Support vector regression for prediction of stable isotopes and trace elements using hyperspectral imaging on coffee for origin verification

The potential of using rapid and non-destructive near-infrared - hyperspectral imaging (HSI-NIR) for the pre-diction of an integrated stable isotope and multi-element dataset was explored for the first time with the help of support vector regression. Speciality green coffee beans sourced from three continents, eight countries, and 22 regions were analysed using a push-broom HSI-NIR (700-1700 nm), together with five isotope ratios (delta 13C, delta 15N, delta 18O, delta 2H, and delta 34S) and 41 trace elements. Support vector regression with the radial basis function kernel was conducted using X as the HSI-NIR data and Y as the geochemistry markers. Model performance was evaluated using root mean squared error, coefficient of determination, and mean absolute error. Three isotope ratios (delta 18O, delta 2H, and delta 34S) and eight elements (Zn, Mn, Ni, Mo, Cs, Co, Cd, and La) had an R2predicted 0.70 - 0.99 across all origin scales (continent, country, region). All five isotope ratios were well predicted at the country and regional levels. The wavelength regions contributing the most towards each prediction model were highlighted, including a discussion of the correlations across all geochemical parameters. This study demonstrates the feasibility of using HSI-NIR as a rapid and non-destructive method to estimate traditional geochemistry parameters, some of which are origin-discriminating variables related to altitude, temperature, and rainfall differences across origins.