scholarly journals Rapid Determination of Soil Class Based on Visible-Near Infrared, Mid-Infrared Spectroscopy and Data Fusion

2020 ◽  
Vol 12 (9) ◽  
pp. 1512
Author(s):  
Hanyi Xu ◽  
Dongyun Xu ◽  
Songchao Chen ◽  
Wanzhu Ma ◽  
Zhou Shi
Keyword(s):  
Near Infrared ◽  
Soil Classification ◽  
Classification Model ◽  
Support Vector ◽  
Product Analysis ◽  
Outer Product ◽  
Prediction Ability ◽  
Mid Infrared ◽  
Soil Class ◽  
Soil Information

Wise soil management requires detailed soil information, but conventional soil class mapping in a rather coarse spatial resolution cannot meet the demand for precision agriculture. With the advantages of non-destructiveness, rapid cost-efficiency, and labor savings, the spectroscopic technique has proved its high potential for success in soil classification. Previous studies mainly focused on predicting soil classes using a single sensor. In this study, we attempted to compare the predictive ability of visible near infrared (vis-NIR) spectra, mid-infrared (MIR) spectra, and their fused spectra for soil classification. A total of 146 soil profiles were collected from Zhejiang, China, and the soil properties and spectra were measured by their genetic horizons. Along with easy-to-measure auxiliary soil information (soil organic matter, soil texture, color and pH), four spectral data, including vis-NIR, MIR, their simple combination (vis-NIR-MIR), and outer product analysis (OPA) fused spectra, were used for soil classification using a multiple objectives mixed support vector machine model. The independent validation results showed that the classification model using MIR (accuracy of 64.5%) was slightly better than that using vis-NIR (accuracy of 64.2%). The predictive model built on vis-NIR-MIR did not improve the classification accuracy, having the lowest accuracy of 61.1%, which likely resulted from an over-fitting problem. The model based on OPA fused spectra performed best with an accuracy of 68.4%. Our results prove the potential of fusing vis-NIR and MIR using OPA for improving prediction ability for soil classification.

scholarly journals Comparison of Spectroscopic Techniques Combined with Chemometrics for Cocaine Powder Analysis

2020 ◽  
Vol 44 (8) ◽  
pp. 851-860
Author(s):  
Joy Eliaerts ◽  
Natalie Meert ◽  
Pierre Dardenne ◽  
Vincent Baeten ◽  
Juan-Antonio Fernandez Pierna ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Near Infrared ◽  
Evaluation Criteria ◽  
Classification Model ◽  
Support Vector ◽  
Spectroscopic Techniques ◽  
Data Set ◽  
Promising Tool ◽  
Powder Analysis ◽  
Mir Spectra

Abstract Spectroscopic techniques combined with chemometrics are a promising tool for analysis of seized drug powders. In this study, the performance of three spectroscopic techniques [Mid-InfraRed (MIR), Raman and Near-InfraRed (NIR)] was compared. In total, 364 seized powders were analyzed and consisted of 276 cocaine powders (with concentrations ranging from 4 to 99 w%) and 88 powders without cocaine. A classification model (using Support Vector Machines [SVM] discriminant analysis) and a quantification model (using SVM regression) were constructed with each spectral dataset in order to discriminate cocaine powders from other powders and quantify cocaine in powders classified as cocaine positive. The performances of the models were compared with gas chromatography coupled with mass spectrometry (GC–MS) and gas chromatography with flame-ionization detection (GC–FID). Different evaluation criteria were used: number of false negatives (FNs), number of false positives (FPs), accuracy, root mean square error of cross-validation (RMSECV) and determination coefficients (R2). Ten colored powders were excluded from the classification data set due to fluorescence background observed in Raman spectra. For the classification, the best accuracy (99.7%) was obtained with MIR spectra. With Raman and NIR spectra, the accuracy was 99.5% and 98.9%, respectively. For the quantification, the best results were obtained with NIR spectra. The cocaine content was determined with a RMSECV of 3.79% and a R2 of 0.97. The performance of MIR and Raman to predict cocaine concentrations was lower than NIR, with RMSECV of 6.76% and 6.79%, respectively and both with a R2 of 0.90. The three spectroscopic techniques can be applied for both classification and quantification of cocaine, but some differences in performance were detected. The best classification was obtained with MIR spectra. For quantification, however, the RMSECV of MIR and Raman was twice as high in comparison with NIR. Spectroscopic techniques combined with chemometrics can reduce the workload for confirmation analysis (e.g., chromatography based) and therefore save time and resources.

scholarly journals Cancer Discrimination Using Fourier Transform Near-Infrared Spectroscopy with Chemometric Models

