Comparison of random forest, support vector machine and back propagation neural network for electronic tongue data classification: Application to the recognition of orange beverage and Chinese vinegar

Abstract Random forest (RF) has been proposed on the basis of classification and regression trees (CART) with “ensemble learning” strategy by Breiman in 2001. In this paper, RF is introduced and investigated for electronic tongue (E-tongue) data processing. The experiments were designed for type and brand recognition of orange beverage and Chinese vinegar by an E-tongue with seven potentiometric sensors and an Ag/AgCl reference electrode. Principal component analysis (PCA) was used to visualize the distribution of total samples of each data set. Back propagation neural network (BPNN) and support vector machine (SVM), as comparative methods, were also employed to deal with four data sets. Five-fold cross-validation (CV) with twenty replications was applied during modeling and an external testing set was employed to validate the prediction performance of models. The average correct rates (CR) on CV sets of the four data sets performed by BPNN, SVM and RF were 86.68%, 66.45% and 99.07%, respectively. RF has been proved to outperform BPNN and SVM, and has some advantages in such cases, because it can deal with classification problems of unbalanced, multiclass and small sample data without data preprocessing procedures. These results suggest that RF may be a promising pattern recognition method for E-tongues.

[1]  Ting Wang,et al.  Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling , 2005, J. Chem. Inf. Model..

[2]  J. Saja,et al.  E-tongue based on a hybrid array of voltammetric sensors based on phthalocyanines, perylene derivatives and conducting polymers : Discrimination capability towards red wines elaborated with different varieties of grapes , 2006 .

[3]  Leo Breiman,et al.  Bagging Predictors , 1996, Machine Learning.

[4]  S. Buratti,et al.  Characterization and classification of Italian Barbera wines by using an electronic nose and an amperometric electronic tongue , 2004 .

[5]  B. Nicolai,et al.  The electronic tongue and ATR–FTIR for rapid detection of sugars and acids in tomatoes , 2006 .

[6]  C Di Natale,et al.  Direct and two-stage data analysis procedures based on PCA, PLS-DA and ANN for ISE-based electronic tongue-Effect of supervised feature extraction. , 2005, Talanta.

[7]  C. Balla,et al.  Electronic tongue for sensing taste changes with apricots during storage , 2008 .

[8]  Monica Casale,et al.  CAIMAN brothers: A family of powerful classification and class modeling techniques , 2009 .

[9]  Rishemjit Kaur,et al.  A novel approach using Dynamic Social Impact Theory for optimization of impedance-Tongue (iTongue) , 2011 .

[10]  Adele Cutler,et al.  Random forests for microarrays. , 2006, Methods in enzymology.

[11]  H. Nam,et al.  Multicomponent analysis of Korean green tea by means of disposable all-solid-state potentiometric electronic tongue microsystem , 2003 .

[12]  Roberto Paolesse,et al.  Clinical analysis of human urine by means of potentiometric Electronic tongue. , 2009, Talanta.

[13]  Vasyl Kovalishyn,et al.  Predictive QSAR modeling of phosphodiesterase 4 inhibitors. , 2012, Journal of molecular graphics & modelling.

[14]  K. Brudzewski,et al.  Milk classification by means of an electronic tongue and Support Vector Machine neural network , 2006 .

[15]  Dong-Sheng Cao,et al.  Feature importance sampling‐based adaptive random forest as a useful tool to screen underlying lead compounds , 2011 .

[16]  E. Llobet,et al.  Monitoring of physical–chemical and microbiological changes in fresh pork meat under cold storage by means of a potentiometric electronic tongue , 2011 .

[17]  Florian F. Bauer,et al.  Instrumental measurement of bitter taste in red wine using an electronic tongue , 2010, Analytical and bioanalytical chemistry.

[18]  Corinna Cortes,et al.  Support-Vector Networks , 1995, Machine Learning.

[19]  R. Brereton,et al.  Support vector machines for classification and regression. , 2010, The Analyst.

[20]  T. Hancock,et al.  Bagged super wavelets reduction for boosted prostate cancer classification of seldi-tof mass spectral serum profiles , 2006 .

[21]  Agnes Sass-Kiss,et al.  Physical–chemical and sensory properties of pulsed electric field and high hydrostatic pressure treated citrus juices , 2011 .

[22]  A. Llobera,et al.  Hybrid electronic tongue for the characterization and quantification of grape variety in red wines , 2011 .

[23]  Xin Lu,et al.  A random forest of combined features in the classification of cut tobacco based on gas chromatography fingerprinting. , 2010, Talanta.

[24]  J. Suykens,et al.  A tutorial on support vector machine-based methods for classification problems in chemometrics. , 2010, Analytica chimica acta.

[25]  B. Nicolai,et al.  Analysis of tomato taste using two types of electronic tongues , 2008 .

[26]  Roberto Todeschini,et al.  Geographical classification of wine and olive oil by means of classification and influence matrix analysis (CAIMAN). , 2006, Analytica chimica acta.

[27]  A. Legin,et al.  Differentiation of four Aspergillus species and one Zygosaccharomyces with two electronic tongues based on different measurement techniques. , 2005, Journal of biotechnology.

[28]  Roberto Muñoz,et al.  Multivariate calibration model from overlapping voltammetric signals employing wavelet neural networks , 2006 .

