A digital image smartphone-based approach to Slovak Tokaj wine authentication chemometric assisted.

The authentication of Slovak wines in comparison to other similar wines from various geographical regions, namely Hungary, France, Austria, and Ukraine, was conducted using the OC-PLS, DD-SIMCA, and PLS-DM models, all of them operating in rigorous way. The study involved 63 samples, of which 41 originated from Slovakia, covering diverse wine types such as varietal wines, cuvée selections (different "putnový"), and essence. To capture digital images under controlled conditions, a custom-made cardboard box with white inner surfaces was devised and equipped with a smartphone. During the training phase, sensitivities of 96%, 100%, and 96% were attained for OC-PLS, DD-SIMCA, and PLS-DM, respectively. In the subsequent stages of validation and testing for DD-SIMCA and PLS-DM, the proposed methods displayed optimal efficiency, achieving both sensitivity and specificity rates of 100%. However, such results were not achieved in the case of OC-PLS, which exhibited efficiency levels of 90% in validation and 80% in testing.

A green method for the authentication of sugarcane spirit and prediction of density and alcohol content based on near infrared spectroscopy and chemometric tools.

Cachaça is a Brazilian beverage obtained from the fermentation of sugarcane juice (sugarcane spirit) and is considered one of the most consumed alcoholic beverages in the world with a strong economic impact on the northeastern Brazil, more specifically in the Brejo. This microregion produces sugarcane spirits with high quality associated to edaphoclimatic conditions. In this sense, analysis for sample authentication and quality control that uses solvent-free, environmentally friendly, rapid and non-destructive methods is advantageous for cachaça producers and production chain. Thus, in this work commercial cachaça samples using near-infrared spectroscopy (NIRS) were classified based on geographical origin using one-class classification Data-Driven in Soft Independent Modelling of Class Analogy (DD-SIMCA) and One-Class Partial Least Squares (OCPLS) and predicted quality parameters of alcohol content and density based on different chemometric algorithms. A total of 150 sugarcane spirits samples were purchased from the Brazilian retail market being 100 from Brejo and 50 from other regions of Brazil. The one-class chemometric classification model was obtained with DD-SIMCA using the Savitzky-Golay derivative with first derivative, 9-point window and 1st degree polynomial as preprocessing algorithm and sensibility was 96.70 % and specificity 100 % in the spectral range 7,290-11,726 cm-1. Satisfactory results were obtained in the model constructs for density and the chemometric model, iSPA-PLS algorithm with baseline offset as preprocessing, obtained root mean square errors of prediction (RMSEP) of 0.0011 mg/L and Relative Error of Prediction (REP) of 0.12 %. The chemometric model for alcohol content prediction used the iSPA-PLS algorithm with Savitzky-Golay derivative with first derivative, 9-point window and 1st degree polynomial as algorithm as preprocessing obtaining RMSEP and REP of 0.69 and 1.81 % (v/v), respectively. Both models used the spectral range from 7,290-11,726 cm-1. The results reflected the potential of vibrational spectroscopy coupled with chemometrics to build reliable models for identifying the geographical origin of cachaça samples for predicting quality parameters in cachaça samples.

Tea authentication and determination of chemical constituents using digital image-based fingerprint signatures and chemometrics.

Tea (Camellia sinensis) fraud has been frequently identified and involves tampering with the labelling of inferior products or without geographical origin certification and even mixing them with superior quality teas to mask an adulteration. Consequently, economic losses and health damage to consumers are observed. Thus, a Chemometrics-assisted Color Histogram-based Analytical System (CACHAS) was employed a simple, cost-effective, reliable, and green analytical tool to screen the quality of teas. Data-Driven Soft Independent Modeling of Class Analogy was used to authenticate their geographical origin and category simultaneously, recognizing correctly all Argentinean and Sri Lankan black teas and Argentinean green teas. For the determination of moisture, total polyphenols, and caffeine, Partial Least Squares obtained satisfactory predictive abilities, with values of root mean squared error of prediction (RMSEP) of 0.50, 0.788, and 0.25 mg kg-1, rpred of 0.81, 0.902, and 0.81, and relative error of prediction (REP) of 6.38, 9.031, and 14.58%., respectively. CACHAS proved to be a good alternative tool for environmentally-friendly non-destructive chemical analysis.

Geographical origin authentication of southern Brazilian red wines by means of EEM-pH four-way data modelling coupled with one class classification approach.

EEM data recorded at different pH values was exploited by MCR-ALS in order to determine qualitative information about Brazilian red wines. In addition, the geographical traceability of wines produced in the Serra Gaúcha (Rio Grande do Sul) was carried out by DD-SIMCA considering 53 samples from the target class and 20 from other producing regions. The fluorescence signal corresponds to 9 EEMs recorded at different pH (3-11), generating four-way data. By MCR-ALS decomposition, eight factors were retrieved and related to typical chemical compounds found in red wine. In addition, the EEM pH data was used to build a one-class classification model, considering that MCR scores and all samples of the target class were properly recognised as belonging to the target class, with maximal sensitivity equal to 1. Samples of the non-target class were also adequately rejected by the model, and the specificity was found to be 0.97.

