RP) of 0.9851, lower root mean square error of cross-validation (RMSECV) of 3.8241, and lower root mean square error of prediction (RMSEP) of 4.1540. Experimental results demonstrate that THz spectroscopy combined with PLS algorithms could be successfully applied as an effective nondestructive tool for the quantitative analysis of component concentrations in multicomponent mixtures, and mwPLS is an ideal method for reducing the complexity and improving the performance of the model.

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Yao, Li Jun, Jie Mei Chen, and Tao Pan. "Waveband Selection for NIR Spectroscopic Analysis of Zn²⁺ in Soil." Applied Mechanics and Materials 365-366 (August 2013): 737–40. http://dx.doi.org/10.4028/www.scientific.net/amm.365-366.737.

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Анотація:

Near-infrared (NIR) spectroscopy combined with moving window partial least squares (MWPLS) method was successfully applied to the waveband selection for the rapid chemical-free determination of Zn2+ in soil. Based on randomness and similarity, an effective approach was performed to obtain objective and practical models. The optimal MWPLS waveband was 1136-1252 nm, and the corresponding optimal number of PLS factors was 6. The validation root mean square error (V-SEP) and validation correlation coefficients (V-RP) of prediction were 15.658 mg kg-1 and 0.925, respectively. The Zn2+ prediction values of the validation samples are close to the measured values. The results provided a reliable NIR model and can serve as valuable references for designing the dedicated spectroscopic instruments.

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Pan, Tao, Qiang Ji, Jie Mei Chen, and Hua Zhou Chen. "FTIR/ATR Spectroscopy Applied to the Rapid Determination of Chemical Oxygen Demand of Wastewater." Key Engineering Materials 500 (January 2012): 820–25. http://dx.doi.org/10.4028/www.scientific.net/kem.500.820.

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Анотація:

A directly rapid quantification method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy combined with attenuated total reflection (ATR) technology and moving window partial least squares (MWPLS) method with changeable parameters. All samples were firstly divided into the calibration set and the prediction set. And then according to the predicion effect, the optimal model was selected, and the corresponding waveband, number of adopted wavenumbers, PLS factor, root mean squared error of predication (RMSEP), correlation coefficient of predication (RP) were 3152-1109 cm-1, 1060, 8, 21.5 mg/L, and 0.981 respectively, which was obviously superior to the optimal PLS model on the whole spectral collecting region. The result shows that FTIR/ATR spectroscopy can be applied to the rapid determination of COD of wastewater, and the waveband selected by MWPLS method with changeable parameters has higher signal to noise ratio, which can effectively improve the precision of the predictive model.

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Xie, Jun, and Tao Pan. "Waveband Selection for FTIR/ATR Spectroscopy Analysis of Total Cholesterol in Human Serum." Advanced Materials Research 566 (September 2012): 712–15. http://dx.doi.org/10.4028/www.scientific.net/amr.566.712.

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Анотація:

Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology were successfully applied for the analysis of total cholesterol (TC) in human serum. An appropriate waveband with stability was selected by the moving window partial least-squares (MWPLS) regression through a rigorous modeling process. The selected waveband was 3065 cm-1 to 945 cm-1, the corresponding PLS factor was 15. The modeling effect M-SEPAve, M-SEPStd, M-RP,Ave, and M-RP,Std were 0.408 mmol/L, 0.068 mmol/L, 0.949, and 0.022, respectively. V-SEP and V-RP, were 0.419 mmol /L and 0.932, respectively. It indicated that the method has good prediction effect and stability, and provided valuable references for designing specialized spectroscopic instruments.

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Pan, Tao, and Peng Zhao Li. "Waveband Selection with Stability for FTIR/ATR Spectroscopic Analysis of COD in Sugar Refinery Wastewater." Advanced Materials Research 562-564 (August 2012): 220–23. http://dx.doi.org/10.4028/www.scientific.net/amr.562-564.220.

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Анотація:

Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR) technology were successfully applied for the rapid no-reagent determination of chemical oxygen demand (COD) in sugar refinery wastewater. An appropriate waveband with stability was selected by the moving window partial least-squares (MWPLS) regression through a rigorous modeling process. The selected waveband was 3198 cm-1 to 2376 cm-1, the corresponding PLS factor was 5. The modeling effect M-SEPAve, M-RP,Ave, M-SEPStd, and M-RP,Std were 31.5 mg/L, 0.962, 3.9 mg/L, and 0.012, respectively. The validation effect V-SEP and V-RP were 31.9 mg/L and 0.965, respectively. It indicated that the method has good prediction effect and stability, and provided valuable references for designing specialized spectroscopic instruments.

