scholarly journals Prediction of Soil-Available Potassium Content with Visible Near-Infrared Ray Spectroscopy of Different Pretreatment Transformations by the Boosting Algorithms

2020 ◽  
Vol 10 (4) ◽  
pp. 1520
Author(s):  
Xiu Jin ◽  
Shaowen Li ◽  
Wu Zhang ◽  
Juanjuan Zhu ◽  
Jia Sun
Keyword(s):  
Regression Models ◽  
Near Infrared ◽  
Potassium Concentration ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Standard Normal Variate ◽  
Standard Normal ◽  
Boosting Algorithms ◽  
Near Infrared Ray

The application of visible near-infrared (VIS-NIR) analysis technology to quantify the nutrients in soil has been widely recognized. It is important to improve the performance of regression models that can predict the soil-available potassium concentration. This study collected soil samples from southern Anhui, China, and concentrated on the modelling methods by using 29 pretreatment methods. The results show that a combination of three methods, Savitzky–Golay, standard normal variate, and dislodge tendency, exhibited better stability than others because it was the most capable of achieving levels A and B of the ratio of performance of deviation. The boosting algorithms that form an ensemble of multiple weak predictors exhibited better performance than partial least square (PLS) regression and support vector regression (SVR) for the prediction of soil-available potassium. These regression models could be employed to precisely predict the soil-available potassium concentration.

scholarly journals Aplikasi Near Infrared Spectroscopy (NIRS) Untuk Mendeteksi Pencemaran Tanah

2019 ◽  
Vol 4 (2) ◽  
pp. 397-406
Author(s):  
Puji Meihani ◽  
Agus Arip Munawar ◽  
Devianti Devianti
Keyword(s):  
Infrared Spectroscopy ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Model Performance ◽  
Correction Method ◽  
Partial Least Square ◽  
Least Square ◽  
Standard Normal Variate ◽  
Standard Normal ◽  
Spectrum Correction

Abstrak. Penelitian ini bertujuan untuk mendeteksi pencemaran tanah (zat Pb, Zn dan Cu) dengan menggunakan NIRS. Metode yang dilakukan ialah skala laboratorium dan hasil uji menggunakan NIRS. Pada pengujian menggunakan NIRS, metode koreksi spektrum yang digunakan ialah Standard Normal Variate (SNV) dan De-Trending (DT) sedangkan dalam membangun model prediksi, metode regresi yang digunakan yakni Partial Least Square (PLS). Keakuratan model prediksi dilihat berdasarkan parameter statistika seperti r, R2, RMSEC dan RPD. Hasil yang didapatkan pada pengujian menggunakan NIRS pada prediksi data mentah untuk ketiga parameter (Pb, Zn dan Cu) didapatkan nilai RPD masing-masing 2.69, 2.69, dan 2.68. Nilai tersebut termasuk ke dalam kategori good model performance. Untuk meningkatkan nilai RPD, dilakukan prediksi setelah dikoreksi menggunakan SNV. Nilai RPD yang didapatkan pada masing-masing parameter (Pb, Zn dan Cu) adalah 5.21, 4.56, dan 4.78. Nilai-nilai prediksi tersebut masuk ke dalam kategori very good performance. Sedangkan nilai RPD untuk prediksi menggunakan SNV untuk ketiga parameter (Pb, Zn dan Cu) masing-masing 4.31, 4.39 dan 4.08 yang dikategorikan sebagai very good performance. Berdasarkan nilai RPD yang didapatkan dari ketiga prediksi, prediksi dengan menggunakan SNV yang paling baik karena memiliki nilai RPD yang paling tinggi.The Application of Near Infrared Spectroscopy (NIRS) to Soil Contamination DetectionAbstract. This study aims to soil pollution detection (Pb, Zn and Cu substances) by using NIRS. The method used are the laboratory scale and using NIRS. In using NIRS method, the spectrum correction method used is Standard Normal Variate (SNV) and De-Trending (DT). Prediction model using Partial Least Square (PLS). The accuracy of the prediction model is based on the statistical parameters such as r, R2, RMSEC and RPD. The results based on the NIRS method obtained the values of RPD are 2.69, 2.69, and 2.68 in prediction of raw data for parameters (Pb, Zn and Cu). These values belong to good model performance category. To increase the RPD score, prediction were made by using SNV spectrum correction method. RPD values obtained in each parameter (Pb, Zn and Cu) were 5.21, 4.56, and 4.78. These predictive values can be categorized as very good performance. The values of RPD for prediction used DT for the three parameters (Pb, Zn and Cu) 4.31, 4.39 and 4.08 which are categorized as very good performance. Based on RPD values obtained from the three predictions, predictions using SNV are the best because it has the highest RPD value.