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Hui Chen ◽  
Zan Lin ◽  
Chao Tan
Keyword(s):  
Cancer Diagnosis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Classification Model ◽  
Support Vector ◽  
Biomedical Analysis ◽  
First Derivative ◽  
Svm Model ◽  
High Prediction

Near-infrared (NIR) spectroscopy technique offers many potential advantages as tool for biomedical analysis since it enables the subtle biochemical signatures related to pathology to be detected and extracted. In conjunction with advanced chemometrics, NIR spectroscopy opens the possibility of their use in cancer diagnosis. The study focuses on the application of near-infrared (NIR) spectroscopy and classification models for discriminating colorectal cancer. A total of 107 surgical specimens and a corresponding NIR diffuse reflection spectral dataset were prepared. Three preprocessing methods were attempted and least-squares support vector machine (LS-SVM) was used to build a classification model. The hybrid preprocessing of first derivative and principal component analysis (PCA) resulted in the best LS-SVM model with the sensitivity and specificity of 0.96 and 0.96 for the training and 0.94 and 0.96 for test sets, respectively. The similarity performance on both subsets indicated that overfitting did not occur, assuring the robustness and reliability of the developed LS-SVM model. The area of receiver operating characteristic (ROC) curve was 0.99, demonstrating once again the high prediction power of the model. The result confirms the applicability of the combination of NIR spectroscopy, LS-SVM, PCA, and first derivative preprocessing for cancer diagnosis.

Classification of fish species from different ecosystems using the near infrared diffuse reflectance spectra of otoliths

2020 ◽  
Vol 28 (4) ◽  
pp. 224-235
Author(s):  
Irina M Benson ◽  
Beverly K Barnett ◽  
Thomas E Helser
Keyword(s):  
Discriminant Analysis ◽  
Spatial Variability ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Classification Model ◽  
Support Vector ◽  
Otolith Chemistry ◽  
K Nearest Neighbor ◽  
Fisheries Science

Applications of Fourier transform near infrared (FT-NIR) spectroscopy in fisheries science are currently limited. This current analysis of otolith spectral data demonstrate the potential applicability of FT-NIR spectroscopy to otolith chemistry and spatial variability in fisheries science. The objective of this study was to examine the use of NIR spectroscopy as a tool to differentiate among marine fishes in four large marine ecosystems. We examined otoliths from 13 different species, with three of these species coming from different regions. Principal component analysis described the main directions along which the specimens were separated. The separation of species and their ecosystems may suggest interactions between fish phylogeny, ontogeny, and environmental conditions that can be evaluated using NIR spectroscopy. In order to discriminate spectra across ecosystems and species, four supervised classification model techniques were utilized: soft independent modelling of class analogies, support vector machine discriminant analysis, partial least squares discriminant analysis, and k-nearest neighbor analysis (KNN). This study showed that the best performing model to classify combined ecosystems, all four ecosystems, and species was the KNN model, which had an overall accuracy rate of 99.9%, 97.6%, and 91.5%, respectively. Results from this study suggest that further investigations are needed to determine applications of NIR spectroscopy to otolith chemistry and spatial variability.

scholarly journals Cultivar Classification of Single Sweet Corn Seed Using Fourier Transform Near-Infrared Spectroscopy Combined with Discriminant Analysis

2019 ◽  
Vol 9 (8) ◽  
pp. 1530 ◽  
Author(s):  
Guangjun Qiu ◽  
Enli Lü ◽  
Ning Wang ◽  
Huazhong Lu ◽  
Feiren Wang ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Seed Quality ◽  
Sweet Corn ◽  
Full Range ◽  
Classification Model ◽  
Support Vector ◽  
Corn Seed ◽  
Discriminant Analyses

Seed purity is a key indicator of crop seed quality. The conventional methods for cultivar identification are time-consuming, expensive, and destructive. Fourier transform near-infrared (FT-NIR) spectroscopy combined with discriminant analyses, was studied as a rapid and nondestructive technique to classify the cultivars of sweet corn seeds. Spectra with a range of 1000–2500 nm collected from 760 seeds of two cultivars were used for the discriminant analyses. Thereafter, 126 feature wavelengths were identified from 1557 wavelengths using a genetic algorithm (GA) to build simplified classification models. Four classification algorithms, namely K-nearest neighbor (KNN), soft independent method of class analogy (SIMCA), partial least-squares discriminant analysis (PLS-DA), and support vector machine discriminant analysis (SVM-DA) were tested on full-range wavelengths and feature wavelengths, respectively. With the full-range wavelengths, all four algorithms achieved a high classification accuracy range from 97.56% to 99.59%, and the SVM-DA worked better than other models. From the feature wavelengths, no significant decline in accuracies was observed in most of the models and a high accuracy of 99.19% was still obtained by the PLS-DA model. This study demonstrated that using the FT-NIR technique with discriminant analyses could be a feasible way to classify sweet corn seed cultivars and the proper classification model could be embedded in seed sorting machinery to select high-purity seeds.

