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Deep Learning Domain Adaptation to Understand Physico-Chemical Processes from Fluorescence Spectroscopy Small Datasets: Application to Ageing of Olive Oil

Michelucci, Umberto, Venturini, Francesca

arXiv.org Artificial Intelligence

Fluorescence spectroscopy is a fundamental tool in life sciences and chemistry, widely used for applications such as environmental monitoring, food quality control, and biomedical diagnostics. However, analysis of spectroscopic data with deep learning, in particular of fluorescence excitation-emission matrices (EEMs), presents significant challenges due to the typically small and sparse datasets available. Furthermore, the analysis of EEMs is difficult due to their high dimensionality and overlapping spectral features. This study proposes a new approach that exploits domain adaptation with pretrained vision models, alongside a novel interpretability algorithm to address these challenges. Thanks to specialised feature engineering of the neural networks described in this work, we are now able to provide deeper insights into the physico-chemical processes underlying the data. The proposed approach is demonstrated through the analysis of the oxidation process in extra virgin olive oil (EVOO) during ageing, showing its effectiveness in predicting quality indicators and identifying the spectral bands, and thus the molecules involved in the process. This work describes a significantly innovative approach in the use of deep learning for spectroscopy, transforming it from a black box into a tool for understanding complex biological and chemical processes.


Shedding Light on the Ageing of Extra Virgin Olive Oil: Probing the Impact of Temperature with Fluorescence Spectroscopy and Machine Learning Techniques

Venturini, Francesca, Fluri, Silvan, Mejari, Manas, Baumgartner, Michael, Piga, Dario, Michelucci, Umberto

arXiv.org Artificial Intelligence

This work systematically investigates the oxidation of extra virgin olive oil (EVOO) under accelerated storage conditions with UV absorption and total fluorescence spectroscopy. With the large amount of data collected, it proposes a method to monitor the oil's quality based on machine learning applied to highly-aggregated data. EVOO is a high-quality vegetable oil that has earned worldwide reputation for its numerous health benefits and excellent taste. Despite its outstanding quality, EVOO degrades over time owing to oxidation, which can affect both its health qualities and flavour. Therefore, it is highly relevant to quantify the effects of oxidation on EVOO and develop methods to assess it that can be easily implemented under field conditions, rather than in specialized laboratories. The following study demonstrates that fluorescence spectroscopy has the capability to monitor the effect of oxidation and assess the quality of EVOO, even when the data are highly aggregated. It shows that complex laboratory equipment is not necessary to exploit fluorescence spectroscopy using the proposed method and that cost-effective solutions, which can be used in-field by non-scientists, could provide an easily-accessible assessment of the quality of EVOO.


Dataset of Fluorescence Spectra and Chemical Parameters of Olive Oils

Venturini, Francesca, Sperti, Michela, Michelucci, Umberto, Gucciardi, Arnaud, Martos, Vanessa M., Deriu, Marco A.

arXiv.org Artificial Intelligence

This dataset encompasses fluorescence spectra and chemical parameters of 24 olive oil samples from the 2019-2020 harvest provided by the producer Conde de Benalua, Granada, Spain. The oils are characterized by different qualities: 10 extra virgin olive oil (EVOO), 8 virgin olive oil (VOO), and 6 lampante olive oil (LOO) samples. For each sample, the dataset includes fluorescence spectra obtained with two excitation wavelengths, oil quality, and five chemical parameters necessary for the quality assessment of olive oil. The fluorescence spectra were obtained by exciting the samples at 365 nm and 395 nm under identical conditions. The dataset includes the values of the following chemical parameters for each olive oil sample: acidity, peroxide value, K270, K232, ethyl esters, and the quality of the samples (EVOO, VOO, or LOO). The dataset offers a unique possibility for researchers in food technology to develop machine learning models based on fluorescence data for the quality assessment of olive oil due to the availability of both spectroscopic and chemical data. The dataset can be used, for example, to predict one or multiple chemical parameters or to classify samples based on their quality from fluorescence spectra.


Exploration of Spanish Olive Oil Quality with a Miniaturized Low-Cost Fluorescence Sensor and Machine Learning Techniques

Venturini, Francesca, Sperti, Michela, Michelucci, Umberto, Herzig, Ivo, Baumgartner, Michael, Caballero, Josep Palau, Jimenez, Arturo, Deriu, and Marco Agostino

arXiv.org Artificial Intelligence

Extra virgin olive oil (EVOO) is the highest quality of olive oil and is characterized by highly beneficial nutritional properties. The large increase in both consumption and fraud, for example through adulteration, creates new challenges and an increasing demand for developing new quality assessment methodologies that are easier and cheaper to perform. As of today, the determination of olive oil quality is performed by producers through chemical analysis and organoleptic evaluation. The chemical analysis requires the advanced equipment and chemical knowledge of certified laboratories, and has therefore a limited accessibility. In this work a minimalist, portable and low-cost sensor is presented, which can perform olive oil quality assessment using fluorescence spectroscopy. The potential of the proposed technology is explored by analyzing several olive oils of different quality levels, EVOO, virgin olive oil (VOO), and lampante olive oil (LOO). The spectral data were analyzed using a large number of machine learning methods, including artificial neural networks. The analysis performed in this work demonstrates the possibility of performing classification of olive oil in the three mentioned classes with an accuracy of 100$\%$. These results confirm that this minimalist low-cost sensor has the potential of substituting expensive and complex chemical analysis.


What Are the Biggest Challenges Technology Must Overcome in the Next 10 Years?

#artificialintelligence

Technology's fine--I definitely like texting, and some of the shows on Netflix are tolerable--but the field's got some serious kinks to work out. Some of these are hardware-related: when, for instance, will quantum computing become practical? Others are of more immediate concern. Is there some way to stop latently homicidal weirdos from getting radicalized online? Can social networks be tweaked in such a way as to not nearly guarantee the outbreak of the second Civil War?