scholarly journals Evaluation of Chlorophyll-a Estimation Approaches Using Iterative Stepwise Elimination Partial Least Squares (ISE-PLS) Regression and Several Traditional Algorithms from Field Hyperspectral Measurements in the Seto Inland Sea, Japan

Sensors ◽  
2018 ◽  
Vol 18 (8) ◽  
pp. 2656 ◽  
Author(s):  
Zuomin Wang ◽  
Yuji Sakuno ◽  
Kazuhiko Koike ◽  
Shizuka Ohara
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Chlorophyll A ◽  
Predictive Ability ◽  
Seto Inland Sea ◽  
Band Model ◽  
Pls Regression ◽  
Chl A ◽  
The Seto Inland Sea ◽  
Two Band Model

Harmful algal blooms (HABs) occur frequently in the Seto Inland Sea, bringing significant economic and environmental losses for the area, which is well known as one of the world’s most productive fisheries. Our objective was to develop a quantitative model using in situ hyperspectral measurements in the Seto Inland Sea to estimate chlorophyll a (Chl-a) concentration, which is a significant parameter for detecting HABs. We obtained spectra and Chl-a data at six stations from 12 ship-based surveys between December 2015 and September 2017. In this study, we used an iterative stepwise elimination partial least squares (ISE-PLS) regression method along with several empirical and semi-analytical methods such as ocean chlorophyll, three-band model, and two-band model algorithms to retrieve Chl-a. Our results showed that ISE-PLS using both the water-leaving reflectance (RL) and the first derivative reflectance (FDR) had a better predictive ability with higher coefficient of determination (R2), lower root mean squared error (RMSE), and higher residual predictive deviation (RPD) values (R2 = 0.77, RMSE = 1.47 and RPD = 2.1 for RL; R2 = 0.78, RMSE = 1.45 and RPD = 2.13 for FDR). However, in this study the ocean chlorophyll (OC) algorithms had poor predictive ability and the three-band and two-band model algorithms did not perform well in areas with lower Chl-a concentrations. These results support ISE-PLS as a potential coastal water quality assessment method using hyperspectral measurements.

scholarly journals Laboratory Visible and Near-Infrared Spectroscopy with Genetic Algorithm-Based Partial Least Squares Regression for Assessing the Soil Phosphorus Content of Upland and Lowland Rice Fields in Madagascar

2019 ◽  
Vol 11 (5) ◽  
pp. 506 ◽  
Author(s):  
Kensuke Kawamura ◽  
Yasuhiro Tsujimoto ◽  
Tomohiro Nishigaki ◽  
Andry Andriamananjara ◽  
Michel Rabenarivo ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Least Squares ◽  
Partial Least Squares ◽  
Near Infrared ◽  
Soil Phosphorus ◽  
Predictive Ability ◽  
Lowland Rice ◽  
Pls Regression ◽  
Proximal Sensing ◽  
Extractable P

As a laboratory proximal sensing technique, the capability of visible and near-infrared (Vis-NIR) diffused reflectance spectroscopy with partial least squares (PLS) regression to determine soil properties has previously been demonstrated. However, the evaluation of the soil phosphorus (P) content—a major nutrient constraint for crop production in the tropics—is still a challenging task. PLS regression with waveband selection can improve the predictive ability of a calibration model, and a genetic algorithm (GA) has been widely applied as a suitable method for selecting wavebands in laboratory calibrations. To develop a laboratory-based proximal sensing method, this study investigated the potential to use GA-PLS regression analyses to estimate oxalate-extractable P in upland and lowland soils from laboratory Vis-NIR reflectance data. In terms of predictive ability, GA-PLS regression was compared with iterative stepwise elimination PLS (ISE-PLS) regression and standard full-spectrum PLS (FS-PLS) regression using soil samples collected in 2015 and 2016 from the surface of upland and lowland rice fields in Madagascar (n = 103). Overall, the GA-PLS model using first derivative reflectance (FDR) had the best predictive accuracy (R2 = 0.796) with a good prediction ability (residual predictive deviation (RPD) = 2.211). Selected wavebands in the GA-PLS model did not perfectly match wavelengths of previously known absorption features of soil nutrients, but in most cases, the selected wavebands were within 20 nm of previously known wavelength regions. Bootstrap procedures (N = 10,000 times) using selected wavebands also confirmed the improvements in accuracy and robustness of the GA-PLS model compared to those of the ISE-PLS and FS-PLS models. These results suggest that soil oxalate-extractable P can be predicted from Vis-NIR spectroscopy and that GA-PLS regression has the advantage of tuning optimum bands for PLS regression, contributing to a better predictive ability.

Determination of Iodine Value of Palm Oils Using Partial Least Squares Regression-Fourier Transform Infrared Data

2014 ◽  
Vol 70 (5) ◽  
Author(s):  
Nor Fazila Rasaruddin ◽  
Mas Ezatul Nadia Mohd Ruah ◽  
Mohamed Noor Hasan ◽  
Mohd Zuli Jaafar
Keyword(s):  
Fourier Transform ◽  
Variable Selection ◽  
Least Squares ◽  
Partial Least Squares ◽  
Correlation Coefficient ◽  
Iodine Value ◽  
Cross Validation ◽  
Pls Regression ◽  
Pure Sample