[29]  Alisa Rudnitskaya,et al.  Evaluation of a novel chemical sensor system to detect clinical mastitis in bovine milk. , 2007, Biosensors & bioelectronics.

[30]  A. C. Veloso,et al.  An electronic tongue taste evaluation: identification of goat milk adulteration with bovine milk , 2009 .

[31]  I. Lundström,et al.  Supervision of rinses in a washing machine by a voltammetric electronic tongue , 2005 .

[32]  Jun Wang,et al.  Classification of monofloral honeys by voltammetric electronic tongue with chemometrics method , 2011 .

[33]  Zbigniew Brzozka,et al.  Electronic tongue for flow-through analysis of beverages , 2006 .

[34]  Leo Breiman,et al.  Random Forests , 2001, Machine Learning.

[35]  Wei Zheng,et al.  Spectroscopic diagnosis of laryngeal carcinoma using near-infrared Raman spectroscopy and random recursive partitioning ensemble techniques. , 2009, The Analyst.

[36]  Jun Wang,et al.  Electronic Tongue Coupled with Physicochemical Analysis for the Recognition of Orange Beverages , 2012 .

[37]  Julian Broséus,et al.  Multi-class differentiation of cannabis seedlings in a forensic context , 2011 .

[38]  Patrycja Ciosek,et al.  The analysis of sensor array data with various pattern recognition techniques , 2006 .

[39]  J. Brezmes,et al.  Fish freshness analysis using metallic potentiometric electrodes , 2008 .

[40]  Patrycja Ciosek,et al.  ISE-based sensor array system for classification of foodstuffs , 2006 .

[41]  Yun Xu,et al.  Support Vector Machines: A Recent Method for Classification in Chemometrics , 2006 .

[42]  T. Hancock,et al.  Adaptive wavelet modelling of a nested 3 factor experimental design in NIR chemometrics , 2006 .

[43]  J. Saja,et al.  Application of an electronic tongue to study the effect of the use of pieces of wood and micro-oxygenation in the aging of red wine , 2010 .

[44]  R. Edrada-Ebel,et al.  A chemometric study of chromatograms of tea extracts by correlation optimization warping in conjunction with PCA, support vector machines and random forest data modeling. , 2009, Analytica chimica acta.

[45]  Zbigniew Brzozka,et al.  Classification of beverages using a reduced sensor array , 2004 .

[46]  D. Ballabio,et al.  Evaluation of different storage conditions of extra virgin olive oils with an innovative recognition tool built by means of electronic nose and electronic tongue , 2007 .

[47]  A. C. Veloso,et al.  An electronic tongue for gliadins semi-quantitative detection in foodstuffs. , 2011, Talanta.

[48]  Andrew R. Webb,et al.  Statistical Pattern Recognition , 1999 .

[49]  Robert P. Sheridan,et al.  Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling , 2003, J. Chem. Inf. Comput. Sci..

[50]  M. Pardo,et al.  Random forests and nearest shrunken centroids for the classification of sensor array data , 2008 .

[51]  L. Estevinho,et al.  An electronic tongue for honey classification , 2008 .

[52]  Patrycja Ciosek,et al.  The Recognition of Growth Conditions and Metabolic Type of Plants by a Potentiometric Electronic Tongue , 2006 .

[53]  G Pioggia,et al.  A composite sensor array impedentiometric electronic tongue Part II. Discrimination of basic tastes. , 2007, Biosensors & bioelectronics.

[54]  Constantin Apetrei,et al.  Using an e-tongue based on voltammetric electrodes to discriminate among red wines aged in oak barrels or aged using alternative methods: Correlation between electrochemical signals and analytical parameters , 2007 .

[55]  Vladimir Vapnik,et al.  Statistical learning theory , 1998 .

[56]  Roberto Paolesse,et al.  Detection of alcohols in beverages: An application of porphyrin-based Electronic tongue , 2006 .

[57]  Hashem Tamimi,et al.  Developing a powerful In Silico tool for the discovery of novel caspase-3 substrates: a preliminary screening of the human proteome , 2011, BMC Bioinformatics.

[58]  E. Llobet,et al.  An electronic tongue design for the qualitative analysis of natural waters , 2005 .

[59]  T. Hancock,et al.  A performance comparison of modern statistical techniques for molecular descriptor selection and retention prediction in chromatographic QSRR studies , 2005 .

[60]  A. Zamojska,et al.  The monitoring of methane fermentation in sequencing batch bioreactor with flow-through array of miniaturized solid state electrodes. , 2010, Talanta.

[61]  Zbigniew Brzózka,et al.  Analysis of dialysate fluids with the use of a potentiometric electronic tongue , 2008 .

[62]  Jiewen Zhao,et al.  Identification of the green tea grade level using electronic tongue and pattern recognition , 2008 .

[63]  Stephen P. Gurden,et al.  A comparison of multiway regression and scaling methods , 2001 .

[64]  Andy Liaw,et al.  Classification and Regression by randomForest , 2007 .

[65]  Zhenbo Wei,et al.  Detection of antibiotic residues in bovine milk by a voltammetric electronic tongue system. , 2011, Analytica chimica acta.

[66]  Yoav Freund,et al.  Boosting a weak learning algorithm by majority , 1995, COLT '90.

[67]  Jun Wang,et al.  Discrimination of Xihulongjing tea grade using an electronic tongue , 2009 .