scholarly journals Quantification of potassium concentration with Vis–SWNIR spectroscopy in fresh lettuce

2020 ◽  
Vol 13 (06) ◽  
pp. 2050029
Author(s):  
Yating Xiong ◽  
Shintaroh Ohashi ◽  
Kazuhiro Nakano ◽  
Weizhong Jiang ◽  
Kenichi Takizawa ◽  
...  
Keyword(s):  
Near Infrared ◽  
Potassium Concentration ◽  
Spectral Characteristics ◽  
Public Health Problem ◽  
Short Wave ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Support Vector ◽  
Major Public Health Problem

Chronic kidney disease (CKD) is becoming a major public health problem worldwide, and excessive potassium intake is a health threat to patients with CKD. In this study, visible–short-wave near-infrared (Vis–SWNIR) spectroscopy and chemometric algorithms were investigated as nondestructive methods for assessing the potassium concentration in fresh lettuce to benefit the CKD patients’ health. Interactance and transmittance measurements were performed and the competencies were compared based on the multivariate methods of partial least-square regression (PLS) and support vector machine regression (SVR). Meanwhile, several preprocessing methods [first- and second-order derivatives in combination with standard normal variate (SNV)] and wavelength selection method of competitive adaptive reweighted sampling (CARS) were applied to eliminate noise and highlight the spectral characteristics. The PLS models yielded better prediction than the SVR models with higher correlation coefficients ([Formula: see text]) and residual predictive deviation (RPD), and lower root-mean-square error of prediction (RMSEP). Excellent prediction of green leaves was obtained by the interactance measurement with [Formula: see text], [Formula: see text][Formula: see text]mg/100[Formula: see text]g, and [Formula: see text]; while the transmittance spectra of petioles provided optimal prediction with [Formula: see text], [Formula: see text][Formula: see text]mg/100[Formula: see text]g, and RPD[Formula: see text]=[Formula: see text]3.34, respectively. Therefore, the results indicated that Vis–SWNIR spectroscopy is capable of intelligently detecting potassium concentration in fresh lettuce to benefit CKD patients around the world in maintaining and enhancing their health.

Rapid Determining Contents of the Rhubarb Anthraquinones Compounds by Support Vector Machines Modeling based on Near Infrared Spectra

2020 ◽  
Vol 16 ◽  
Author(s):  
Linqi Liu ◽  
JInhua Luo ◽  
Chenxi Zhao ◽  
Bingxue Zhang ◽  
Wei Fan ◽  
...  
Keyword(s):  
Infrared Spectra ◽  
Near Infrared ◽  
Mean Squared Error ◽  
Rapid Determination ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Near Infrared Spectra ◽  
Aloe Emodin ◽  
Relative Differences

BACKGROUND: Measuring medicinal compounds to evaluate their quality and efficacy has been recognized as a useful approach in treatment. Rhubarb anthraquinones compounds (mainly including aloe-emodin, rhein, emodin, chrysophanol and physcion) are its main effective components as purgating drug. In the current Chinese Pharmacopoeia, the total anthraquinones content is designated as its quantitative quality and control index while the content of each compound has not been specified. METHODS: On the basis of forty rhubarb samples, the correlation models between the near infrared spectra and UPLC analysis data were constructed using support vector machine (SVM) and partial least square (PLS) methods according to Kennard and Stone algorithm for dividing the calibration/prediction datasets. Good models mean they have high correlation coefficients (R2) and low root mean squared error of prediction (RMSEP) values. RESULTS: The models constructed by SVM have much better performance than those by PLS methods. The SVM models have high R2 of 0.8951, 0.9738, 0.9849, 0.9779, 0.9411 and 0.9862 that correspond to aloe-emodin, rhein, emodin, chrysophanol, physcion and total anthraquinones contents, respectively. The corresponding RMSEPs are 0.3592, 0.4182, 0.4508, 0.7121, 0.8365 and 1.7910, respectively. 75% of the predicted results have relative differences being lower than 10%. As for rhein and total anthraquinones, all of the predicted results have relative differences being lower than 10%. CONCLUSION: The nonlinear models constructed by SVM showed good performances with predicted values close to the experimental values. This can perform the rapid determination of the main medicinal ingredients in rhubarb medicinal materials.

scholarly journals Theoretical Simulation of Near-Infrared Spectrum of Piperine: Insight into Band Origins and the Features of Regression Models