Land-Cover Classification Using MaxEnt: Can We Trust in Model Quality Metrics for Estimating Classification Accuracy?

MaxEnt is a popular maximum entropy-based algorithm originally developed for modelling species distribution, but increasingly used for land-cover classification. In this article, we used MaxEnt as a single-class land-cover classification and explored if recommended procedures for generating high-quality species distribution models also apply for generating high-accuracy land-cover classification. We used remote sensing imagery and randomly selected ground-true points for four types of land covers (built, grass, deciduous, evergreen) to generate 1980 classification maps using MaxEnt. We calculated different accuracy discrimination and quality model metrics to determine if these metrics were suitable proxies for estimating the accuracy of land-cover classification outcomes. Correlation analysis between model quality metrics showed consistent patterns for the relationships between metrics, but not for all land-covers. Relationship between model quality metrics and land-cover classification accuracy were land-cover-dependent. While for built cover there was no consistent patterns of correlations for any quality metrics; for grass, evergreen and deciduous, there was a consistent association between quality metrics and classification accuracy. We recommend evaluating the accuracy of land-cover classification results by using proper discrimination accuracy coefficients (e.g., Kappa, Overall Accuracy), and not placing all the confidence in model's quality metrics as a reliable indicator of land-cover classification results.

Investigating the impact of supervoxel segmentation for unsupervised abnormal brain asymmetry detection.

Several brain disorders are associated with abnormal brain asymmetries (asymmetric anomalies). Several computer-based methods aim to detect such anomalies automatically. Recent advances in this area use automatic unsupervised techniques that extract pairs of symmetric supervoxels in the hemispheres, model normal brain asymmetries for each pair from healthy subjects, and treat outliers as anomalies. Yet, there is no deep understanding of the impact of the supervoxel segmentation quality for abnormal asymmetry detection, especially for small anomalies, nor of the added value of using a specialized model for each supervoxel pair instead of a single global appearance model. We aim to answer these questions by a detailed evaluation of different scenarios for supervoxel segmentation and classification for detecting abnormal brain asymmetries. Experimental results on 3D MR-T1 brain images of stroke patients confirm the importance of high-quality supervoxels fit anomalies and the use of a specific classifier for each supervoxel. Next, we present a refinement of the detection method that reduces the number of false-positive supervoxels, thereby making the detection method easier to use for visual inspection and analysis of the found anomalies.

Towards an Efficient One-Class Classifier for Mobile Devices and Wearable Sensors on the Context of Personal Risk Detection.

In this work, we present a first step towards an efficient one-class classifier well suited for mobile devices to be implemented as part of a user application coupled with wearable sensors in the context of personal risk detection. We compared one-class Support Vector Machine (ocSVM) and OCKRA (One-Class K-means with Randomly-projected features Algorithm). Both classifiers were tested using four versions of the publicly available PRIDE (Personal RIsk DEtection) dataset. The first version is the original PRIDE dataset, which is based only on time-domain features. We created a second version that is simply an extension of the original dataset with new attributes in the frequency domain. The other two datasets are a subset of these two versions, after a feature selection procedure based on a correlation matrix analysis followed by a Principal Component Analysis. All experiments were focused on the performance of the classifiers as well as on the execution time during the training and classification processes. Therefore, our goal in this work is twofold: we aim at reducing execution time but at the same time maintaining a good classification performance. Our results show that OCKRA achieved on average, 89.1% of Area Under the Curve (AUC) using the full set of features and 83.7% when trained using a subset of them. Furthermore, regarding execution time, OCKRA reports in the best case a 33.1% gain when using a subset of the feature vector, instead of the full set of features. These results are better than those reported by ocSVM, in which case, even though the AUCs are very close to each other, execution times are significantly higher in all cases, for example, more than 20 h versus less than an hour in the worst-case scenario. Having in mind the trade-off between classification performance and efficiency, our results support the choice of OCKRA as our best candidate so far for a mobile implementation where less processing and memory resources are at hand. OCKRA reports a very encouraging speed-up without sacrificing the classifier performance when using the PRIDE dataset based only on time-domain attributes after a feature selection procedure.

Ensemble of One-Class Classifiers for Personal Risk Detection Based on Wearable Sensor Data.

This study introduces the One-Class K-means with Randomly-projected features Algorithm (OCKRA). OCKRA is an ensemble of one-class classifiers built over multiple projections of a dataset according to random feature subsets. Algorithms found in the literature spread over a wide range of applications where ensembles of one-class classifiers have been satisfactorily applied; however, none is oriented to the area under our study: personal risk detection. OCKRA has been designed with the aim of improving the detection performance in the problem posed by the Personal RIsk DEtection(PRIDE) dataset. PRIDE was built based on 23 test subjects, where the data for each user were captured using a set of sensors embedded in a wearable band. The performance of OCKRA was compared against support vector machine and three versions of the Parzen window classifier. On average, experimental results show that OCKRA outperformed the other classifiers for at least 0.53% of the area under the curve (AUC). In addition, OCKRA achieved an AUC above 90% for more than 57% of the users.