Standard Normal Variate Research Articles

Discriminant analysis of a mixture of pathogenic bacteria into different types and proportions by surface-enhanced Raman scattering spectroscopy combined with chemometric methods

Accurate identification and discrimination of bacteria is crucial for ensuring food safety and reducing pathogenic infections. This study presents a novel approach that combines surface-enhanced Raman scattering spectroscopy (SERS) with chemometric methods for discriminant analysis of a mixture of pathogenic bacteria into different types and proportions. Au@Ag@SiO2 composite nanomaterials were employed as the SERS substrate to collect Raman spectra of multiple pathogenic bacteria. Partial least squares discriminant analysis (PLS-DA) and orthogonal partial least squares discriminant analysis (OPLS-DA) methods were combined with standard normal variate (SNV) to discriminate the different species of mixed bacteria and the multiple proportion mixed bacterial samples, respectively. The results showed that SNV-PLS-DA had good classification performance in the discriminant analysis of different species of mixed bacteria, with an accuracy of 92% for the external test set. Furthermore, both SNV-PLS-DA and SNV-OPLS-DA models exhibited excellent classification performance in the discrimination of multiple pathogenic bacteria at different mixing proportions, achieving 100% accuracy in the external test set, but except for mixed samples of Escherichia coli and Salmonella typhimurium. Our method demonstrates the accurate capability of the SERS platform combined with chemometric methods in the discriminant analysis of multiple pathogenic bacteria at different species and mixing proportions, which provides novel insights for the synchronous analysis of multiple pathogenic bacteria.

Probabilistic zero bounds of certain random polynomials

Abstract This paper introduces the notion of probabilistic zero bounds for random polynomials. It presents new results regarding the probabilistic bounds of random polynomials whose coefficients are independently and identically distributed as standard normal variates. Additionally, the paper provides a clear exposition of the developed methodology. To establish our results, we develop a novel approach utilizing the classical Cauchy’s bounds for the zeros of a deterministic polynomial with complex coefficients. We also corroborate our analytical results with extensive simulations. The methodology developed in the paper can potentially be applied to a broad class of problems regarding bounds and the distribution of zeros in the theory of random polynomials.

Machine learning based technique to predict the water adulterant in milk using portable near infrared spectroscopy

Milk adulteration is a significant problem globally, as it is the most widely consumed and essential food product. Due to this, monitoring milk quality is necessary for sustaining human health. A Machine Learning (ML) based non-destructive system was developed to identify water adulteration in milk using Near Infrared (NIR) Spectroscopy. A database was created by mixing water in milk in varying proportions (0–40 %) and capturing spectra using compact TI DLP NIR scan Nano spectroscopy in the 900–1700 nm range. The captured spectra were pre-processed with the Savitzky-Golay (SG) filter, Multiplicative Scatter Correction (MSC), and Standard Normal Variate (SNV) method. The most informative wavelength points were selected using the wavelength/feature selection technique, and the dimensions of these wavelengths were reduced using Principal Component Analysis (PCA). Various ML models were employed to predict the water concentration in milk. Both classification and regression methods were applied to check the system's performance. In the regression analysis, the k-Nearest Neighbour (KNN) achieved the best R2, Root Mean Square Error (RMSE), Standard Error of Prediction (SEP), Mean Absolute Error (MAE), Ratio of Performance to Deviation (RPD), Leave One Out Cross-Validation (LOOCV)-R2, and LOOCV-RMSE of 0.999, 0.399 mL ( % v/v), 0.096 mL ( % v/v), 0.227 mL ( % v/v), 33.005, 0.999, and 0.353 mL ( % v/v), respectively, while for classification analysis, the Random Forest (RF) achieved 100 % accuracy and Matthew's Correlation Coefficient (MCC). The impact of the proposed portable system, which has the potential to reshape practices and set new standards for food quality assurance, transformative, and offers solutions to critical challenges in the dairy industry.

Fast detection of moisture content and freshness for loquats using optical fiber spectroscopy.

