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Machine Learning and SHAP Feature Analysis: Classification Model for Aroma Components in Green Plum Wine.

Xuhui Zhang1, Mengsheng Deng1, Yu Lei1

  • 1School of Food and Liquor Engineering, Sichuan University of Science and Engineering, Yibin 644000, China.

Foods (Basel, Switzerland)
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Summary
This summary is machine-generated.

This study used machine learning to analyze fermented green plum wine flavors. Ethyl octanoate and other esters significantly contribute to the distinct floral and fruity aromas identified.

Keywords:
SHAP analysisgreen plum winemachine learningvolatile substances

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Area of Science:

  • * Food Science and Technology
  • * Analytical Chemistry
  • * Machine Learning Applications

Background:

  • * Fermented fruit wines, like green plum wine, possess complex volatile flavor profiles.
  • * Understanding these profiles is crucial for quality control and product development.
  • * Traditional methods for flavor analysis can be time-consuming and lack comprehensive interpretation.

Purpose of the Study:

  • * To systematically investigate and differentiate volatile flavor profiles in fermented green plum wines.
  • * To evaluate the effectiveness of machine learning (ML) algorithms for flavor profiling and classification.
  • * To identify key volatile compounds contributing to the distinct aromas using SHapley Additive exPlanations (SHAP).

Main Methods:

  • * Integration of Gas Chromatography-Mass Spectrometry (GC-MS) for volatile compound identification.
  • * Sensory evaluation and Odor Activity Value (OAV) analysis to assess aroma impact.
  • * Application of machine learning algorithms (including fuzzy c-means clustering and decision tree models) and SHAP for data interpretation.

Main Results:

  • * Floral and fruity aromas were predominant, with esters like ethyl benzoate and ethyl octanoate being major contributors.
  • * Fuzzy c-means clustering successfully categorized wines into three distinct flavor groups.
  • * The decision tree model achieved high accuracy (95.13%) in flavor classification, with ethyl octanoate, benzyl ethanoate, and 2-phenylethyl ethanoate identified as key influential compounds by SHAP analysis.

Conclusions:

  • * Machine learning provides a powerful and efficient approach for classifying and interpreting complex flavor profiles in fermented beverages.
  • * The study demonstrates the successful application of ML and SHAP in identifying key aroma contributors in green plum wine.
  • * These findings have broad implications for flavor science and the quality assessment of fermented fruit products.