评估影响机器学习分类器在生物学中的准确性,可解释性和可重现性的因素,以实现标准化
Kaitlyn M Martinez1, Kristen Wilding2, Trent R Llewellyn3
1A-1 Information Systems and Modeling, Los Alamos National Laboratory, Los Alamos, NM, United States of America.
Scientific reports
|May 13, 2025
概括
机器学习在生物学面临的挑战是由于数据的复杂性. 仔细考虑数据类型,策划和算法对于可靠的生物见解至关重要.
科学领域:
- 生物信息学是一种生物信息学.
- 计算生物学 计算生物学
- 机器学习在生命科学中的应用
背景情况:
- 生物数据的复杂性和可变性需要先进的分析方法,如机器学习.
- 然而,这些复杂性挑战了生物研究中机器学习结果的可靠性,可重现性和可解释性.
研究的目的:
- 系统地探索应用机器学习 (ML) 来预测和理解生物过程的挑战.
- 为了评估不同因素对ML分类器性能在一个良好的特征化体外系统的影响.
主要方法:
- 评估了影响ML分类器的三个关键因素:生物化学签名类型 (转录与蛋白质),数据策划方法 (预处理和后处理) 和分类器选择.
- 使用包括准确性,可概括性,可解释性和可重现性在内的指标来评估性能.
主要成果:
- 生物化学特征的选择,数据策划策略和ML分类器显著调节了结果,即使是在简化生物模型中.
- 这些变化会影响ML分析结果的可靠性和可解释性.
结论:
- 这项研究强调了在生物科学中对ML的不受管制的应用需要谨慎.
- 倡导开发和实施数据标准和验证工具包,以确保在生物学中稳健和负责任地使用ML.
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