Detection of the moisture content (MC) and freshness for loquats is crucial for achieving optimal taste and economic efficiency. Traditional methods for evaluating the MC and freshness of loquats have disadvantages such as destructive sampling and time-consuming. To investigate the feasibility of rapid and non-destructive detection of the MC and freshness for loquats, optical fiber spectroscopy in the range of 200-1000 nm was used in this study. The full spectra were pre-processed using standard normal variate method, and then, the effective wavelengths were selected using competitive adaptive weighting sampling (CARS) and random frog algorithms. Based on the selected effective wavelengths, prediction models for MC were developed using partial least squares regression (PLSR), multiple linear regression, extreme learning machine, and back-propagation neural network. Furthermore, freshness level discrimination models were established using simplified k nearest neighbor, support vector machine (SVM), and partial least squares discriminant analysis. Regarding the prediction models, the CARS-PLSR model performed relatively better than the other models for predicting the MC, with R 2 P and RPD values of 0.84 and 2.51, respectively. Additionally, the CARS-SVM model obtained superior discrimination performance, with 100% accuracy for both calibration and prediction sets. The results demonstrated that optical fiber spectroscopy technology is an effective tool to fast detect the MC and freshness for loquats.

A Comparison of Spectral Preprocessing Methods and Their Effects on Nutritional Traits in Cowpea Germplasm

ABSTRACTCowpea (Vigna unguiculata L. (Walp)) is a multipurpose legume, which has good nutritional properties. Nutritional parameters assessed conventionally can be labour intensive, costly and time taking for germplasm screening. Near‐infrared reflectance spectroscopy (NIRS) is a rapid and nondestructive method, which can facilitate high‐throughput germplasm screening. In our study, estimation of amylose and sugars has been done using NIRS. Two preprocessing methods, that is, SNV‐DT (standard normal variate with detrending) and MSC (multiplicative scatter correction), were performed for optimization of the original spectra. Subsequently, MPLS (modified partial least square) regression method was employed to construct the prediction models. In amylose, the best RSQexternal (coefficient of determination) (0.962) was found in SNV‐DT with mathematical treatment 3,8,8,2. The same result was shown in sugar where the best RSQexternal (0.914) was found in SNV‐DT with mathematical treatment 3,4,4,1. Overall, in the case of amylose and sugars, SNV‐DT was found to be a good preprocessing treatment than MSC. Paired t‐test values in all the treatments for both the preprocessing methods were > 0.05 indicating their reliability. High RSQexternal values for both the traits imply the applicability of the prediction models. Thus, these models can facilitate high‐throughput germplasm screening in different national and international crop improvement programmes focusing on quality traits.

Research on the chemical oxygen demand spectral inversion model in water based on IPLS-GAN-SVM hybrid algorithm.

Spectral collinearity and limited spectral datasets are the problems influencing Chemical Oxygen Demand (COD) modeling. To address the first problem and obtain optimal modeling range, the spectra are preprocessed using six methods including Standard Normal Variate, Savitzky-Golay Smoothing Filtering (SG) etc. Subsequently, the 190-350 nm spectral range is divided into 10 subintervals, and Interval Partial Least Squares (IPLS) is used to perform PLS modeling on each interval. The results indicate that it is best modeled in the 7th range (238~253 nm). The values of Mean Square Error (MSE), Mean Absolute Error (MAE) and R2score of the model without pretreatment are 1.6489, 1.0661, and 0.9942. After pretreatment, the SG is better than others, with MSE and MAE decreasing to 1.4727, 1.0318 and R2score improving to 0.9944. Using the optimal model, the predicted COD for three samples are 10.87 mg/L, 14.88 mg/L, and 19.29 mg/L. To address the problem of the small dataset, using Generative Adversarial Networks for data augmentation, three datasets are obtained for Support Vector Machine (SVM) modeling. The results indicate that, compared to the original dataset, the SVM's MSE and MAE have decreased, while its accuracy has improved by 2.88%, 11.53%, and 11.53%, and the R2score has improved by 18.07%, 17.40%, and 18.74%.