This paper shows the determination of iodine value (IV) of pure and frying palm oils using Partial Least Squares (PLS) regression with application of variable selection. A total of 28 samples consisting of pure and frying palm oils which acquired from markets. Seven of them were considered as high-priced palm oils while the remaining was low-priced. PLS regression models were developed for the determination of IV using Fourier Transform Infrared (FTIR) spectra data in absorbance mode in the range from 650 cm-1 to 4000 cm-1. Savitzky Golay derivative was applied before developing the prediction models. The models were constructed using wavelength selected in the FTIR region by adopting selectivity ratio (SR) plot and correlation coefficient to the IV parameter. Each model was validated through Root Mean Square Error Cross Validation, RMSECV and cross validation correlation coefficient, R2cv. The best model using SR plot was the model with mean centring for pure sample and model with a combination of row scaling and standardization of frying sample. The best model with the application of the correlation coefficient variable selection was the model with a combination of row scaling and standardization of pure sample and model with mean centering data pre-processing for frying sample. It is not necessary to row scaled the variables to develop the model since the effect of row scaling on model quality is insignificant.

scholarly journals Development of Infrared Prediction Models for Diffusible and Micellar Minerals in Bovine Milk

Animals ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 430 ◽  
Author(s):  
Marco Franzoi ◽  
Giovanni Niero ◽  
Mauro Penasa ◽  
Massimo De Marchi
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Inductively Coupled Plasma ◽  
Prediction Models ◽  
Formation Rate ◽  
Bovine Milk ◽  
Predictive Ability ◽  
Optical Emission ◽  
Emission Spectrometry ◽  
Mid Infrared

Milk and dairy products are major sources of minerals in human diet. Minerals influence milk technological properties; in particular, micellar and diffusible minerals differentially influence rennet clotting time, curd firmness and curd formation rate. The aim of the present study was to investigate the ability of mid-infrared spectroscopy to predict the content of micellar and diffusible mineral fractions in bovine milk. Spectra of reference milk samples (n = 93) were collected using Milkoscan™ 7 (Foss Electric A/S, Hillerød, Denmark) and total, diffusible and micellar content of minerals were quantified using inductively coupled plasma optical emission spectrometry. Backward interval partial least squares algorithm was applied to exclude uninformative spectral regions and build prediction models for total, diffusible and micellar minerals content. Results showed that backward interval partial least squares analysis improved the predictive ability of the models for the studied traits compared with traditional partial least squares approach. Overall, the predictive ability of mid-infrared prediction models was moderate to low, with a ratio of performance to deviation in cross-validation that ranged from 1.15 for micellar K to 2.73 for total P.

Artificial Neural Networks (ANNs) and Partial Least Squares (PLS) Regression in the Quantitative Analysis of Respirable Crystalline Silica by Fourier-Transform Infrared Spectroscopy (FTIR)

2020 ◽  
Author(s):  
Mina Salehi ◽  
Asma Zare ◽  
Ali Taheri
Keyword(s):  
Neural Networks ◽  
Fourier Transform ◽  
Artificial Neural Networks ◽  
Quantitative Analysis ◽  
Least Squares ◽  
Infrared Spectra ◽  
Predictive Ability ◽  
Crystalline Silica ◽  
Pls Regression ◽  
Ann Model

Abstract Respirable crystalline silica (RCS) overexposure can lead to the development of silicosis which is a chronic, irreversible, potentially fatal respiratory disease. The most significant prerequisite for any silica exposure control plan is an accurate occupational exposure assessment. The results of crystalline silica analysis are often affected by other mineral interferences and are influenced by an analyst’s knowledge of mineralogy to accurately interpret infrared spectra and correct matrix interferences. Partial least squares (PLS) and artificial neural networks (ANNs) are two multivariate calibration methods to overcome the problem of spectral interferences without the need for an analyst intervention. The performance of these two methods in quantitative analysis of quartz in the presence of mineral interferences was evaluated and compared in this study. Fifty mixtures with different crystalline silica content ratios were prepared by mixing quartz with four common mineral interferences including kaolinite, albite, muscovite, and amorphous silica. Fourier-transform infrared spectra of the mixtures were split into training and test datasets. The optimal architecture of the ANN model was achieved using a two-level full factorial design experiment and data were modeled using ANN and PLS regression analysis. Root mean squared error of prediction values of 1.69 and 6.12 µg quartz for ANN and PLS models, respectively, revealed the fact that the both models performed very well in quantitative analysis of quartz in the presence of mineral interferences, with a better relative performance of the ANN model which can be related to the inherent nonlinear predictive ability of ANNs. Given the excellent predictive ability of the ANN model which can deal with a completely overlapped peak without any need of user’s intervention, it is recommended that the ANN model be optimized in future studies and utilized for reliable and rapid on-field assessment of RCS exposure.

Parametric Identification of Abkowitz Model for Ship Maneuvering Motion by Using Partial Least Squares Regression

2015 ◽  
Vol 137 (3) ◽  
Author(s):  
Yin Jian-Chuan ◽  
Zou Zao-Jian ◽  
Xu Feng
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Parametric Identification ◽  
Small Sample ◽  
High Dimensionality ◽  
Pls Regression ◽  
Ship Maneuvering ◽  
Processing Data ◽  
Hydrodynamic Derivatives ◽  
Maneuvering Motion

Partial least squares (PLS) regression is used for identifying the hydrodynamic derivatives in the Abkowitz model for ship maneuvering motion. To identify the dynamic characteristics in ship maneuvering motion, the derivatives of hydrodynamic model's outputs are set as the target output of the PLS identification model. To verify the effectiveness of PLS parametric identification method in processing data with high dimensionality and heavy multicollinearity, the identified results of the hydrodynamic derivatives from the simulated 20 deg/20 deg zigzag test are compared with the planar motion mechanism (PMM) test results. The performance of PLS regression is also compared with that of the conventional least squares (LS) regression using the same dataset. Simulation results show the satisfactory identification and generalization performances of PLS regression and its superiority in comparison with the LS method, which demonstrates its capability in processing measurement data with high dimensionality and heavy multicollinearity, especially in processing data with small sample size.

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