scholarly journals Wavelength Selection Method Based on Partial Least Square from Hyperspectral Unmanned Aerial Vehicle Orthomosaic of Irrigated Olive Orchards

2020 ◽  
Vol 12 (20) ◽  
pp. 3426 ◽  
Author(s):  
Antonio Santos-Rufo ◽  
Francisco-Javier Mesas-Carrascosa ◽  
Alfonso García-Ferrer ◽  
Jose Emilio Meroño-Larriva
Keyword(s):  
Genetic Algorithm ◽  
Water Resource Management ◽  
Partial Least Square ◽  
Least Square ◽  
Identification Accuracy ◽  
High Spectral Resolution ◽  
Selection Methods ◽  
Wavelength Selection ◽  
Linear Discriminant ◽  
Variable Elimination

Identifying and mapping irrigated areas is essential for a variety of applications such as agricultural planning and water resource management. Irrigated plots are mainly identified using supervised classification of multispectral images from satellite or manned aerial platforms. Recently, hyperspectral sensors on-board Unmanned Aerial Vehicles (UAV) have proven to be useful analytical tools in agriculture due to their high spectral resolution. However, few efforts have been made to identify which wavelengths could be applied to provide relevant information in specific scenarios. In this study, hyperspectral reflectance data from UAV were used to compare the performance of several wavelength selection methods based on Partial Least Square (PLS) regression with the purpose of discriminating two systems of irrigation commonly used in olive orchards. The tested PLS methods include filter methods (Loading Weights, Regression Coefficient and Variable Importance in Projection); Wrapper methods (Genetic Algorithm-PLS, Uninformative Variable Elimination-PLS, Backward Variable Elimination-PLS, Sub-window Permutation Analysis-PLS, Iterative Predictive Weighting-PLS, Regularized Elimination Procedure-PLS, Backward Interval-PLS, Forward Interval-PLS and Competitive Adaptive Reweighted Sampling-PLS); and an Embedded method (Sparse-PLS). In addition, two non-PLS based methods, Lasso and Boruta, were also used. Linear Discriminant Analysis and nonlinear K-Nearest Neighbors techniques were established for identification and assessment. The results indicate that wavelength selection methods, commonly used in other disciplines, provide utility in remote sensing for agronomical purposes, the identification of irrigation techniques being one such example. In addition to the aforementioned, these PLS and non-PLS based methods can play an important role in multivariate analysis, which can be used for subsequent model analysis. Of all the methods evaluated, Genetic Algorithm-PLS and Boruta eliminated nearly 90% of the original spectral wavelengths acquired from a hyperspectral sensor onboard a UAV while increasing the identification accuracy of the classification.

scholarly journals A fast and low-cost approach to quality control of alcohol-based hand sanitizer using portable near infrared spectrometer and chemometrics

2021 ◽  
pp. 096703352098731
Author(s):  
Adenilton C da Silva ◽  
Lívia PD Ribeiro ◽  
Ruth MB Vidal ◽  
Wladiana O Matos ◽  
Gisele S Lopes
Keyword(s):  
Quality Control ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Chemical Components ◽  
Linear Discriminant ◽  
Hand Sanitizer

The use of alcohol-based hand sanitizers is recommended as one of several strategies to minimize contamination and spread of the COVID-19 disease. Current reports suggest that the virucidal potential of ethanol occurs at concentrations close to 70%. Traditional methods of verifying the ethanol concentration in such products invite potential errors due to the viscosity of chemical components or may be prohibitively expensive to undertake in large demand. Near infrared (NIR) spectroscopy and chemometrics have already been used for the determination of ethanol in other matrices and present an alternative fast and reliable approach to quality control of alcohol-based hand sanitizers. In this study, a portable NIR spectrometer combined with classification chemometric tools, i.e., partial least square discriminant analysis (PLS–DA) and linear discriminant analysis with successive algorithm projection (SPA–LDA) were used to construct models to identify conforming and non-conforming commercial and laboratory synthesized hand sanitizer samples. Principal component analysis (PCA) was applied in an exploratory data study. Three principal components accounted for 99% of data variance and demonstrate clustering of conforming and non-conforming samples. The PLS–DA and SPA–LDA classification models presented 77 and 100% of accuracy in cross/internal validation respectively and 100% of accuracy in the classification of test samples. A total of 43% commercial samples evaluated using the PLS–DA and SPA–LDA presented ethanol content non-conforming for hand sanitizer gel. These results indicate that use of NIR spectroscopy and chemometrics is a promising strategy, yielding a method that is fast, portable, and reliable for discrimination of alcohol-based hand sanitizers with respect to conforming and non-conforming ethanol concentrations.

