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Provably Accurate Shapley Value Estimation via Leverage Score Sampling

ICLR 2025 · Learning theory and algorithms › Prediction and decision losses · approach: Shapley value attribution · 3 citations (OpenAlex)

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Proposes Leverage SHAP, a leverage-score-sampling variant of Kernel SHAP with closed-form leverage scores that yields provable accuracy guarantees using O(n log n) value-function evaluations.

Problem

Estimating Shapley values for black-box models needs exponentially many evaluations exactly; Kernel SHAP is popular but lacked non-asymptotic accuracy guarantees when subsampled.

Approach

Reformulate Shapley regression as unconstrained least squares via a projection, show leverage scores of the projected matrix have closed form proportional to inverse binomial coefficient of subset size, and sample subsets by leverage score with paired and without-replacement sampling.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Replace optimized Kernel SHAP sampling probabilities with leverage-score samplingShapley value estimation · Eight SHAP library datasets; non-unit error-ratio settingsrelative squared ℓ2 error: 50.0% of the errorHelped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Californiarelative squared ℓ2 error (mean): 0.00301 -> 0.000249Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Diabetesrelative squared ℓ2 error (mean): 0.00791 -> 0.00227Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Adultrelative squared ℓ2 error (mean): 0.0104 -> 0.00416Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Correlatedrelative squared ℓ2 error (mean): 0.0117 -> 0.00662Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Independentrelative squared ℓ2 error (mean): 0.00507 -> 0.00257Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · NHANESrelative squared ℓ2 error (mean): 0.00713 -> 0.00505Helped
Use leverage-score sampling instead of Kernel SHAP samplingShapley value estimation · Communitiesrelative squared ℓ2 error (mean): 0.0231 -> 0.0139Helped
Add paired sampling (ablation)Leverage SHAP · Sample-size experiments across settingsrelative squared ℓ2 error: roughly four or moreHelped
Add Bernoulli sampling (sampling without replacement) (ablation)Leverage SHAP · Small-n datasetsrelative squared ℓ2 error: between 1.1 and 10 (about 2 in the typical setting)Helped
Add Bernoulli sampling (sampling without replacement) (ablation)Leverage SHAP · Large-n datasetsrelative squared ℓ2 errorNo clear effect
Use leverage-score sampling rather than optimized Kernel SHAP samplingShapley value estimation with noisy set-function access · Low and moderate noise (σ ≤ 0.1)relative squared ℓ2 errorHelped

Surprising findings

Limitations

Experimental setup

Datasets: IRIS California housing Diabetes Adult Correlated Independent NHANES Communities

Benchmarks: IRIS California Diabetes Adult Correlated Independent NHANES Communities

Metrics: relative squared l2 error of Shapley values linear objective error

Baselines: Kernel SHAP Optimized Kernel SHAP (SHAP library) Permutation SHAP

Builds on: Kernel SHAP statistical leverage score sampling Tree SHAP stratified SVARM

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