基于树的SIMCA用于处理异质和稀疏的数据
Robert van Vorstenbosch1, Frederik-Jan van Schooten2, Zlatan Mujagic3
1Department of Pharmacology and Toxicology, Maastricht University, the Netherlands; NUTRIM Institute of Nutrition and Translational Research in Metabolism, Maastricht University, the Netherlands; Institute of Risk Assessment Sciences, Population Health Sciences, Utrecht University, the Netherlands.
基于树的方法改善了omics数据的一类分类 (OCC),解决了传统SIMCA的局限性. 无监督随机森林-SIMCA (URF-SIMCA) 为欧米克数据集提供了卓越的性能和可解释性.
科学领域:
- 化学信息学和生物信息学
- 在Omics中的机器学习数据分析数据分析
背景情况:
- 一个类分类 (OCC) 方法,如SIMCA面临的挑战omics数据,包括高维度,稀疏性和非线性.
- 这些问题往往导致膨胀的决策边界和错误的阳性在识别目标阶级.
- 基于树的技术为这些数据特征提供了固有的稳定性.
研究的目的:
- 探索和评估SIMCA的基于树的变体,用于OMIC数据分析.
- 将这些新方法的性能与传统的OCC策略进行比较.
- 为了提高omics数据模型的可解释性.
主要方法:
- 开发了非线性SIMCA变体,使用来自无监督随机森林 (URF-SIMCA) 和隔离森林 (IF-SIMCA) 的样本近距离.
- 将URF-SIMCA和IF-SIMCA与传统的SIMCA,一级SVM和隔离森林进行比较.
- 利用了五个临床奥米克数据集和葡萄酒数据集进行经验验证.
主要成果:
- 在经过测试的欧米克数据集中,URF-SIMCA表现出卓越的性能.
- 伪采样原则使特征解释能够进行类分离.
- 在得分和直角距离空间中的特征轨迹增强了模型的解释性.
结论:
- URF-SIMCA为SIMCA提供了一个可访问的扩展,有效地减少了目标类差异,以改善分离.
- 虽然特征解释略有减少,伪采样原则提供了一个可行的解决方案.
- 该方法提高了omics数据分析中的建模性能.
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