Non-Destructive Prediction of Chemical Content in Palm Oil Fruit Using Near-Infrared Spectroscopy and Artificial Neural Network

Oil and water content are an important quality criteria of crude palm oil (CPO) resulted from palm oil fruit processing. Those contents are usually determined using chemical method in the laboratory. This method is time consuming, long procedure, and destructive. Some efforts had been carried out to determine oil and water content of palm oil fruit non-destructively using some methods including Near-Infrared Spectroscopy (NIRS), but the results had not been satisfied. This research aims to assess Artificial Neural Network (ANN) and NIRS method to predict oil and water content of palm oil fruit’s non-destructively. The samples were palm oil fruits with ten maturity levels harvested from plantation in Bogor. Sample’s reflectance was measured with spectrometer NIR-Flex 500 at wavelength of 1000-2500 nm. After that, oil and water content were determined using chemical method. Some pre-treatments of NIR spectra namely normalization, savitzky-golay first derivative, their combinations, and standard normal variate were applied. Multivariate analysis such as PLS were carried out and the results of Factor Component (FC) were input for ANN model. The result showed the best method to predict oil content was combination savitzky-golay first derivative and normalization pre-treatment using PLS-ANN with 20 FC (R2=0.99; SEC=0,58%, RPD = 29.89; CV = 2.47%). For water content, the best prediction was standard normal variate pre-treatment using PLS-ANN with 20 FC (R2=0.99; SEC=1,07%, RPD=20.68; CV=1,73%). The result shows that developed ANN and NIRS can predict oil and water content of palm oil fruit non-destructively.

基于可见/近红外光谱的鲜枣可溶性固形物在线检测

Soluble solid content (SSC) is one of the important evaluation indexes of the internal quality and taste of fresh jujube. In order to realize the online nondestructive detection of SSC of fresh jujube, this paper took Huping jujube as the research object, adopted self-constructed nondestructive online testing system to collect the spectral information of jujubes (350~2500 nm), and studied the influence of the rotational speed of 4 r/min on the online prediction model of SSC of jujube. Kennard-Stone (KS) algorithm was used to divide the sample into correction set and prediction set. Six commonly used preprocessing methods such as SG smoothing (S-G), multiplicative scatter correction (MSC), standard normal variate (SNV), orthogonal signal correction (OSC), first derivative (FD), and second derivative (SD) were applied to the spectral data, and the regression coefficient (RC) algorithm and the successive projections algorithm (SPA) were utilized to select informative wavelengths, and a quantitative prediction model for the SSC of Huping jujube was established using partial least squares regression (PLSR). The results indicate that the PLSR prediction model established by preprocessing the original spectrum with OSC and combining it with RC algorithm to select characteristic wavelengths was optimal. Therefore, when predicting the SSC of Huping jujube, the optimal model was OSC-RC-PLSR, and the correlation coefficients of the correction set and prediction set were 0.846 and 0.782, respectively, and the corrected root mean square error (RMSEC) and predicted root mean square error (RMSEP) were 1.962 and 2.247, respectively. The results show that non-destructive detection of soluble solid content of jujube can be achieved by combining visible-near-infrared spectroscopy and appropriate regression model, which provides an innovative way for online sorting and identifying fresh jujube.

Development of near-infrared spectroscopy calibration model and monitoring software: For monitoring hexamethylenetetramine concentration in hexamethylenetetramine–acetic acid solution