Near-Infrared Spectroscopy for Discrimination of Charcoal from Eucalyptus and Native Cerrado Species—Contribution to a Database for Forestry Supervision

2021 ◽  
Author(s):  
Silvana Nisgoski ◽  
Thaís A P Gonçalves ◽  
Júlia Sonsin-Oliveira ◽  
Adriano W Ballarin ◽  
Graciela I B Muñiz
Keyword(s):  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
New Technologies ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Eucalyptus Species ◽  
Linear Discriminant

Abstract The illegal charcoal trade is an internationally well-known forest crime. In Brazil, government agents try to control it using the document of forest origin (DOF). To confirm a load’s legality, the agents must compare it with the declared content of the DOF. However, to identify charcoal is difficult even for specialists in wood anatomy. Hence, new technologies would facilitate the agents’ work. Near-infrared spectroscopy (NIR) provides a rapid and precise response to differentiate carbonized species. Considering the rich Brazilian flora, NIR studies are still underdeveloped. Our work aimed to differentiate charcoals of seven eucalypts and 10 Cerrado species based on NIR analysis and to add information to a charcoal database. Data were collected with a spectrophotometer in reflectance mode. Partial least square regression with discriminant analysis (PLS-DA) and a linear discriminant analysis (LDA) was applied to confirm the performance and potential of NIR spectra to distinguish native Cerrado species from eucalyptus species. Wavenumbers from 4,000 to 6,000 cm−1 and transversal surface presented the best results. NIR had the potential to distinguish eucalypt charcoals from Cerrado species and in comparison to reference samples. NIR is a potential tool for forestry supervision to guarantee the sustainability of the charcoal supply in Brazil and countries with similar conditions. Study Implications It is a challenge to protect the Cerrado biome against deforestation for charcoal production. The application of new technologies such as near-infrared spectroscopy (NIR) for charcoal identification might improve the work of government agents. In this article, we studied the spectra of Cerrado and eucalypt species. Our results present good separation between the analyzed groups. The main goal is to develop a reliable NIR database that would be useful in the practical work of agents. The database will be available for all control agencies, and future training will be done for a rapid initial evaluation in the field.

scholarly journals Standard Analytical Methods, Sensory Evaluation, NIRS and Electronic Tongue for Sensing Taste Attributes of Different Melon Varieties

Sensors ◽  
2019 ◽  
Vol 19 (22) ◽  
pp. 5010 ◽  
Author(s):  
Németh ◽  
Balazs ◽  
Daood ◽  
Kovacs ◽  
Bodor ◽  
...  
Keyword(s):  
Electronic Tongue ◽  
Storage Conditions ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Sensory Profile ◽  
Linear Discriminant ◽  
Analytical Instruments ◽  
Varietal Classification ◽  
And Storage

Grafting by vegetables is a practice with many benefits, but also with some unknown influences on the chemical composition of the fruits. Our goal was to assess the effects of grafting and storage on the extracted juice of four orange-fleshed Cantaloupe type (Celestial, Donatello, Centro, Jannet) melons and two green-fleshed Galia types (Aikido, London), using sensory profile analysis and analytical instruments: An electronic tongue (E-tongue) and near-infrared spectroscopy (NIRS). Both instruments are known for rapid qualitative and quantitative food analysis. Linear discriminant analysis (LDA) was used to classify melons according to their varieties and storage conditions. Partial least square regression (PLSR) was used to predict sensory and standard analytical parameters. Celestial variety had the highest intensity for sensory attributes in Cantaloupe variety. Both green and orange-fleshed melons were discriminated and predicted in LDA with high accuracies (100%) using the E-tongue and NIRS. Galia and Cantaloupe inter-varietal classification with the E-tongue was 89.9% and 82.33%, respectively. NIRS inter-varietal classification was 100% with Celestial variety being the most discriminated as with the sensory results. Both instruments, classified different storage conditions of melons (grafted and self-rooted) with high accuracies. PLSR showed high accuracy for some standard analytical parameters, where significant differences were found comparing different varieties in ANOVA.

