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- A TSS classification study of 'Rocha' pear (Pyrus communis L.) based on non-invasive visible/near infra-red reflectance spectraPublication . Bexiga, Florentino; Rodrigues, Daniela; Guerra, Rui Manuel Farinha das Neves; Brazio, António; Balegas, Tiago; Cavaco, A. M.; Antunes, Maria Dulce; Valente de Oliveira, JOSÉThe study focuses on the application of machine learning techniques for classifying the internal quality of 'Rocha' Pear (Pyrus communis L.), i.e., the total soluble solids (TSS), using the non-invasive technique of visible/near infra-red reflectance spectroscopy. Six representative classifiers were evaluated under realistic experimental conditions. The classifiers include representatives of classic parametric (logistic and multiple linear regression), non-parametric distance based methods (K-nearest neighbors), correlation-based (partial least squares), ensemble methods (random forests) and maximum margin classifiers (support vector machines). The classifiers were assessed against metrics such as accuracy, Cohen's Kappa, F-Measure, and the area under the precision recall curve (AUC) in a 10 x 10-fold cross-validation plan. For result analysis non-parametric statistical test of hypotheses were employed. A total of 4880 fruit samples from different origins, maturation states, and harvest years were considered. The main conclusion is that the maximum margin classifier outperforms all the others studied ones, including the commonly used partial least squares. The conclusion holds for both a reflectance spectrum with 1024 features and for a 128 subsample of these. An estimate of the out-of-sample performance for the best classifier is also provided.
- Ripening assessment of ‘Ortanique’ (Citrus reticulata Blanco x Citrus sinensis (L) Osbeck) on tree by SW-NIR reflectance spectroscopy-based calibration modelsPublication . Pires, Rosa; Guerra, Rui Manuel Farinha das Neves; Cruz, Sandra; Antunes, MDC; Brazio, António; Afonso, Andreia M.; Daniel, Mariana; Panagopoulos, Thomas; Gonçalves, Isabel; Cavaco, Ana M.The aim of this study was the non-destructive assessment of ‘Ortanique’ (Citrus reticulata Blanco x Citrus sinensis (L) Osbeck) ripening, based on the prediction of internal quality attributes (IQA) by short-wave near-infrared reflectance spectroscopy (SW-NIRS) calibration models. Spectra from fruit of 50 trees located in two different orchards, were acquired on tree using a customized portable visible near-infrared (vis-NIR) system. Partial least squares (PLS) was used to build the various IQA calibration models. The models were tested through internal validation (IV) and external validation (EV). Generally, the IV results were always superior to those of EV: regarding IV, a high regression coefficient (R2) and low root mean square error of prediction (RMSEP) were achieved, revealing a good predictive performance for juice pH (R2 = 0.80; RMSEP = 0.10; SDR = 2.23), soluble solids content (SSC) (R2 = 0.79; RMSEP = 0.75 %; SDR = 2.27), titratable acidity (TA) (R2 = 0.73; RMSEP = 0.24 % citric acid; SDR = 1.94) and the maturation index (MI) (R2 = 0.80; RMSEP = 1.38; SDR = 2.2). The best EV predictions were obtained for TA (R2 = 0.69; RMSEP = 0.38 % citric acid; SDR = 1.24), and MI (R2 = 0.69; RMSEP = 2.07; SDR = 1.49). Calibration models for glucose, fructose and sucrose showed medium-coarse predictions for both validation strategies. A detailed investigation of MI models was performed, to understand the causes of their poor EV results. In the context of EV, model updating strategies were explored by using some validation samples to improve the calibration model. The methods of bias correction and spiking were tested, showing a clear improvement in the predictions.
- Feature discovery in NIR spectroscopy based Rocha pear classificationPublication . Daniel, Mariana; Guerra, Rui Manuel Farinha das Neves; Brazio, António; Rodrigues, Daniela; M. Cavaco, A.; Antunes, Maria Dulce; Valente de Oliveira, JOSÉNon-invasive techniques for automatic fruit classification are gaining importance in the global agro-industry as they allow for optimizing harvesting, storage, management, and distribution decisions. Visible, near infra-red (NIR) diffuse reflectance spectroscopy is one of the most employed techniques in such fruit classification. Typically, after the acquisition of a fruit reflectance spectrum the wavelength domain signal is preprocessed and a classifier is designed. Up to now, little or no work considered the problem of feature generation and selection of the reflectance spectrum. This work aims at filling this gap, by exploiting a feature engineering phase before the classifier. The usual approach where the classifier is fed directly with the reflectances measured at each wavelength is contrasted with the proposed division of the spectra into bands and their characterization in wavelength, frequency, and wavelength-frequency domains. Feature selection is also applied for optimizing efficiency, predictive accuracy, and for mitigating over-training. A total of 3050 Rocha pear samples from different origins and harvest years are considered. Statistical tests of hypotheses on classification results of soluble solids content - a predictor of both fruit sweetness and ripeness - show that the proposed preliminary phase of feature engineering outperforms the usual direct approach both in terms of accuracy and in the number of necessary features. Moreover, the method allows for the identification of features that are physical chemistry meaningful.