In recent years, near-infrared spectroscopy has been increasingly used in chemical engineering processes. However, accurately and in real-time monitoring concentrations remains highly challenging. This study presents a method for accurately monitoring the hexamethylenetetramine concentration in hexamethylenetetramine-acetic acid solution by integrating near-infrared spectroscopy with software techniques. Compared to the methods of zero mean standardization (Z-score), standard normal variate (SNV), first derivative (D1), second derivative (D2), and vector normalization (VN), the Savitzky-Golay first derivative (SGFD) method effectively addresses issues related to baseline drift, noise, and other interferences. This results in clearer identification of characteristic absorption peaks of different components and a significant improvement in the accuracy of the analysis. The study combined the uninformative variable elimination (UVE), differential evolution (DE), and moth flame optimization (MFO) algorithms to optimize a feature wavenumber selection method, which reduced the number of variables by 78.74 %, and the values of root mean square error of calibration set (RMSEC) and root mean square error of prediction (RMSEP) by 18.86 % and 30.38 %, respectively. Additionally, the analytical method was integrated with real-time monitoring software, enabling the monitoring of hexamethylenetetramine concentration. This integration supports the improvement of the quality and safety of the manufacturing process. The results demonstrate the potential application of near-infrared spectroscopy in real-time monitoring and automated control of chemical processes in the chemical industry.

Urine Metabolite Profiles after the Consumption of a Low- and a High-Digestible Protein Meal, and Comparison of Urine Normalization Techniques.

In the context of dietary transition toward plant proteins, it is necessary to ensure protein security in populations. It would thus be of interest to identify biomarkers of altered protein digestibility in populations. We examined the association between urinary metabolites and the acute intake of low- or highly digestible protein in healthy volunteers. The urine samples were collected before and 9 h after the ingestion of a meal containing either no protein, zein (low-digestible) or whey protein isolate (highly digestible). The liquid chromatography-high resolution mass spectrometry metabolomics approach was used for the profiling of the urinary metabolites. For the standardization of metabolomics data sets, osmolality-based, standard normal variates (SNV) and probabilistic quotient normalization (PQN) techniques were used. The ANOVA-based factorial method, AComDim_ICA, was used for chemometrics analysis. The osmolality adjustment has a beneficial effect and the subsequent mathematical normalization improves the chemometric analysis further. Some changes in the urinary metabolomes were observed 9 h after the meal in the three groups. However, there was no difference in the urine metabolome between groups. No biomarker of protein digestibility can be identified after the ingestion of a single meal, even when marked differences in the digestion efficiency of protein have been observed.

Non-Destructive Near-Infrared Moisture Detection of Dried Goji (Lycium barbarum L.) Berry

To detect the moisture of dried Goji (Lycium barbarum L.) berries nondestructively, a near-infrared (NIR) hyperspectral imager was used for experiments. NIR hyperspectral data were obtained and processed by standard normal variate (SNV) calculation using the MATLAB software v.R2016a. On the basis of the actual moisture of dried Goji berries, the predicted moisture was obtained based on the partial least squares (PLS) algorithm and a prediction model for the moisture of dried goji berries was established. It was found that the moisture of dried Goji berries was responsive to the NIR hyperspectral imager. The established prediction model could accurately predict the moisture of dried goji berries, and its R2-value was 0.9981. The results provide a theoretical basis for the design of non-destructive moisture-detecting equipment for dried Goji berries.

Soybean polypeptide content detection based on fusion of spectral and image information

Soybean polypeptide is a protein hydrolysate. It has multiple benefits, such as anticancer, antioxidant, etc. Addressing the limitations of traditional methods, such as time-consuming procedures and high costs, this study proposed a novel approach for the rapid, nondestructive detection of soybean polypeptide content. This approach utilizes the fusion of spectral and image information. First, seven preprocessing methods were applied to the spectral data. The results indicated that the model accuracy was highest after applying the standard normal variate preprocessing method. Second, a combined method, consisting of synergy interval partial least squares and iteratively retains informative variables, was proposed to extract characteristic variables. A two-layer Stacking framework ensemble learning model was constructed to compare the detection effects between single spectral input and fusion of spectral and image information input. The results showed that the fusion input model achieved the best performance. The coefficient of determination (R 2) of prediction of the fusion input model reached 0.952, an improvement of 0.061 compared to single spectral input. And root mean square error of prediction (RMSEP) of the fusion input model reached 1.803 × 10−4, a reduction of 7.43 × 10−5 compared to single spectral input. These results indicate that the fusion of spectral and image information can effectively improve the model’s accuracy, offering valuable technical support for soybean breeding and quality detection.

