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KERNEL-BASED METHOD AND APPARATUS FOR CLASSIFYING MATERIALS OR CHEMICALS AND FOR QUANTIFYING THE PROPERTIES OF MATERIALS OR CHEMICALS IN MIXTURES USING SPECTROSCOPIC DATA
KERNEL-BASED METHOD AND APPARATUS FOR CLASSIFYING MATERIALS OR CHEMICALS AND FOR QUANTIFYING THE PROPERTIES OF MATERIALS OR CHEMICALS IN MIXTURES USING SPECTROSCOPIC DATA
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机译:基于核的使用光谱数据对材料或化学物质进行分类并量化混合物中材料或化学物质的特性的方法和设备
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摘要
A kernel-based method determines the similarity of a first spectrum and a second spectrum. Each spectrum represents a result of spectral analysis of a material or chemical and comprises a set of spectral attributes distributed across a spectral range. The method calculates a kernel function which makes use of the shape of the spectral response surrounding a spectral point. This is achieved by comparing the value of an spectral attribute in a spectrum and each of a set of neighbouring spectral attributes within a window around the spectral attribute. Weighting values can be applied to calculations when deriving the kernel function. The weighting values can assign different degrees of importance to different regions of the spectrum. The method can be used to: classify unknown spectra; predict the concentration of an analyte within a mixture; database searching for the closest match using a kernel-derived distance metric; visualisation of high-dimensional spectral data in two or three dimensions.
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