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引用次数: 1
摘要
本文提出了蒙特卡罗交叉验证叠加回归(Monte Carlo Cross Validation Stacked Regression, MCCVSR)方法来实现多变量校准中光谱区间选择的自动优化。虽然MCCVSR在正常条件下性能良好,但为了更广泛的应用,仍有必要对其进行改进。根据众所周知的“垃圾进,垃圾出(GIGO)”原理,MCCVSR作为一种精确的集成方法,可能会受到外围和非常差的子模型的影响。本文设计了一个统计检验来排除集成学习过程中的破坏性子模型,从而使组合过程更加可靠。虽然该方法是完全自动化的,但它可以根据所分析数据的性质进行调整,包括训练样本的大小、光谱的分辨率和子模型的定量势。通过对实际标准数据的研究,验证了子模型细化的有效性。
In our recent work, Monte Carlo Cross Validation Stacked Regression (MCCVSR) is proposed to achieve automatic optimization of spectral interval selection in multivariate calibration. Though MCCVSR performs well in normal conditions, it is still necessary to improve it for more general applications. According to the well-known principle of "garbage in, garbage out (GIGO)", as a precise ensemble method, MCCVSR might be influenced by outlying and very bad submodels. In this paper, a statistical test is designed to exclude the ruinous submodels from the ensemble learning process, therefore, the combination process becomes more reliable. Though completely automated, the proposed method is adjustable according to the nature of the data analyzed, including the size of training samples, resolution of spectra and quantitative potentials of the submodels. The effectiveness of the submodel refining is demonstrated by the investigation of a real standard data.