Sample Consensus Model and Unsupervised Variable Consensus Model for Improving the Accuracy of a Calibration Model

Abstract

In the quantitative analysis of spectral data, small sample size and high dimensionality of spectral variables often lead to poor accuracy of a calibration model. We proposed two methods, namely sample consensus and unsupervised variable consensus models, in order to solve the problem of poor accuracy. Three public near-infrared (NIR) or infrared (IR) spectroscopy data from corn, wine, and soil were used to build the partial least squares regression (PLSR) model. Then, Monte Carlo sampling and unsupervised variable clustering methods of a self-organizing map were coupled with the consensus modeling strategy to establish the multiple sub-models. Finally, sample consensus and unsupervised variable consensus models were obtained by assigning the weights to each PLSR sub-model. The calculated results show that both sample consensus and unsupervised variable consensus models can significantly improve the accuracy of the calibration model compared to the single PLSR model. The effectiveness of these two methods points out a new approach to achieve a further accurate result, which can take full advantage of the sample information and valid variable information.