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Quantitative measurements of anaerobic digestion process parameters using near infrared spectroscopy and local calibration models

机译:使用近红外光谱和局部校准模型对厌氧消化过程参数进行定量测量

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摘要

The performance of local calibration models for quantitative measurements of ammonium and acetate on samples from an anaerobic digestion process was examined. The local calibration methods used were locally weighted regression (LWR) and multi-layer partial least squares (ML-PLS) regression. The results of these two methods were compared to each other and to the results from the global partial least squares (PLS) model regression as well. For ammonium, both the local methods performed excellently in comparison with global PLS models. However, the results from the 150 LWR models regressed for ammonium also showed that the accuracy can be highly dependent on the different combination alternatives for model parameter settings and pre-processing alternatives. For this reason, a number of distance measures were evaluated as local subset selection methods in ML-PLS. The benefits of an optimised layer structure and the iterative approach in ML-PLS were also evaluated for ammonium. This showed that some benefits can be obtained by optimising the layer structure, at least in the sense that the number of layers can be reduced, and that there can be a significant advantage in using an iterative approach in the selection of the local subset of calibration data. The local calibration methods were also evaluated for acetate but, in this case, the benefits compared to global PLS calibration models were fairly insignificant with ML-PLS and none at all with LWR.
机译:检查了用于厌氧消化过程中样品中铵和乙酸盐定量测量的本地校准模型的性能。使用的局部校准方法是局部加权回归(LWR)和多层偏最小二乘(ML-PLS)回归。将这两种方法的结果相互比较,并与全局偏最小二乘(PLS)模型回归的结果进行比较。对于铵,与全局PLS模型相比,两种局部方法均表现出色。但是,从150个LWR模型的铵盐回归结果还表明,准确性可能高度依赖于模型参数设置和预处理替代方案的不同组合替代方案。因此,在ML-PLS中,许多距离度量被评估为局部子集选择方法。还针对铵评估了ML-PLS中优化的层结构和迭代方法的好处。这表明,至少在可以减少层数的意义上,通过优化层结构可以获得一些好处,并且在选择局部校准子集时使用迭代方法可能具有显着的优势。数据。还评估了醋酸盐的本地校准方法,但在这种情况下,与ML-PLS相比,与全局PLS校准模型相比,其好处是微不足道的,而对于LWR,则根本没有。

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