负采样策略影响了与机器学习无尺度生物分子网络相互作用的预测
Pengpai Li1, Bowen Shao1, Guoqing Zhao1
1Department of Biomedical Engineering, School of Control Science and Engineering, Shandong University, Jinan, 250061, Shandong, China.
BMC biology
|May 9, 2025
概括
蛋白质分子相互作用的机器学习 (ML) 模型被生物网络属性所倾向. 一个新的平衡度分布 (DDB) 采样策略提供了对生物信息学ML模型性能的更公平的评估.
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
- 系统生物学 系统生物学
背景情况:
- 蛋白质分子相互作用对于生物过程至关重要.
- 机器学习 (ML) 被广泛用于预测这些相互作用.
- 现有的ML模型通常由于未解决的网络偏差而表现过于乐观.
研究的目的:
- 调查蛋白质分子相互作用的ML模型中的偏差.
- 了解生物网络属性的影响,比如无尺度拓,对ML模型性能.
- 开发一种方法,以更准确和公平地评估 ML 模型在这个领域.
主要方法:
- 在各种任务,数据集和方法中分析ML模型性能.
- 检查来自无尺度网络属性的偏差.
- 开发和应用平衡度分布 (DDB) 抽样策略.
主要成果:
- 生物网络拓学显著影响ML模型培训和评估.
- 无尺度性质在预测蛋白质分子相互作用时引入了固有的偏差.
- 该DDB采样策略有效地减轻了与网络属性相关的偏见.
结论:
- DDB采样方法提供了对ML模型能力的更公平,更精确的评估.
- 解决网络偏差对于生物信息学中可靠的ML模型性能至关重要.
- 这项工作促进了对蛋白质分子相互作用预测的更严格的评估框架.
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