Non-Destructive Near-Infrared Technology for Efficient Cannabinoid Analysis in Cannabis Inflorescences.

In the evolving field of cannabis research, scholars are exploring innovative methods to quantify cannabinoids rapidly and non-destructively. This study evaluates the effectiveness of a hand-held near-infrared (NIR) device for quantifying total cannabidiol (total CBD), total delta-9-tetrahydrocannabinol (total THC), and total cannabigerol (total CBG) in whole cannabis inflorescences. Employing pre-processing techniques, including standard normal variate (SNV) and Savitzky-Golay (SG) smoothing, we aim to optimize the portable NIR technology for rapid and non-destructive cannabinoid analysis. A partial least-squares regression (PLSR) model was utilized to predict cannabinoid concentration based on NIR spectra. The results indicated that SNV pre-processing exhibited superior performance in predicting total CBD concentration, yielding the lowest root mean square error of prediction (RMSEP) of 2.228 and the highest coefficient of determination for prediction (R2P) of 0.792. The ratio of performance to deviation (RPD) for total CBD was highest (2.195) with SNV. In contrast, raw data exhibited the least accurate predictions for total THC, with an R2P of 0.812, an RPD of 2.306, and an RMSEP of 1.651. Notably, total CBG prediction showed unique characteristics, with raw data yielding the highest R2P of 0.806. SNV pre-processing emerges as a robust method for precise total CBD quantification, offering valuable insights into the optimization of a hand-held NIR device for the rapid and non-destructive analysis of cannabinoid in whole inflorescence samples. These findings contribute to ongoing efforts in developing portable and efficient technologies for cannabinoid analysis, addressing the increasing demand for quick and accurate assessment methods in cannabis cultivation, pharmaceuticals, and regulatory compliance.

Natural Gas Induced Vegetation Stress Identification and Discrimination from Hyperspectral Imaging for Pipeline Leakage Detection

Remote sensing detection of natural gas leaks remains challenging when using ground vegetation stress to detect underground pipeline leaks. Other natural stressors may co-present and complicate gas leak detection. This study explores the feasibility of identifying and distinguishing gas-induced stress from other natural stresses by analyzing the hyperspectral reflectance of vegetation. The effectiveness of this discrimination is assessed across three distinct spectral ranges (VNIR, SWIR, and Full spectra). Greenhouse experiments subjected three plant species to controlled environmental stressors, including gas leakage, salinity impact, heavy-metal contamination, and drought exposure. Spectral curves obtained from the experiments underwent preprocessing techniques such as standard normal variate, first-order derivative, and second-order derivative. Principal component analysis was then employed to reduce dimensionality in the spectral feature space, facilitating input for linear/quadratic discriminant analysis (LDA/QDA) to identify and discriminate gas leaks. Results demonstrate an average accuracy of 80% in identifying gas-stressed plants from unstressed ones using LDA. Gas leakage can be discriminated from scenarios involving a single distracting stressor with an accuracy ranging from 76.4% to 84.6%, with drought treatment proving the most successful. Notably, first-order derivative processing of VNIR spectra yields the highest accuracy in gas leakage detection.

Automated classification pipeline for real-time in vivo examination of colorectal tissue using Raman spectroscopy

