Investigating the use of gradient boosting machine, random forest and their ensemble to predict skin flavonoid content from berry physical-mechanical characteristics in wine grapes

Flavonoids are a class of bioactive compounds largely represented in grapevine and wine. They also affect the sensory quality of fruits and vegetables, and derived products. Methods available for flavonoid measurement are time-consuming, thus a rapid and cost-effective determination of these compounds is an important research objective. This work tests if applying machine learning techniques to texture analysis data allows to reach good performances for flavonoid estimation in grape berries. Whole berry and skin texture analysis was applied to berries from 22 red wine grape cultivars and linked to the total flavonoid content. Three machine-learning techniques (regression tree, random forest and gradient boosting machine) were then applied. Models reached a high accuracy both in the external and internal validation. The R-2 ranged from 0.75 to 0.85 for the external validation and from 0.65 to 0.75 for the internal validation, while RMSE (Root Mean Square Error) went from 0.95 mg g(-1) to 0.7 mg g(-1) in the external validation and from 1.3 mg g(-1) to 1.1 mg g(-1) in the internal validation. (C) 2015 Elsevier B.V. All rights reserved.