Identification of heavy metal-contaminated Tegillarca granosa using laser-induced breakdown spectroscopy and linear regression for classification

Tegillarca granosa(T.granosa)is susceptible to heavy metals,which may pose a threat to consumer health.Thus,healthy and polluted T.granosa should be distinguished quickly.This study aimed to rapidly identify heavy metal pollution by using laser-induced breakdown spectroscopy(LIBS)coupled with linear regression classification(LRC).Five types of T.granosa were studied,namely,Cd-,Zn-,Pb-contaminated,mixed contaminated,and control samples.Threshold method was applied to extract the significant variables from LIBS spectra.Then,LRC was used to classify the different types of T.granosa.Other classification models and feature selection methods were used for comparison.LRC was the best model,achieving an accuracy of 90.67%.Results indicated that LIBS combined with LRC is effective and feasible for T.granosa heavy metal detection.

A strategy to significantly improve the classification accuracy of LIBS data:application for the determination of heavy metals in Tegillarca granosa

Tegillarca granosa,as a popular seafood among consumers,is easily susceptible to pollution from heavy metals.Thus,it is essential to develop a rapid detection method for Tegillarca granosa.For this issue,five categories of Tegillarca granosa samples consisting of a healthy group;Zn,Pb,and Cd polluted groups;and a mixed pollution group of all three metals were used to detect heavy metal pollution by combining laser-induced breakdown spectrometry(LIBS)and the newly proposed linear regression classification-sum of rank difference(LRC-SRD)algorithm.As the comparison models,least regression classification(LRC),support vector machine(SVM),and k-nearest neighbor(KNN)and linear discriminant analysis were also utilized.Satisfactory accuracy(0.93)was obtained by LRC-SRD model and which performs better than other models.This demonstrated that LIBS coupled with LRC-SRD is an efficient framework for Tegillarca granosa heavy metal detection and provides an alternative to replace traditional methods.

Rapid identification of healthy Tegillarca granosa using laser-induced breakdown spectroscopy and fusion model

Objectives:This study presents a method combining a one-class classifier and laser-induced breakdown spectrometry(LIBS)to quickly identify healthy Tegillarca granosa(T.granosa).Materials and Methods:The sum of ranking differences(SRD)was used to fuse multiple anomaly detection metrics to build the one-class classifier,which was only trained with healthy T.granosa.The one-class classifier can identify healthy T.granosa to exclude non-healthy T.granosa.The proposed method calculated multiple anomaly detection metrics and standardized them to obtain a fusion matrix.Based on the fusion matrix,the samples were ranked by SRD and those ranked lowest and below the threshold were considered to be unhealthy.Results:Multiple anomaly detection metrics were fused by the SRD algorithm and tested on each band,and the final fusion model achieved an accuracy rate of 98.46%,a sensitivity of 100%,and a specificity of 80%.The remaining three single classification models obtained the following results:the SVDD model achieved an accuracy rate of 87.69%,a sensitivity of 90%,and a specificity of 60%;the OCSVM model achieved an accuracy rate of 80%,a sensitivity of 76.67%,and a specificity of 60%;and the DD-SIMCA model achieved an accuracy rate of 95.38%,a sensitivity of 98.33%,and a specificity of 60%.Conclusions:The experimental results showed that the proposed method achieved better results than the traditional one-class classification methods with a single metric.Therefore,the fusion method effectively improves the performance of traditional one-class classifiers when using LIBS to quickly identify healthy substances(healthy T.granosa).

Gaussian process regression for prediction and confidence analysis of fruit traits by near-infrared spectroscopy

Detection of fruit traits by using near-infrared(NIR)spectroscopy may encounter out-of-distribution samples that exceed the generalization ability of a constructed calibration model.Therefore,confidence analysis for a given prediction is required,but this cannot be done using common calibration models of NIR spectroscopy.To address this issue,this paper studied the Gaussian process regression(GPR)for fruit traits detection using NIR spectroscopy.The mean and variance of the GPR were used as the predicted value and confidence,respectively.To show this,a real NIR data set related to dry matter content measurements in mango was used.Compared to partial least squares regression(PLSR),GPR showed approximately 14%lower root mean squared error(RMSE)for the in-distribution test set.Compared with no confidence analysis,using the variance of GPR to remove abnormal samples made GPR and PLSR showed approximately 58%and 10%lower RMSE on the mixed distribution test set,respectively(when the type 1 error rate was set to 0.1).Compared with traditional one-class classification methods,the variance of the GPR can be used to effectively eliminate poorly predicted samples.

Development of one-class classification method for identifying healthy T.granosa from those contaminated with uncertain heavy metals by LIBS

Laser-induced breakdown spectroscopy(LIBS)can be used for the rapid detection of heavy metal contamination of Tegillarca granosa(T.granosa),but an appropriate classification model needs to be constructed.In the one-class classification method,only target samples are needed in training process to achieve the recognition of abnormal samples,which is suitable for rapid identification of healthy T.granosa from those contaminated with uncertain heavy metals.The construction of a one-class classification model for heavy metal detection in T.granosa by LIBS has faced the problem of high-dimension and small samples.To solve this problem,a novel one-class classification method was proposed in this study.Here,the principal component scores and the intensity of the residual spectrum were combined as extracted features.Then,a one-class classifier based on Mahalanobis distance using the extracted features was constructed and its threshold was set by leave-one-out crossvalidation.The sensitivity,specificity and accuracy of the proposed method were reached to 1,0.9333 and 0.9667 respectively,which are superior to the previously reported methods.