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Targeted Learning for Variable Importance

Xiaohan Wang, Yunzhe Zhou, Giles Hooker

TL;DR

This work advances uncertainty quantification for variable importance by embedding CPI within the targeted learning framework, yielding an estimator that is regular, asymptotically linear, and (under mild conditions) efficient. The authors derive efficient influence functions for CPI and related VI metrics, and introduce an iterative TL update that debiases the plug-in estimator while preserving computational practicality. Through simulations and two real-data applications (bike sharing and wine quality), the TL CPI estimator demonstrates reduced bias and improved coverage relative to traditional one-step or bootstrap approaches, at a modest cost in CI length. The results support model-agnostic, nonparametric inference for CPI and offer practical guidance for robust interpretation of variable importance in complex ML models.

Abstract

Variable importance is one of the most widely used measures for interpreting machine learning with significant interest from both statistics and machine learning communities. Recently, increasing attention has been directed toward uncertainty quantification in these metrics. Current approaches largely rely on one-step procedures, which, while asymptotically efficient, can present higher sensitivity and instability in finite sample settings. To address these limitations, we propose a novel method by employing the targeted learning (TL) framework, designed to enhance robustness in inference for variable importance metrics. Our approach is particularly suited for conditional permutation variable importance. We show that it (i) retains the asymptotic efficiency of traditional methods, (ii) maintains comparable computational complexity, and (iii) delivers improved accuracy, especially in finite sample contexts. We further support these findings with numerical experiments that illustrate the practical advantages of our method and validate the theoretical results.

Targeted Learning for Variable Importance

TL;DR

This work advances uncertainty quantification for variable importance by embedding CPI within the targeted learning framework, yielding an estimator that is regular, asymptotically linear, and (under mild conditions) efficient. The authors derive efficient influence functions for CPI and related VI metrics, and introduce an iterative TL update that debiases the plug-in estimator while preserving computational practicality. Through simulations and two real-data applications (bike sharing and wine quality), the TL CPI estimator demonstrates reduced bias and improved coverage relative to traditional one-step or bootstrap approaches, at a modest cost in CI length. The results support model-agnostic, nonparametric inference for CPI and offer practical guidance for robust interpretation of variable importance in complex ML models.

Abstract

Variable importance is one of the most widely used measures for interpreting machine learning with significant interest from both statistics and machine learning communities. Recently, increasing attention has been directed toward uncertainty quantification in these metrics. Current approaches largely rely on one-step procedures, which, while asymptotically efficient, can present higher sensitivity and instability in finite sample settings. To address these limitations, we propose a novel method by employing the targeted learning (TL) framework, designed to enhance robustness in inference for variable importance metrics. Our approach is particularly suited for conditional permutation variable importance. We show that it (i) retains the asymptotic efficiency of traditional methods, (ii) maintains comparable computational complexity, and (iii) delivers improved accuracy, especially in finite sample contexts. We further support these findings with numerical experiments that illustrate the practical advantages of our method and validate the theoretical results.

Paper Structure

This paper contains 32 sections, 8 theorems, 52 equations, 3 figures, 1 table, 1 algorithm.

Key Result

Lemma 1

The efficient influence function for is:

Figures (3)

  • Figure 1: Bias, Coverage and Length of Confidence Intervals of targeted learning and plug-in estimators using three different initial estimators: General Additive Model (left), XGBoost (middle), and Multi-Layer Perceptron (right) based on 240 simulated data, each with 1000 observations
  • Figure 2: Conditional variable importance scores for the hourly bike share dataset, obtained using TL with an XGBoost-based initial estimate.
  • Figure 3: Conditional variable importance scores for the wine quality, obtained using TL with an Random Forest-based initial estimate.

Theorems & Definitions (18)

  • Definition 1
  • Lemma 1
  • Lemma 2
  • Lemma 3: williamson2020efficient
  • Lemma 4
  • Definition 2
  • Definition 3
  • Remark 1
  • Remark 2
  • Theorem 1
  • ...and 8 more