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 u-statistics


Statistical Inference and Learning for Shapley Additive Explanations (SHAP)

Whitehouse, Justin, Sawarni, Ayush, Syrgkanis, Vasilis

arXiv.org Machine Learning

The SHAP (short for Shapley additive explanation) framework has become an essential tool for attributing importance to variables in predictive tasks. In model-agnostic settings, SHAP uses the concept of Shapley values from cooperative game theory to fairly allocate credit to the features in a vector $X$ based on their contribution to an outcome $Y$. While the explanations offered by SHAP are local by nature, learners often need global measures of feature importance in order to improve model explainability and perform feature selection. The most common approach for converting these local explanations into global ones is to compute either the mean absolute SHAP or mean squared SHAP. However, despite their ubiquity, there do not exist approaches for performing statistical inference on these quantities. In this paper, we take a semi-parametric approach for calibrating confidence in estimates of the $p$th powers of Shapley additive explanations. We show that, by treating the SHAP curve as a nuisance function that must be estimated from data, one can reliably construct asymptotically normal estimates of the $p$th powers of SHAP. When $p \geq 2$, we show a de-biased estimator that combines U-statistics with Neyman orthogonal scores for functionals of nested regressions is asymptotically normal. When $1 \leq p < 2$ (and the hence target parameter is not twice differentiable), we construct de-biased U-statistics for a smoothed alternative. In particular, we show how to carefully tune the temperature parameter of the smoothing function in order to obtain inference for the true, unsmoothed $p$th power. We complement these results by presenting a Neyman orthogonal loss that can be used to learn the SHAP curve via empirical risk minimization and discussing excess risk guarantees for commonly used function classes.


Efficient Aggregated Kernel Tests using IncompleteU-statistics

Neural Information Processing Systems

Theminimax (i.e.optimal) rateoverthe SobolevballSsd(R) is N 2s/(4s+d) forthetwo-sample (Liand Yuan, 2019, Theorem 5 (ii)) andindependence (Albertetal., 2022, Theorem 4; Berrett etal., 2021, Corollary 5) problems.




Maximum Mean Discrepancy with Unequal Sample Sizes via Generalized U-Statistics

Wei, Aaron, Jalali, Milad, Sutherland, Danica J.

arXiv.org Machine Learning

Existing two-sample testing techniques, particularly those based on choosing a kernel for the Maximum Mean Discrepancy (MMD), often assume equal sample sizes from the two distributions. Applying these methods in practice can require discarding valuable data, unnecessarily reducing test power. W e address this long-standing limitation by extending the theory of generalized U-statistics and applying it to the usual MMD estimator, resulting in new characterization of the asymptotic distributions of the MMD estimator with unequal sample sizes (particularly outside the proportional regimes required by previous partial results). This generalization also provides a new criterion for optimizing the power of an MMD test with unequal sample sizes. Our approach preserves all available data, enhancing test accuracy and applicability in realistic settings. Along the way, we give much cleaner characterizations of the variance of MMD estimators, revealing something that might be surprising to those in the area: while zero MMD implies a degenerate estimator, it is sometimes possible to have a degenerate estimator with nonzero MMD as well; we give a construction and a proof that it does not happen in common situations.



Empirical Likelihood for Random Forests and Ensembles

Chiang, Harold D., Matsushita, Yukitoshi, Otsu, Taisuke

arXiv.org Machine Learning

We develop an empirical likelihood (EL) framework for random forests and related ensemble methods, providing a likelihood-based approach to quantify their statistical uncertainty. Exploiting the incomplete $U$-statistic structure inherent in ensemble predictions, we construct an EL statistic that is asymptotically chi-squared when subsampling induced by incompleteness is not overly sparse. Under sparser subsampling regimes, the EL statistic tends to over-cover due to loss of pivotality; we therefore propose a modified EL that restores pivotality through a simple adjustment. Our method retains key properties of EL while remaining computationally efficient. Theory for honest random forests and simulations demonstrate that modified EL achieves accurate coverage and practical reliability relative to existing inference methods.



Incomplete U-Statistics of Equireplicate Designs: Berry-Esseen Bound and Efficient Construction

Miglioli, Cesare, Awan, Jordan

arXiv.org Machine Learning

U-statistics are a fundamental class of estimators that generalize the sample mean and underpin much of nonparametric statistics. Although extensively studied in both statistics and probability, key challenges remain: their high computational cost - addressed partly through incomplete U-statistics - and their non-standard asymptotic behavior in the degenerate case, which typically requires resampling methods for hypothesis testing. This paper presents a novel perspective on U-statistics, grounded in hypergraph theory and combinatorial designs. Our approach bypasses the traditional Hoeffding decomposition, the main analytical tool in this literature but one highly sensitive to degeneracy. By characterizing the dependence structure of a U-statistic, we derive a Berry-Esseen bound valid for incomplete U-statistics of deterministic designs, yielding conditions under which Gaussian limiting distributions can be established even in degenerate cases and when the order diverges. We also introduce efficient algorithms to construct incomplete U-statistics of equireplicate designs, a subclass of deterministic designs that, in certain cases, achieve minimum variance. Finally, we apply our framework to kernel-based tests that use Maximum Mean Discrepancy (MMD) and Hilbert-Schmidt Independence Criterion. In a real data example with the CIFAR-10 dataset, our permutation-free MMD test delivers substantial computational gains while retaining power and type I error control.