Colorectal cancer is the third most common malignancy worldwide and one of the leading causes of death in oncological patients with its diagnosis typically involving confirmation by tissue biopsy. In vivo Raman spectroscopy, an experimental diagnostic method less invasive than a biopsy, has shown great potential to discriminate between normal and cancerous tissue. However, the complex and often manual processing of Raman spectra along with the absence of a suitable instant classifier are the main obstacles to its adoption in clinical practice. This study aims to address these issues by developing a real-time automated classification pipeline coupled with a user-friendly application tailored for non-spectroscopists. First, in addition to routine colonoscopy, 377 subjects underwent in vivo acquisitions of Raman spectra of healthy tissue, adenomatous polyps, or cancerous tissue, which were conducted using a custom-made microprobe. The spectra were then loaded into the pipeline and pre-processed in several steps, including standard normal variate transformation and finite impulse response filtration. The quality of the pre-processed spectral data was checked based on their signal-to-noise ratio before the suitable spectra were decomposed and classified using a combination of principal component analysis and a support vector machine, respectively. After five-fold cross-validation, the developed classifier exhibited 100% sensitivity toward adenocarcinoma and adenomatous polyps. The overall accuracy was 96.9% and 79.2% for adenocarcinoma and adenomatous polyps respectively. In addition, an application with a graphical user interface was developed to facilitate the use of our data pipeline by medical professionals in a clinical environment. Overall, the combination of supervised and unsupervised machine learning with algorithmic pre-processing of in vivo Raman spectra appears to be a viable way of reducing the relatively large number of biopsies currently needed to definitively diagnose colorectal cancer.

Construction of a sustainable model to predict the moisture content of porang powder (Amorphophallus oncophyllus) based on pointed-scan visible near-infrared spectroscopy

Abstract The moisture content of porang powder (PP) is an inherent quality parameter. Therefore, several analytical methods, such as oven drying and Karl–Fischer titration, were applied to determine the content. However, these techniques are noted to have various disadvantages, such as being time-consuming, requiring sample preparation, being labor-intensive, and producing chemical waste. This study aims to investigate the potential of visible near-infrared (Vis-NIR) spectroscopy as a nondestructive and sustainable analytical technology to predict moisture content in PP. In this study, we developed a traditional machine learning algorithm, a partial least squares regression (PLSR), in tandem with two spectral bands, which are Vis-NIR (400–1,000 nm) and NIR (954–1,700 nm). To upgrade the performance of PLSR, we applied seven preprocessing techniques: mean normalization, maximum normalization, range normalization, multiplicative scatter correction, standard normal variate (SNV), and Savitzky–Golay first and second derivatives. We found that PLSR using NIR spectral bands was more effective; the preprocessed mean normalization exhibited the best results with a coefficient of determination ( R p 2 ) \left({R}_{p}^{2}) of 0.96 and a standard error prediction (SEP) of 0.56 using five latent variables. Furthermore, we also extracted 39 optimum wavelengths using variable importance in projection and achieved better performance ( R p 2 {R}_{p}^{2} = 0.95, SEP = 0.56%wb, and 5 LVs) via SNV preprocessed NIR spectra.

Assessment of adenosine triphosphate content in sausages stuffed in different modified casing treatments added with orange extracts, utilising hyperspectral imaging combined with multivariate analysis.

An investigation was conducted using a hyperspectral imaging (HSI) system to non-invasively estimate adenosine triphosphate (ATP) content in vacuum packaged sausages in different modified casing treatments added with orange extracts after a year of storage at 4°C. Various pre-processing combinations were applied to the spectra to enhance the performance of partial least squares regression (PLSR). PLSR models, utilising the full absorbance spectrum with pre-treatment of standard normal variate combined with 1st derivative,exhibited prediction coefficients of determination (Rp2) reaching up to 0.6629. A distribution map developed through MATLAB was employed to display the location and concentration of ATP content in these unique sausages for the first time. The integration of HSI and multivariate analysis not only quantifies but also visually represents the changes in ATP content response to the different casing treatments, demonstrating the significant potential for real-time inspection in the processed meat industry.

