Deep reinforcement learning classification of sparkling wines based on ICP-MS and DOSY NMR spectra

被引:3
作者
Korenika, Ana-Marija Jagatic [1 ]
Jeromel, Ana [1 ]
Tomaz, Ivana [1 ]
Jednacak, Tomislav [2 ]
Roncevic, Sanda [2 ]
Nemet, Ivan [2 ]
Primozic, Ines [2 ]
Hrenar, Tomica [2 ]
Novak, Predrag [2 ]
机构
[1] Univ Zagreb, Fac Agr, Dept Viticulture & Enol, Svetosimunska cesta 25, HR-10000 Zagreb, Croatia
[2] Univ Zagreb, Fac Sci, Dept Chem, Horvatovac 102a, HR-10000 Zagreb, Croatia
关键词
Croatian sparkling wines; Geographical origin; Deep learning; DOSY NMR; ICP-MS; Predictive model; CHEMOMETRIC ANALYSIS; GEOGRAPHICAL ORIGIN; SPECTROSCOPY; H-1-NMR; OIL;
D O I
10.1016/j.fochx.2024.101162
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
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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页数:8
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