2021 ◽  
pp. 000370282110279
Author(s):  
Justyna Grabska ◽  
Krzysztof B. Beć ◽  
Sophia Mayr ◽  
Christian W. Huck
Keyword(s):  
Infrared Spectrum ◽  
Regression Models ◽  
Near Infrared ◽  
Computing Time ◽  
Black Pepper ◽  
Partial Least Square ◽  
Least Square ◽  
Complex Nature ◽  
Chemical Information ◽  
Near Infrared Spectrum

We investigated the near-infrared spectrum of piperine using quantum mechanical calculations. We evaluated two efficient approaches, DVPT2//PM6 and DVPT2//ONIOM [PM6:B3LYP/6-311++G(2df, 2pd)] that yielded a simulated spectrum with varying accuracy versus computing time factor. We performed vibrational assignments and unveiled complex nature of the near-infrared spectrum of piperine, resulting from a high level of band convolution. The most meaningful contribution to the near-infrared absorption of piperine results from binary combination bands. With the available detailed near-infrared assignment of piperine, we interpreted the properties of partial least square regression models constructed in our earlier study to describe the piperine content in black pepper samples. Two models were compared with spectral data sets obtained with a benchtop and a miniaturized spectrometer. The two spectrometers implement distinct technology which leads to a profound instrumental difference and discrepancy in the predictive performance when analyzing piperine content. We concluded that the sensitivity of the two instruments to certain types of piperine vibrations is different and that the benchtop spectrometer unveiled higher selectivity. Such difference in obtaining chemical information from a sample can be one of the reasons why the benchtop spectrometer performs better in analyzing the piperine content of black pepper. This evidenced direct correspondence between the features critical for applied near-infrared spectroscopic routine and the underlying vibrational properties of the analyzed constituent in a complex sample.

Classification of Automobile Lubricant by Near-Infrared Spectroscopy Combined with Machine Classification

2011 ◽  
Vol 460-461 ◽  
pp. 667-672
Author(s):  
Yun Zhao ◽  
Xing Xu ◽  
Yong He
Keyword(s):  
Near Infrared ◽  
Prediction Models ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Training Set ◽  
Test Set ◽  
Svm Model

The main objective of this paper is to classify four kinds of automobile lubricant by near-infrared (NIR) spectral technology and to observe whether NIR spectroscopy could be used for predicting water content. Principle component analysis (PCA) was applied to reduce the information from the spectral data and first two PCs were used to cluster the samples. Partial least square (PLS), least square support vector machine (LS-SVM), and Gaussian processes classification (GPC) were employed to develop prediction models. There were 120 samples for training set and test set. Two LS-SVM models with first five PCs and first six PCs were built, respectively, and accuracy of the model with five PCs is adequate with less calculation. The results from the experiment indicate that the LS-SVM model outperforms the PLS model and GPC model outperforms the LS-SVM model.

scholarly journals Estimation of strawberry firmness using hyperspectral imaging: a comparison of regression models

2021 ◽  
Author(s):  
Binu Devassy ◽  
Sony George
Keyword(s):  
Hyperspectral Imaging ◽  
Regression Models ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Support Vector ◽  
Regression Techniques ◽  
Important Quality ◽  
Non Destructive ◽  
Better Than

Firmness is one of the most important quality measures of strawberries, and is related to other aspects of the fruit, such as flavour, ripeness and internal characteristics. The most popular method for measuring firmness is puncturing with a penetrometer, which is destructive and time-consuming. In the present study, we make an attempt to predict the firmness of strawberries in a fast, non-destructive and non-contact way using hyperspectral imaging (HSI) and data analysis with various regression techniques. The primary goal of this research is to investigate and compare the firmness prediction capability of seven prominent regression techniques. We have performed HSI data acquisition of 150 strawberries and optimised seven regression models using the spectral information to predict strawberry firmness. These models are linear, ridge, lasso, k-neighbours, random forest, support vector and partial least square regression. The res ults show that HSI data with regression models has the potential to predict firmness in a rapid, non-destructive manner. Out of these seven regression models, the k-neighbours regression model outperformed all other methods with a standard error of prediction of 0.14, which is better than that of the state-of-the-art results.

