Scientists from the Department of Chemistry, Tomislav Jednačak, Sanda Rončević, Ivan Nemet, Ines Primožič, Tomica Hrenar, and Predrag Novak, in collaboration with scientists Ana-Marija Jagatić Korenika, Ana Jeromel, and Ivana Tomaz, have published a scientific paper titled "Deep Reinforcement Learning Classification of Sparkling Wines Based on ICP-MS and DOSY NMR Spectra" in the prestigious journal Food Chemistry: X (IF = 6.1).
An approach that combines NMR spectroscopy and inductively coupled plasma mass spectrometry (ICP-MS) and advanced tensor decomposition algorithms with state-of-the-art deep learning procedures was applied for the classification of Croatian continental sparkling wines by their geographical origin. It has been demonstrated that complex high-dimensional NMR or ICP-MS data cannot be classified by higher-order tensor decomposition alone. Extension of the procedure by deep reinforcement learning resulted in an exquisite neural network predictive model for the classification of sparkling wines according to their geographical origin. A network trained on half of the sample set was able to classify even 94% of all samples. The model can particularly be useful in cases where the number of samples is limited and when simpler statistical methods fail to produce reliable data. The model can further be exploited for the identification and differentiation of sparkling wines including a high potential for authenticity or quality control.
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