Dairy Product Analysis: Identification of Microorganisms by Mid-Infrared Spectroscopy and Determination of Constituents by Raman Spectroscopy

1995 ◽  
Vol 78 (6) ◽  
pp. 1537-1541 ◽  
Author(s):  
Angela Fehrmann ◽  
Monika Franz ◽  
Andreas Hoffmann ◽  
Lutz Rudzik ◽  
Eberhard Wüst
Keyword(s):  
Raman Spectroscopy ◽  
Infrared Spectroscopy ◽  
Near Infrared ◽  
Dairy Product ◽  
Milk Powder ◽  
Solid Content ◽  
Product Analysis ◽  
Mid Infrared ◽  
Mid Infrared Spectroscopy ◽  
Microbiological Methods

Abstract Identification of microorganisms by traditional microbiological methods is time consuming. The German Federal Health Office has developed a method using mid-infrared spectroscopy to identify microorganisms rapidly. This method has been modified for application to microorganisms important in the dairy industry. Mid- and near-infrared spectroscopies are well-established methods for quantitative measurements of fat, protein, lactose, and solid content in a variety of products. A disadvantage of both methods is the huge absorption due to water; extraction of other components is complicated and can be achived only statistically. With Raman spectroscopy, water causes less absorption. We investigated the use of Raman spectroscopy as a quantitative method for milk powder.

scholarly journals A New Plant Indicator (Artemisia lavandulaefolia DC.) of Mercury in Soil Developed by Fourier-Transform Near-Infrared Spectroscopy Coupled with Least Squares Support Vector Machine

2019 ◽  
Vol 2019 ◽  
pp. 1-6
Author(s):  
Lu Xu ◽  
Qiong Shi ◽  
Bang-Cheng Tang ◽  
Shunping Xie
Keyword(s):  
Support Vector Machine ◽  
Fourier Transform ◽  
Least Squares ◽  
Near Infrared ◽  
Mercury Level ◽  
Reference Method ◽  
Nir Spectroscopy ◽  
Classification Model ◽  
Support Vector ◽  
Reference Analysis

A rapid indicator of mercury in soil using a plant (Artemisia lavandulaefolia DC., ALDC) commonly distributed in mercury mining area was established by fusion of Fourier-transform near-infrared (FT-NIR) spectroscopy coupled with least squares support vector machine (LS-SVM). The representative samples of ALDC (stem and leaf) were gathered from the surrounding and distant areas of the mercury mines. As a reference method, the total mercury contents in soil and ALDC samples were determined by a direct mercury analyzer incorporating high-temperature decomposition, catalytic adsorption for impurity removal, amalgamation capture, and atomic absorption spectrometry (AAS). Based on the FT-NIR data of ALDC samples, LS-SVM models were established to distinguish mercury-contaminated and ordinary soil. The results of reference analysis showed that the mercury level of the areas surrounding mercury mines (0–3 kilometers, 7.52–88.59 mg/kg) was significantly higher than that of the areas distant from mercury mines (>5 kilometers, 0–0.75 mg/kg). The LS-SVM classification model of ALDC samples was established based on the original spectra, smoothed spectra, second-derivative (D2) spectra, and standard normal transformation (SNV) spectra, respectively. The prediction accuracy of D2-LS-SVM was the highest (0.950). FT-NIR combined with LS-SVM modeling can quickly and accurately identify the contaminated ALDC. Compared with traditional methods which rely on naked eye observation of plants, this method is objective and more sensitive and applicable.

scholarly journals Classification of Granite Soils and Prediction of Soil Water Content Using Hyperspectral Visible and Near-Infrared Imaging

Sensors ◽  
2020 ◽  
Vol 20 (6) ◽  
pp. 1611 ◽  
Author(s):  
Hwan-Hui Lim ◽  
Enok Cheon ◽  
Deuk-Hwan Lee ◽  
Jun-Seo Jeon ◽  
Seung-Rae Lee
Keyword(s):  
Water Content ◽  
Soil Water ◽  
Soil Water Content ◽  
Near Infrared ◽  
Classification Model ◽  
Projection Algorithm ◽  
Support Vector ◽  
Ann Model ◽  
Landslide Hazards ◽  
Combining Data