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Pan, Tao, Zhen Tao Wu, and Jie Mei Chen. "Near-Infrared Spectroscopic Measurement of Organic Matter in Soil." Advanced Materials Research 499 (April 2012): 414–18. http://dx.doi.org/10.4028/www.scientific.net/amr.499.414.

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Анотація:

Near-infrared (NIR) spectroscopy was successfully applied to chemical free and rapid determination of the organic matter in soil, and moving window partial least square (MWPLS) combining with Savitzky-Golay (SG) smoothing was used to the selection of NIR waveband. Thirty-five samples were randomly selected from all 97 collected soil samples as the validation set. The remaining 62 samples were divided into similar modeling calibration set (37 samples) and modeling prediction set (25 samples) based on partial least square cross-validation predictive bias (PLSPB). The selected waveband was 1896 nm to 2138 nm; the SG smoothing parameters and PLS factor OD, DP, NSP and F were 2, 6, 71 and 15, respectively; the modeling effect M-SEP and M-RPwere 0.219% and 0.944, respectively; the validating effect V-SEP and V-RPwere 0.243% and 0.878, respectively. The result provided a reliable NIR model and valuable references for designing specialized NIR instruments.

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Liu, Manhua, Yangyang Wang, Yueping Jiang, Haitao Liu, Jingjing Chen, and Shao Liu. "Quantitation of Oxcarbazepine Clinically in Plasma Using Surfaced-Enhanced Raman Spectroscopy (SERS) Coupled with Chemometrics." Applied Spectroscopy 73, no. 7 (May 21, 2019): 801–9. http://dx.doi.org/10.1177/0003702819845389.

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Анотація:

Nondestructive, sensitive, near-real-time quantitative analysis approaches are gaining popularity and attention, especially in clinical diagnosis and detection. There is a need to propose an alternative scheme using surface-enhanced Raman spectroscopy (SERS) assisted by chemometrics to improve some defects existing using other analytical instruments to meet clinical demands. In this study, clinical drug oxcarbazepine (OXC) in human blood plasma has been quantified and detected using this method. Partial least squares regression (PLSR) modeling was employed to assess the relationship between full SERS spectral data and OXC concentration. The calibration set's correlation coefficient of the model is > 0.9, the result suggests that this method is favorable and feasible. Furthermore, other multivariate calibration algorithms like Monte Carlo cross-validation (MCCV) sample set partitioning based on joint XY distances (SPXY), adaptive iteratively reweighted penalized least squares (AIR–PLS), moving window partial least squares regression (MWPLS), and leave-one-out cross-validation were used to handle these spectral data to obtain an accurate predictive model. The results achieved in this study provide a possibility and availability for us to apply SERS in combination with chemometrics to diagnosis detection.

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Fu, Hai-Yan, Shuang-Yan Huan, Lu Xu, Li-Juan Tang, Jian-Hui Jiang, Hai-Long Wu, Guo-Li Shen, and Ru-Qin Yu. "Moving Window Partial Least-Squares Discriminant Analysis for Identification of Different Kinds of Bezoar Samples by near Infrared Spectroscopy and Comparison of Different Pattern Recognition Methods." Journal of Near Infrared Spectroscopy 15, no. 5 (October 2007): 291–97. http://dx.doi.org/10.1255/jnirs.743.

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Анотація:

Moving window partial least-squares (MWPLS) regression was coupled with near infrared (NIR) spectra as an interval selection method to improve the performance of partial least squares discriminant analysis (PLSDA) models. This method was applied to the identification of artificial bezoar, natural bezoar and artificial bezoar in natural bezoar and compared with some traditional pattern recognition methods, such as principal component analysis (PCA), linear discriminant analysis (LDA) and PLSDA. The introduction of MWPLS enhanced the performance of PLSDA model. The results obtained showed that moving window partial least-squares discriminant analysis (MWPLSDA) can extract wavelength intervals with useful information and build simple yet effective classification models that can significantly improve the classification accuracy. Then MWPLSDA was used to identify natural bezoar by geographical origin; a promising result was achieved. The work showed that MWPLSDA could be a promising method for quality analysis and discrimination of chinese medical herbs according to geographical origin.

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Тези доповідей конференцій з теми "Moving Window PLS (mwPLS)"

Chen Xianghua, Xu Ouguan, and Zou Hongbo. "Recursive PLS soft sensor with moving window for online PX concentration estimation in an industrial isomerization unit." In 2009 Chinese Control and Decision Conference (CCDC). IEEE, 2009. http://dx.doi.org/10.1109/ccdc.2009.5195246.

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