Shap-Cov:一种可解释的基于机器学习的工作流程,用于在人口建模中快速识别共变量
Logan Brooks1, Rashed Harun2, Jin Y Jin1
1Clinical Pharmacology, Genentech, Inc., South San Francisco, California, USA.
CPT: pharmacometrics & systems pharmacology
|July 2, 2025
概括
本研究引入了一种新的机器学习方法,用于在人群药理动力学/药理动力学 (popPK/PD) 模型中识别重要因素 (共变量). 该方法通过减少偏差和提高复杂场景中的效率来增强模型开发.
科学领域:
- 药物指标 (Pharmacometrics) 是一个指标.
- 计算生物学 计算生物学
- 统计建模 统计建模
背景情况:
- 共同变量鉴定对于人口药理动力学/药理动力学 (popPK/PD) 模型的开发至关重要.
- 传统的方法往往是有偏见的,耗时的,并与复杂的模型或众多共变量作斗争.
- 机器学习 (ML) 为共变量查提供了一个有希望的替代方案.
研究的目的:
- 在popPK/PD建模中开发和打包一种改进的ML驱动的 covariate识别方法.
- 整合可解释的人工智能 (XAI) 和不确定性量化,以进行可靠的共变量评估.
- 为评估共变量显著性提供一个统计学上严格的框架.
主要方法:
- 整合Shapley添加式解释 (SHAP) 进行基于ML的可解释的共变量选.
- 包括共同变量不确定性量化,以评估确定关系的可靠性.
- 制定一个正式的统计框架,以确定共变量效应的意义.
- 将方法包装成一个用户友好的函数集 (shap-cov).
主要成果:
- 拟议的方法有效地识别了popPK/PD模型中的显著共变量.
- 可解释人工智能 (SHAP) 提供了对每个共变量的贡献的见解.
- 不确定性量化有助于评估共变量发现的稳定性.
- 该shap-cov包简化了共变量识别过程.
结论:
- 这种基于ML的新方法,结合SHAP和不确定性量化,为popPK/PD建模中的共变量识别提供了更有效,更少偏差和统计学上合理的方法.
- 该shap-cov包为研究人员提供了一种实用工具,以加强他们的popPK/PD模型开发.
- 这项工作推动了人工智能在药量测量中的应用,以实现更可靠的药物开发和个性化医疗.
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