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Selection of variables based on most stable normalised partial least squares regression coefficients in an ensemble Monte Carlo procedure

机译:整体蒙特卡洛方法中基于最稳定的归一化偏最小二乘回归系数的变量选择

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摘要

A modification of ensemble Monte Carlo uninformative variable elimination (EMCUVE) is proposed, which does not involve the use of random variables, with the aim of improving the performance of partial least squares (PLS) regression models, increasing the consistency of results and reducing processing time by selecting the most informative variables in a spectral dataset. The proposed method (ensemble Monte Carlo variable selection - EMCVS) and the robust version (REMCVS) were compared to PLS models and with the existing EMCUVE method using three near infrared (NIR) datasets, i.e. prediction of n-butanol in a five-solvent mixture, moisture in corn and glucosinolates in rapeseed. The proposed methods were more consistent, produced models with better predictive accuracy (lower root mean squared error of prediction) and required less computational time than the conventional EMCUVE method on these datasets. In this application, the proposed method was applied to PLS regression coefficients but it may, in principle, be used on any regression vector.
机译:提出了整体蒙特卡洛非信息变量消除(EMCUVE)的修改,该修改不涉及使用随机变量,目的是提高偏最小二乘(PLS)回归模型的性能,提高结果的一致性并减少处理通过在光谱数据集中选择信息量最大的变量来确定时间。使用三种近红外(NIR)数据集,将提出的方法(整体蒙特卡罗变量选择-EMCVS)和鲁棒版本(REMCVS)与PLS模型以及现有的EMCUVE方法进行了比较,即预测五溶剂中的正丁醇混合物,玉米中的水分和油菜籽中的芥子油苷。在这些数据集上,与传统的EMCUVE方法相比,所提出的方法更加一致,生成的模型具有更好的预测精度(较低的预测均方根误差),并且所需的计算时间更少。在本申请中,提出的方法已应用于PLS回归系数,但原则上可以在任何回归向量上使用。

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