Soil water content is one of the most important physical indicators of landslide hazards. Therefore, quickly and non-destructively classifying soils and determining or predicting water content are essential tasks for the detection of landslide hazards. We investigated hyperspectral information in the visible and near-infrared regions (400–1000 nm) of 162 granite soil samples collected from Seoul (Republic of Korea). First, effective wavelengths were extracted from pre-processed spectral data using the successive projection algorithm to develop a classification model. A gray-level co-occurrence matrix was employed to extract textural variables, and a support vector machine was used to establish calibration models and the prediction model. The results show that an optimal correct classification rate of 89.8% could be achieved by combining data sets of effective wavelengths and texture features for modeling. Using the developed classification model, an artificial neural network (ANN) model for the prediction of soil water content was constructed. The input parameter was composed of Munsell soil color, area of reflectance (near-infrared), and dry unit weight. The accuracy in water content prediction of the developed ANN model was verified by a coefficient of determination and mean absolute percentage error of 0.91 and 10.1%, respectively.

scholarly journals Discrimination of Trichosanthis Fructus from Different Geographical Origins Using Near Infrared Spectroscopy Coupled with Chemometric Techniques

Molecules ◽  
2019 ◽  
Vol 24 (8) ◽  
pp. 1550 ◽  
Author(s):  
Liang Xu ◽  
Wen Sun ◽  
Cui Wu ◽  
Yucui Ma ◽  
Zhimao Chao
Keyword(s):  
Discriminant Analysis ◽  
Classification Accuracy ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Classification Model ◽  
Support Vector ◽  
Model Parameters ◽  
Classification Models ◽  
Crude Drugs ◽  
Chemometric Techniques

Near infrared (NIR) spectroscopy with chemometric techniques was applied to discriminate the geographical origins of crude drugs (i.e., dried ripe fruits of Trichosanthes kirilowii) and prepared slices of Trichosanthis Fructus in this work. The crude drug samples (120 batches) from four growing regions (i.e., Shandong, Shanxi, Hebei, and Henan Provinces) were collected, dried, and used and the prepared slice samples (30 batches) were purchased from different drug stores. The raw NIR spectra were acquired and preprocessed with multiplicative scatter correction (MSC). Principal component analysis (PCA) was used to extract relevant information from the spectral data and gave visible cluster trends. Four different classification models, namely K-nearest neighbor (KNN), soft independent modeling of class analogy (SIMCA), partial least squares-discriminant analysis (PLS-DA), and support vector machine-discriminant analysis (SVM-DA), were constructed and their performances were compared. The corresponding classification model parameters were optimized by cross-validation (CV). Among the four classification models, SVM-DA model was superior over the other models with a classification accuracy up to 100% for both the calibration set and the prediction set. The optimal SVM-DA model was achieved when C =100, γ = 0.00316, and the number of principal components (PCs) = 6. While PLS-DA model had the classification accuracy of 95% for the calibration set and 98% for the prediction set. The KNN model had a classification accuracy of 92% for the calibration set and 94% for prediction set. The non-linear classification method was superior to the linear ones. Generally, the results demonstrated that the crude drugs from different geographical origins and the crude drugs and prepared slices of Trichosanthis Fructus could be distinguished by NIR spectroscopy coupled with SVM-DA model rapidly, nondestructively, and reliably.

scholarly journals Rapid identification of Lactobacillus species using near infrared spectral features of bacterial colonies

2019 ◽  
Vol 27 (4) ◽  
pp. 302-313
Author(s):  
Jiyong Shi ◽  
Xuetao Hu ◽  
Xiaobo Zou ◽  
Zhiming Guo ◽  
Mel Holmes ◽  
...  
Keyword(s):  
Support Vector Machine ◽  
Near Infrared ◽  
Rapid Identification ◽  
Lactobacillus Species ◽  
Support Vector ◽  
Spectral Features ◽  
Mid Infrared ◽  
Near Infrared Spectra ◽  
Infrared Spectral ◽  
Chemical Groups

The feasibility of rapid identification of Lactobacillus species using near-infrared spectral features coupled with chemometrics was investigated. First, bacterial colonies of 11 Lactobacillus strains covering four species ( Lactobacillus casei, Lactobacillus reuteri, Lactobacillus brevis, and Lactobacillus fermentum) were cultured using the spread-plate technique. Near-infrared spectra data of the Lactobacillus species were collected directly from the bacterial colonies. Second, 10 wavenumbers were selected from the near-infrared spectra data using uninformative variables elimination and genetic algorithm, and calibration models based on the 10 selected wavenumbers were built using least squares support vector machine. The identification rates for the prediction set and validation set were 89.04 and 85%, respectively. Third, chemical groups of the Lactobacillus cells contributing to the identification of the Lactobacillus strains were identified using mid infrared. The results of mid infrared data analysis indicated that 9 chemical groups could be considered characteristics for categorizing the 11 Lactobacillus strains. The relationship between the 10 selected wavenumbers and identified chemical groups was identified, which supported the satisfactory performance of the least squares support vector machine calibration model. This study demonstrated that near-infrared spectral features of bacterial colonies could be used for Lactobacillus typing at the strain level.

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