Multivariate analysis of three chemometric algorithms on rapid prediction of some important quality parameters of crude shea butter using Fourier transform-near infrared spectroscopy

2019 ◽  
Vol 27 (3) ◽  
pp. 220-231
Author(s):  
Emmanuel Amomba Seweh ◽  
Zou Xiaobo ◽  
Feng Tao ◽  
Shi Jiachen ◽  
Haroon Elrasheid Tahir ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Root Mean Square Error ◽  
Mean Square Error ◽  
Root Mean Square ◽  
Cross Validation ◽  
Partial Least Square ◽  
Least Square ◽  
Mean Square ◽  
Saponification Value ◽  
Peroxide Values

A comparative study of three chemometric algorithms combined with NIR spectroscopy with the aim of determining the best performing algorithm for quantitative prediction of iodine value, saponification value, free fatty acids content, and peroxide values of unrefined shea butter. Multivariate calibrations were developed for each parameter using supervised partial least squares, interval partial least squares, and genetic-algorithm partial least square regression methods to establish a linear relationship between standard reference and the Fourier transformed-near infrared predicted. Results showed that genetic-algorithm partial least square models were superior in predicting iodine value and saponification value while partial least squares was excellent in predicting free fatty acids content and peroxide values. The nine-factor genetic-algorithm partial least square iodine value calibration model for predicting iodine value yielded excellent ( R2 cal = 0.97), ( R2 val = 0.97), low (root mean square error of cross-validation = 0.26), low (root mean square error of Prediction = 0.23), and (ratio of performance to deviation = 6.41); for saponification value, the nine-factor genetic-algorithm partial least square saponification value calibration model had excellent R2 cal (0.97), R2 val (0.99); low root mean square error of cross-validation (0.73), low root mean square error of Prediction (0.53), and (ratio of performance to deviation = 8.27); while for free fatty acids, the 11-factor partial least square free fatty acids produced very high R2 cal (0.97) and R2 val (0.97) with very low root mean square error of cross-validation (0.03), low root mean square error of Prediction (0.04) and (ratio of performance to deviation = 5.30) and finally for peroxide values, the 11-factor partial least square peroxide values calibration model obtained excellent R2 cal (0.96) and R2val (0.98) with low root mean square error of cross-validation (0.05), low root mean square error of Prediction (0.04), and (ratio of performance to deviation = 5.86). The built models were accurate and robust and can be reliably applied in developing a handheld quality detection device for screening, quality control checks, and prediction of shea butter quality on-site.

scholarly journals Changes in Amino Acid and Acylcarnitine Plasma Profiles for Distinguishing Patients with Multiple Sclerosis from Healthy Controls

2020 ◽  
Vol 2020 ◽  
pp. 1-10
Author(s):  
Marat F. Kasakin ◽  
Artem D. Rogachev ◽  
Elena V. Predtechenskaya ◽  
Vladimir J. Zaigraev ◽  
Vladimir V. Koval ◽  
...  
Keyword(s):  
Multiple Sclerosis ◽  
Amino Acid ◽  
Discriminant Analysis ◽  
Clinical Decision ◽  
Partial Least Square ◽  
Least Square ◽  
Control Group ◽  
Healthy Controls ◽  
Linear Discriminant ◽  
Tandem Mass Spectrometric

McDonald criteria and magnetic resonance imaging (MRI) are used for the diagnosis of multiple sclerosis (MS); nevertheless, it takes a considerable amount of time to make a clinical decision. Amino acid and fatty acid metabolic pathways are disturbed in MS, and this information could be useful for diagnosis. The aim of our study was to find changes in amino acid and acylcarnitine plasma profiles for distinguishing patients with multiple sclerosis from healthy controls. We have applied a targeted metabolomics approach based on tandem mass-spectrometric analysis of amino acids and acylcarnitines in dried plasma spots followed by multivariate statistical analysis for discovery of differences between MS (n=16) and control (n=12) groups. It was found that partial least square discriminant analysis yielded better group classification as compared to principal component linear discriminant analysis and the random forest algorithm. All the three models detected noticeable changes in the amino acid and acylcarnitine profiles in the MS group relative to the control group. Our results hold promise for further development of the clinical decision support system.