Visible-near infrared spectroscopy for detection of blood in sheep faeces

2020 ◽  
Vol 28 (5-6) ◽  
pp. 255-266 ◽  
Author(s):  
Elise A Kho ◽  
Jill N Fernandes ◽  
Andrew C Kotze ◽  
Glen P Fox ◽  
Maggy Lord ◽  
...  
Keyword(s):  
Support Vector Machine ◽  
Infrared Spectroscopy ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Mean Squared Error ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Root Mean Squared Error ◽  
Squared Error

Heavy infestations of the blood-sucking gastrointestinal nematodes, Haemonchus contortus can cause severe anaemia in sheep and leakage of blood into the faeces, leading to morbidity and mortality. Early and accurate diagnosis of infections is critical for timely treatment of sheep, minimizing production and sheep welfare impacts. In pursuit of a quick and easy measure of H. contortus infections, we investigated the use of portable visible near infrared spectrometers for detecting the presence of haemoglobin in sheep faeces as an indicator of H. contortus infection. Calibration models built within the 400–600 nm region by partial least square regression resulted in acceptable prediction accuracies (r 2 p > 0.70 and root mean squared error of prediction <2.64 µg Hb mg−1 faeces) for haemoglobin quantification using two spectrometers. The prediction results from support vector machine regression further improved the prediction of haemoglobin in moist sheep faeces (r 2 p > 0.87 and root mean squared error of prediction <2.00 µg haemoglobin mg−1 faeces). Based on a threshold for anthelmintic treatment of 3 µg Hb mg−1 faeces, both the partial least square and support vector machine models showed high sensitivity (89%) and high specificity (>77%). The specificity of the prediction model for detecting haemoglobin in sheep faeces may be improved by adding more variations in faecal composition into the calibration model. Our success in detecting haemoglobin in sheep faeces, following minimal sample preparation, suggests that with further development, vis–near infrared spectroscopy can provide a sensitive and convenient method for on-farm diagnosis of H. contortus infections.

Spectroscopy quantitative analysis cotton content of blend fabrics

2016 ◽  
Vol 28 (1) ◽  
pp. 65-76 ◽  
Author(s):  
Xudong Sun ◽  
Mingxing Zhou ◽  
Yize Sun
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Content Type ◽  
Svm Model ◽  
Calibration Methods ◽  
Learning Machine ◽  
Mean Square Errors

Purpose – The purpose of this paper is to develop near infrared (NIR) techniques coupled with multivariate calibration methods to rapid measure cotton content in blend fabrics. Design/methodology/approach – In total, 124 and 41 samples were used to calibrate models and assess the performance of the models, respectively. Multivariate calibration methods of partial least square (PLS), extreme learning machine (ELM) and least square support vector machine (LS-SVM) were employed to develop the models. Through comparing the performance of PLS, ELM and LS-SVM models with new samples, the optimal model of cotton content was obtained with LS-SVM model. The correlation coefficient of prediction (r p ) and root mean square errors of prediction were 0.98 and 4.50 percent, respectively. Findings – The results suggest that NIR technique combining with LS-SVM method has significant potential to quantitatively analyze cotton content in blend fabrics. Originality/value – It may have commercial and regulatory potential to avoid time consuming work, costly and laborious chemical analysis for cotton content in blend fabrics.

scholarly journals Transferability and scaling of soil total carbon prediction models in Florida

2014 ◽  
Author(s):  
Sabine Grunwald ◽  
Congrong Yu ◽  
Xiong Xiong
Keyword(s):  
Prediction Error ◽  
Near Infrared ◽  
Prediction Models ◽  
Regional Scale ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Total Carbon ◽  
Support Vector ◽  
Domain Iii

The applicability, transfer, and scalability of visible/near-infrared (VNIR)-derived soil models are still poorly understood. The objectives of this study in Florida, U.S. were to: (i) compare three methods to predict soil total carbon (TC) using five fields (local scale) and a pooled (regional scale) VNIR spectral dataset, (ii) assess the model’s transferability among fields, and (iii) evaluate the up- and down-scaling behavior of TC prediction models. A total of 560 TC-spectral sets were modeled by Partial Least Square Regression (PLSR), Support Vector Machine (SVM), and Random Forest. The transferability and up- and down-scaling of models were limited by the following factors: (i) the spectral data domain, (ii) soil attribute domain, (iii) methods that describe the internal model structure of VNIR-TC relationships, and (iv) environmental domain space of attributes that control soil carbon dynamics. All soil logTC models showed excellent performance based on all three methods with R2 > 0.86, bias < 0.01%, root mean square prediction error (RMSE) = 0.09%, residual predication deviation (RPD) > 2.70% , and ratio of prediction error to inter-quartile range (RPIQ) > 4.54. PLSR performed substantially better than SVM to scale and transfer models. Upscaled soil TC models performed somewhat better in terms of model fit (R2), RPD, and RPIQ, whereas downscaled models showed less bias and smaller RMSE based on PLSR. Given the many factors that can impinge on empirically derived soil spectral prediction models, as demonstrated by this study, more focus on the applicability and scaling of them is needed.

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