Application of hyperspectral imaging and colorimetric sensor array coupled with multivariate analysis for quality detection during salted duck eggs processing

AbstractIn order to realize the evaluation of salted duck eggs quality, this study constructed salts‐sensitive colorimetric sensor array (CSA) based on silver nanoprisms (AgNPRs) etching principle and utilized hyperspectral imaging (HSI) system to capture the reflectance spectral of CSA and section of salted duck eggs. To minimize the noise in spectral signals, three preprocessing methods including Savitzky–Golay Smoothing (SG), standard normal variate (SNV) transformation, and multiplicative scatter correction were used. The competitive adaptive reweighted sampling and uninformative variables elimination were used to select the optimal wavelengths, and then partial least squares regression was used to predict moisture, lipid, and salt content (SC). Results demonstrated coefficients of determination of 0.8200, 0.8969, 0.8709, and 0.9239 for protein moisture, yolk moisture, yolk lipid, and protein SC. Visualization distribution maps successfully display the distribution of moisture and lipid content during salting periods. The results indicated that the CSA based on AgNPRs etching principle can be an effective tool in quantitative measurement of salt and HSI combining CSA can be applied to evaluate the quality of salted duck eggs comprehensively. The study offers a rapid detection method for the production and processing of salted duck eggs in the industry.Practical applicationA novel salts‐sensitive CSA was constructed to evaluate quality of salted duck eggs based on AgNPRs etching. This study designed and developed a portable sample collection device using 3D printing technology to acquire the information of samples and CSA at the same time. This study combined with HSI system and colorimetric sensor technology to evaluate the quality of salted duck eggs during the salting process.

Quantitative analysis of reducing sugars in solid‐state fermentation based on NIR combined with GA‐AdaBoost

SummaryThis study focuses primarily on the real‐time monitoring of reducing sugar levels throughout solid‐state ethanol fermentation. A predictive model for accurate quantification of reducing sugar levels will be formulated through a comprehensive analysis of near‐infrared spectra across different fermentation stages. Building a predictive model using Adaptive Boosting (AdaBoost), The spectral data was pre‐processed using the Standard Normal Variate (SNV) method, followed by feature band selection using the Genetic Algorithm (GA), resulting in the identification of 181 characteristic wavelengths. The resulting GA‐AdaBoost model has excellent performance metrics: of 0.989, RMSEC of 0.393, of 0.978, RMSEP of 0.640, RPD of 6.651 and RER of 0.142. Comparative evaluations against Competitive Adaptive Reweighted Sampling (CARS), Successive Projection Algorithm (SPA), Uninformative Variable Elimination (UVE) and Principal Component Analysis (PCA) consistently underscore the superior efficacy of the GA‐AdaBoost model. These results robustly confirm its reliability in accurately quantifying reducing sugars in solid‐state fermentation processes.

Quantitative Analysis of Near-Infrared Spectroscopy Using the BEST-1DConvNet Model

In the quest for enhanced precision in near-infrared spectroscopy (NIRS), in this study, the application of a novel BEST-1DConvNet model for quantitative analysis is investigated against conventional support vector machine (SVM) approaches with preprocessing such as multiplicative scatter correction (MSC) and standard normal variate (SNV). We assessed the performance of these methods on NIRS datasets of diesel, gasoline, and milk using a Fourier Transform Near-Infrared (FT-NIR) spectrometer having a wavelength range of 900–1700 nm for diesel and gasoline and 4000–10,000 nm for milk, ensuring comprehensive spectral capture. The BEST-1DConvNet’s effectiveness in chemometric predictions was quantitatively gauged by improvements in the coefficient of determination (R2) and reductions in the root mean square error (RMSE). The BEST-1DConvNet model achieved significant performance enhancements compared to the MSC + SNV + 1D + SVM model. Notably, the R2 value for diesel increased by approximately 48.85% despite a marginal RMSE decrease of 0.92%. R2 increased by 11.30% with a 3.32% RMSE reduction for gasoline, and it increased by 8.71%, accompanied by a 3.51% RMSE decrease for milk. In conclusion, the BEST-1DConvNet model demonstrates superior predictive accuracy and reliability in NIRS data analysis, marking a substantial leap forward in spectral analysis technology. This advancement could potentially streamline their integration into various industrial applications and highlight the role of convolutional neural networks in future chemometric methodologies.