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Robust SVM-Based Biomarker Selection with Noisy Mass Spectrometric Proteomic Data

机译:带有嘈杂质谱蛋白质组学数据的基于SVM的强大生物标志物选择

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摘要

Computational analysis of mass spectrometric (MS) pro-teomic data from sera is of potential relevance for diagnosis, prognosis, choice of therapy, and study of disease activity. To this aim, feature selection techniques based on machine learning can be applied for detecting potential biomarkes and biomaker patterns. A key issue concerns the interpretability and robustness of the output results given by such techniques. In this paper we propose a robust method for feature selection with MS proteomic data. The method consists of the sequentail application of a filter feature selection algorithm, RELIEF, followed by multiple runs of a wrapper feature selection technique based on support vector machines (SVM), where each run is obtained by changing the class label of one support vector. Frequencies of features selected over the runs are used to identify features which are robust with respect to perturbations of the data. This method is tested on a dataset produced by a specific MS technique, called MALDI-TOF MS. Two classes have been artificially generated by spiking. Moreover, the samples have been collected at different storage durations. Leave-one-out cross validation (LOOCV) applied to the resulting dataset, indicates that the proposed feature selection method is capable of identifying highly discriminatory proteomic patterns.
机译:来自血清的质谱(MS)蛋白质组数据的计算分析与诊断,预后,治疗选择和疾病活动研究具有潜在的相关性。为此,可以将基于机器学习的特征选择技术应用于检测潜在的生物标记和生物制造商模式。一个关键问题涉及这种技术给出的输出结果的可解释性和鲁棒性。在本文中,我们提出了一种使用MS蛋白质组数据进行特征选择的可靠方法。该方法包括依次应用过滤器特征选择算法RELIEF,然后多次运行基于支持向量机(SVM)的包装器特征选择技术,其中每次运行都是通过更改一个支持向量的类标签来获得的。在运行中选择的特征的频率用于识别相对于数据扰动是鲁棒的特征。在由称为MALDI-TOF MS的特定MS技术产生的数据集上对该方法进行了测试。尖峰已人工生成了两个类。而且,样品是在不同的储存时间下收集的。将留一法交叉验证(LOOCV)应用于结果数据集,表明所提出的特征选择方法能够识别高度歧视的蛋白质组学模式。

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