AN IMPROVED QSPR STUDY OF REVERSE FACTOR OF NANOPARTICLES IN ROADSIDE ATMOSPHERE ON KERNEL PARTIAL LEAST SQUARES AND GENETIC ALGORITHM

2013 ◽  
Vol 12 (01) ◽  
pp. 1250106 ◽  
Author(s):  
ALI MEHDIKHANI ◽  
HAMID REZA LOTFIZADEH ◽  
KAMYAR ARMAN ◽  
HADI NOORIZADEH
Keyword(s):  
Genetic Algorithm ◽  
Cross Validation ◽  
Partial Least Square ◽  
Least Square ◽  
Structure Property ◽  
Resolution Time ◽  
Kernel Partial Least Squares ◽  
Flight Mass Spectrometry ◽  
Structure Property Relationship ◽  
Test Sets

Thermal desorption-comprehensive two-dimensional gas chromatography high-resolution time-of-flight mass spectrometry (TD–GC × GC–HRTOF-MS) is one of the most powerful tools in analytical nanoparticle compounds. Genetic algorithm and partial least square (GA-PLS) and kernel PLS (GA-KPLS) models were used to investigate the correlation between reverse factor (RF) and descriptors for 50 nanoparticles fraction with a diameter of 29–58 nm in roadside atmosphere which obtained by TD–GC×GC–HRTOF-MS. The correlation coefficient leave-group-out cross validation (LGO-CV (Q2)) of prediction for the GA-PLS and GA-KPLS models for training and test sets were (0.761 and 0.718) and (0.825 and 0.814), respectively, revealing the reliability of these models. This is the first research on the quantitative structure-property relationship (QSPR) of the nanoparticles in roadside atmosphere using the GA-PLS and GA-KPLS.

scholarly journals Robust Wavelength Selection Using Filter-Wrapper Method and Input Scaling on Near Infrared Spectral Data

Sensors ◽  
2020 ◽  
Vol 20 (17) ◽  
pp. 5001 ◽  
Author(s):  
Divo Dharma Silalahi ◽  
Habshah Midi ◽  
Jayanthi Arasan ◽  
Mohd Shafie Mustafa ◽  
Jean-Pierre Caliman
Keyword(s):  
Monte Carlo ◽  
Spectral Data ◽  
Near Infrared ◽  
Selection Procedure ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Tolerance Interval ◽  
Wavelength Selection ◽  
Wrapper Method

The extraction of relevant wavelengths from a large dataset of Near Infrared Spectroscopy (NIRS) is a significant challenge in vibrational spectroscopy research. Nonetheless, this process allows the improvement in the chemical interpretability by emphasizing the chemical entities related to the chemical parameters of samples. With the complexity in the dataset, it may be possible that irrelevant wavelengths are still included in the multivariate calibration. This yields the computational process to become unnecessary complex and decreases the accuracy and robustness of the model. In multivariate analysis, Partial Least Square Regression (PLSR) is a method commonly used to build a predictive model from NIR spectral data. However, in the PLSR method and common commercial chemometrics software, there is no standard wavelength selection procedure applied to screen the irrelevant wavelengths. In this study, a new robust wavelength selection procedure called the modified VIP-MCUVE (mod-VIP-MCUVE) using Filter-Wrapper method and input scaling strategy is introduced. The proposed method combines the modified Variable Importance in Projection (VIP) and modified Monte Carlo Uninformative Variable Elimination (MCUVE) to calculate the scale matrix of the input variable. The modified VIP uses the orthogonal components of Partial Least Square (PLS) in investigating the informative variable in the model by applying the amount of variation both in X and y{SSX,SSY}, simultaneously. The modified MCUVE uses a robust reliability coefficient and a robust tolerance interval in the selection procedure. To evaluate the superiority of the proposed method, the classical VIP, MCUVE, and autoscaling procedure in classical PLSR were also included in the evaluation. Using artificial data with Monte Carlo simulation and NIR spectral data of oil palm (Elaeis guineensis Jacq.) fruit mesocarp, the study shows that the proposed method offers advantages to improve model interpretability, to be computationally extensive, and to produce better model accuracy.

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