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Liquor has a complex system with high dimensional components. The trace components in liquor are varied and have low content and complex coordination relationships. This study aimed to solve the problem of reliance on smell and taste. Based on the characteristics of near-infrared spectrum response to hydrogen-containing groups, qualitative analysis was carried out in combination with machine learning technology. Firstly, an iterative adaptive weighted penalized least squares algorithm with spectral peak discrimination was used for baseline correction to effectively retain useful information in the feature absorption peaks. Then, the convolution smoothing algorithm was used to filter the noise, and the spectral curve smoothness was adjusted using the convolution window width. The near-infrared spectrum has a high dimension. Monte Carlo random sampling combined with an improved competitive adaptive reweighting method was used to evaluate the importance of spectral sampling points. According to the importance coefficient, the dimension of the spectral data set was optimized by using an exponential attenuation function through an iterative operation, and the data set with the smallest root-mean-square error was taken as the characteristic spectrum. The nonlinear separability of characteristic spectra was further improved by kernel principal component analysis. Finally, a liquor quality recognition model based on principal component analysis was established by using the hierarchical multiclass support vector machine method. Our key findings revealed that the prediction accuracy of the model reached 96.87% when the number of principal components was 5–12, with more than 95% of the characteristic information retained. These results demonstrated that this rapid nondestructive testing method resolved the challenge posed by relying on subjective sensory evaluation for liquor analysis. The findings provide a reliable analytical approach for studying substances with high-dimensional component characteristics.
Zhang et al. (Wed,) studied this question.