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arXiv 2402.03447stat.MLcs.LGstat.ME
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相关性下变量重要性排序的挑战

Challenges in Variable Importance Ranking Under Correlation

Princeton University(普林斯顿大学);Merck & Co., Inc.(默克公司)

Annie Liang, Thomas Jemielita, Andy Liaw, Vladimir Svetnik, Lingkang Huang, Richard Baumgartner, Jason M. Klusowski

AI总结:

本研究通过模拟和理论证明,揭示了特征相关性对变量重要性排序的挑战,特别是条件预测影响(CPI)方法在高相关特征下的局限性,强调需理解方法效用与局限。

摘要:

变量重要性在可解释机器学习中扮演着关键角色,因为它有助于衡量因素对预测模型输出的影响。基于通过置换(或相关方法)生成“空”特征的无模型方法可以被应用。此类分析常用于制药应用中,因为它能够解释黑盒模型,包括基于树的集成模型。然而,变量重要性估计中的一个主要挑战和显著混杂因素是特征之间的相关性。最近,提出了几种利用特征敲除(knockoffs)对边际置换进行调整的方法来解决这一问题,例如称为条件预测影响(CPI)的变量重要性度量。对这些方法的评估和评价是我们工作的重点。我们首先进行了一项全面的模拟研究,探讨特征相关性对变量重要性评估的影响。然后,我们从理论上证明了高度相关的特征通过敲除构造对CPI构成的限制。虽然我们预期敲除变量与其对应的预测变量之间总是没有相关性,但我们证明了当预测变量之间的相关性超过某一阈值时,相关性会线性增加。我们的发现强调了在处理高特征相关性时不存在“免费午餐”,以及理解变量重要性估计方法背后的效用和局限性的必要性。

英文摘要:

Variable importance plays a pivotal role in interpretable machine learning as it helps measure the impact of factors on the output of the prediction model. Model agnostic methods based on the generation of "null" features via permutation (or related approaches) can be applied. Such analysis is often utilized in pharmaceutical applications due to its ability to interpret black-box models, including tree-based ensembles. A major challenge and significant confounder in variable importance estimation however is the presence of between-feature correlation. Recently, several adjustments to marginal permutation utilizing feature knockoffs were proposed to address this issue, such as the variable importance measure known as conditional predictive impact (CPI). Assessment and evaluation of such approaches is the focus of our work. We first present a comprehensive simulation study investigating the impact of feature correlation on the assessment of variable importance. We then theoretically prove the limitation that highly correlated features pose for the CPI through the knockoff construction. While we expect that there is always no correlation between knockoff variables and its corresponding predictor variables, we prove that the correlation increases linearly beyond a certain correlation threshold between the predictor variables. Our findings emphasize the absence of free lunch when dealing with high feature correlation, as well as the necessity of understanding the utility and limitations behind methods in variable importance estimation.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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