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Provably Accurate Shapley Value Estimation via Leverage Score Sampling
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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
- Leverage SHAP achieves on average 50.0% of the error of Optimized Kernel SHAP across non-trivial settings (error ratio table over m=5n to 160n).
- At m=10n, Leverage SHAP has best mean relative squared error on all 8 datasets, e.g., Independent mean 0.00257 vs 0.00507 for Optimized Kernel SHAP and 0.0269 for Kernel SHAP.
- Theorem gives O(n log(n/delta) + n/(epsilon delta)) evaluations in expectation for a (1+epsilon) objective-value guarantee.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Replace optimized Kernel SHAP sampling probabilities with leverage-score sampling | Shapley value estimation · Eight SHAP library datasets; non-unit error-ratio settings | relative squared ℓ2 error: 50.0% of the error | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · California | relative squared ℓ2 error (mean): 0.00301 -> 0.000249 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · Diabetes | relative squared ℓ2 error (mean): 0.00791 -> 0.00227 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · Adult | relative squared ℓ2 error (mean): 0.0104 -> 0.00416 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · Correlated | relative squared ℓ2 error (mean): 0.0117 -> 0.00662 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · Independent | relative squared ℓ2 error (mean): 0.00507 -> 0.00257 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · NHANES | relative squared ℓ2 error (mean): 0.00713 -> 0.00505 | Helped |
| Use leverage-score sampling instead of Kernel SHAP sampling | Shapley value estimation · Communities | relative squared ℓ2 error (mean): 0.0231 -> 0.0139 | Helped |
| Add paired sampling (ablation) | Leverage SHAP · Sample-size experiments across settings | relative squared ℓ2 error: roughly four or more | Helped |
| Add Bernoulli sampling (sampling without replacement) (ablation) | Leverage SHAP · Small-n datasets | relative 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 datasets | relative squared ℓ2 error | No clear effect |
| Use leverage-score sampling rather than optimized Kernel SHAP sampling | Shapley value estimation with noisy set-function access · Low and moderate noise (σ ≤ 0.1) | relative squared ℓ2 error | Helped |
Surprising findings
- Leverage scores of the projected matrix are exactly inversely proportional to the number of subsets of each size, so each subset size gets equal total weight.
- Multiplicative approximation of Shapley values is NP-hard in general black-box/circuit settings, motivating objective-value guarantees.
Limitations
- Theoretical guarantee applies to the independent sampling version; the released deterministic stratified implementation lacks formal analysis.
- Guarantee is in objective value; multiplicative per-feature approximation is NP-hard in general.
- Gains depend on gamma; performance erodes as gamma grows.
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
Closest papers by meaning
- A Unified Framework for Provably Efficient Algorithms to Estimate Shapley Values (NeurIPS 2025 · similarity 0.92)
- Regression-adjusted Monte Carlo Estimators for Shapley Values and Probabilistic Values (NeurIPS 2025 · similarity 0.90)
- shapiq: Shapley Interactions for Machine Learning (NeurIPS 2024 · similarity 0.89)
- KernelSHAP-IQ: Weighted Least Square Optimization for Shapley Interactions (ICML 2024 · similarity 0.89)
- Amortized Linear-time Exact Shapley Value for Product-Kernel Methods (NeurIPS 2026 · similarity 0.88)
- SHAP values via sparse Fourier representation (NeurIPS 2025 · similarity 0.87)
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