Abstract
The application of chemometrics in food science has revolutionized the field by allowing the creation of models able to automate a broad range of applications such as food authenticity and food fraud detection. In order to create effective and general models able to address the complexity of real life problems, a vast amount of varied training samples are required. Training dataset has to cover all possible types of sample and instrument variability. However, acquiring a varied amount of samples is a time consuming and costly process, in which collecting samples representative of the real world variation is not always possible, specially in some application fields. To address this problem, a novel framework for the application of data augmentation techniques to spectroscopic data has been designed and implemented. This is a carefully designed pipeline of four complementary and independent blocks which can be finely tuned depending on the desired variance for enhancing model's robustness: a) blending spectra, b) changing baseline, c) shifting along x axis, and d) adding random noise.
This novel data augmentation solution has been tested in order to obtain highly efficient generalised classification model based on spectroscopic data. Fourier transform mid-infrared (FT-IR) spectroscopic data of eleven pure vegetable oils (106 admixtures) for the rapid identification of vegetable oil species in mixtures of oils have been used as a case study to demonstrate the influence of this pioneering approach in chemometrics, obtaining a 10% improvement in classification which is crucial in some applications of food adulteration.
This novel data augmentation solution has been tested in order to obtain highly efficient generalised classification model based on spectroscopic data. Fourier transform mid-infrared (FT-IR) spectroscopic data of eleven pure vegetable oils (106 admixtures) for the rapid identification of vegetable oil species in mixtures of oils have been used as a case study to demonstrate the influence of this pioneering approach in chemometrics, obtaining a 10% improvement in classification which is crucial in some applications of food adulteration.
Original language | English |
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Publication status | Published - 20 Jun 2016 |
Event | Chemometrics in Analytical Chemistry - Barcelona, Spain Duration: 06 Jun 2016 → 10 Jun 2016 Conference number: XVI http://www.cacbarcelona.com/index.php |
Conference
Conference | Chemometrics in Analytical Chemistry |
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Abbreviated title | CAC 2016 |
Country/Territory | Spain |
City | Barcelona |
Period | 06/06/2016 → 10/06/2016 |
Internet address |