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在统计框架下,对奶牛群改良检测中常规收集的牛奶中红外光谱进行每日标准化。

Daily standardization of routinely collected milk mid-infrared spectra from dairy herd improvement testing in a statistical framework.

作者信息

Mensching A, Braunleder J, Bohlsen E, Schierenbeck S, Reents R

机构信息

IT Solutions for Animal Production (vit), IT Solutions for Animal Production, 27283 Verden, Germany.

IT Solutions for Animal Production (vit), IT Solutions for Animal Production, 27283 Verden, Germany.

出版信息

J Dairy Sci. 2025 Jul;108(7):7202-7223. doi: 10.3168/jds.2024-25482. Epub 2025 Apr 28.

DOI:10.3168/jds.2024-25482
PMID:40306419
Abstract

Supported by analyses of standard milk samples with known reference values, mid-infrared (MIR) spectroscopic analysis of milk is characterized by high accuracy and repeatability, particularly for the main milk components. In laboratory routines, this is assisted by slope-intercept correction procedures, where post-measurement corrections of the predictions of regular samples are performed. Independently of this, deviations and drifts can be observed in MIR spectra, both across instruments and over time. The aim of this study was to demonstrate an innovative approach for the standardization of MIR spectra on a daily level using only statistical tools with an existing complex historical dataset. In the underlying procedure, a framework of regression models considering results of laboratory analyses of milk and information on the animal, such as DIM and parity, are used to estimate daily-, instrument- and wavenumber-wise standardization coefficients based on routine DHI data. Data from the first half of 2022 were provided by the Landeskontrollverband Niedersachsen e.V. (Leer, Germany) and comprised 2.3 million spectra from 5 FOSS (Hillerød, Denmark) instruments as well as the corresponding DHI data (dataset I). Additionally, multiple analyses of 5,335 DHI samples on 3 instruments were carried out (dataset II). Furthermore, 60,961 analyses of standard milks were available (dataset III). Dataset I was used to estimate the standardization coefficients. To investigate the effects of standardization on model calibration, dataset II was used to build fat prediction models using both raw and standardized spectra. In the statistical analysis, dataset II was used for principal component analyses and an inter-instrument comparison of the spectra as well as for comparison of fat predictability with and without standardization. Dataset III was used to compare fat reference values of standard milks with MIR-based laboratory results and own predictions using both raw and standardized spectra. In dataset II, the developed standardization led to a harmonization of spectra and predictions and corrected both general and temporary instrument effects. During fat model calibration, the predictability and model transferability across instruments were improved. The root mean squared error (RMSE) of a forward-in-time validation decreased from 0.0398 with raw to 0.0246% fat with standardized spectra. When comparing the reference values of standard milks with predictions based on raw and standardized spectra of dataset III, the RMSE was reduced from 0.0406% to 0.0195% fat due to standardization, even with transferring the models to external data of other instruments. This study highlights the need for frequent standardization both across and within instruments over time. To handle this, the proposed procedure featuring a daily standardization seems to be a promising approach. Under the given laboratory conditions and farm structures (i.e., DHI data from Holstein cows and spectra from FOSS Instruments), this work can be regarded as a proof of concept. The influence of standardization was demonstrated both at the level of the spectra and at the level of the predictions using the example of milk fat. A big advantage is that it is a software-based solution that can be easily modified and scaled in terms of its application.

摘要

在对具有已知参考值的标准牛奶样本进行分析的支持下,牛奶的中红外(MIR)光谱分析具有高精度和可重复性的特点,特别是对于主要的牛奶成分。在实验室常规操作中,这通过斜率截距校正程序来辅助,即对常规样本的预测进行测量后校正。除此之外,在MIR光谱中,无论是跨仪器还是随时间推移,都能观察到偏差和漂移。本研究的目的是展示一种创新方法,仅使用统计工具和现有的复杂历史数据集,在日常水平上对MIR光谱进行标准化。在基础程序中,一个考虑牛奶实验室分析结果以及动物信息(如泌乳天数和胎次)的回归模型框架,用于根据常规DHI数据估计每日、仪器和波数方面的标准化系数。2022年上半年的数据由下萨克森州州立控制协会(德国莱尔)提供,包括来自5台丹麦希勒勒德的福斯仪器的230万个光谱以及相应的DHI数据(数据集I)。此外,还对3台仪器上的5335个DHI样本进行了多次分析(数据集II)。此外,还有60961次标准牛奶分析数据(数据集III)。数据集I用于估计标准化系数。为了研究标准化对模型校准的影响,数据集II用于使用原始光谱和标准化光谱构建脂肪预测模型。在统计分析中,数据集II用于主成分分析和光谱的仪器间比较,以及标准化和未标准化情况下脂肪预测能力的比较。数据集III用于比较标准牛奶的脂肪参考值与基于MIR的实验室结果以及使用原始光谱和标准化光谱的自身预测。在数据集II中,所开发的标准化导致了光谱和预测的协调,并校正了一般和临时的仪器效应。在脂肪模型校准过程中,提高了跨仪器的预测能力和模型可转移性。向前验证的均方根误差(RMSE)从使用原始光谱时的0.0398降至使用标准化光谱时的0.0246%脂肪。当将数据集III中标准牛奶的参考值与基于原始光谱和标准化光谱的预测进行比较时,由于标准化,RMSE从0.0406%脂肪降至0.0195%脂肪,即使将模型转移到其他仪器的外部数据也是如此。本研究强调了随着时间推移,跨仪器和仪器内部频繁进行标准化的必要性。为了应对这一问题,所提出的具有每日标准化功能的程序似乎是一种很有前景的方法。在给定的实验室条件和农场结构下(即来自荷斯坦奶牛的DHI数据和福斯仪器的光谱),这项工作可被视为一个概念验证。以乳脂肪为例,在光谱层面和预测层面都证明了标准化的影响。一个很大的优势是,它是一个基于软件的解决方案,在应用方面可以很容易地进行修改和扩展。

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