Kernel discrepancies are a powerful tool for analyzing worst-case errors in quasi-Monte Carlo (QMC) methods. Building on recent advances in optimizing such discrepancy measures, we extend the subset selection problem to the setting of kernel discrepancies, selecting an m-element subset from a large population of size $n \gg m$. We introduce a novel subset selection algorithm applicable to general kernel discrepancies to efficiently generate low-discrepancy samples from both the uniform distribution on the unit hypercube, the traditional setting of classical QMC, and from more general distributions $F$ with known density functions by employing the kernel Stein discrepancy. We also explore the relationship between the classical $L_2$ star discrepancy and its $L_\infty$ counterpart.

This paper provides a unifying view of optimal kernel hypothesis testing across the MMD two-sample, HSIC independence, and KSD goodness-of-fit frameworks. Minimax optimal separation rates in the kernel and $L^2$ metrics are presented, with two adaptive kernel selection methods (kernel pooling and aggregation), and under various testing constraints: computational efficiency, differential privacy, and robustness to data corruption. Intuition behind the derivation of the power results is provided in a unified way accross the three frameworks, and open problems are highlighted.

This article provides a practical introduction to kernel discrepancies, focusing on the Maximum Mean Discrepancy (MMD), the Hilbert-Schmidt Independence Criterion (HSIC), and the Kernel Stein Discrepancy (KSD). Various estimators for these discrepancies are presented, including the commonly-used V-statistics and U-statistics, as well as several forms of the more computationallyefficient incomplete U-statistics. The importance of the choice of kernel bandwidth is stressed, showing how it affects the behaviour of the discrepancy estimation. Adaptive estimators are introduced, which combine multiple estimators with various kernels, addressing the problem of kernel selection. This paper corresponds to the introduction of my PhD thesis (Schrab, 2025a, Chapter 2) and is presented as a standalone article to introduce the reader to kernel discrepancies estimators. First, in Section 1, we define kernels, Reproducing Kernel Hilbert Spaces, mean embeddings and cross-covariance operators, and present kernel properties such as characteristicity, universality and translation invariance. Then, in Section 2, we introduce the Maximum Mean Discprecancy, the Hilbert-Schmidt Independence Criterion, and the Kernel Stein Discrepancy, as well as their estimators, and we discuss the importance of the choice of kernel for such measures. We then introduce a collection of statistics in Section 3, including the commonly-used complete statistics, as well as their incomplete counterparts which trade accuracy for computational efficiency. Finally, in Section 4, we construct adaptive estimators combining multiple statistics with various kernels, which is one method to address the problem of kernel selection.

Maximum mean discrepancies (MMDs) like the kernel Stein discrepancy (KSD) have grown central to a wide range of applications, including hypothesis testing, sampler selection, distribution approximation, and variational inference. In each setting, these kernel-based discrepancy measures are required to (i) separate a target P from other probability measures or even (ii) control weak convergence to P. In this article we derive new sufficient and necessary conditions to ensure (i) and (ii). For MMDs on separable metric spaces, we characterize those kernels that separate Bochner embeddable measures and introduce simple conditions for separating all measures with unbounded kernels and for controlling convergence with bounded kernels. We use these results on $\mathbb{R}^d$ to substantially broaden the known conditions for KSD separation and convergence control and to develop the first KSDs known to exactly metrize weak convergence to P. Along the way, we highlight the implications of our results for hypothesis testing, measuring and improving sample quality, and sampling with Stein variational gradient descent.

We apply the discrepancy method and a chaining approach to give improved bounds on the coreset complexity of a wide class of kernel functions. Our results give randomized polynomial time algorithms to produce coresets of size $O\big(\frac{\sqrt{d}}{\varepsilon}\sqrt{\log\log \frac{1}{\varepsilon}}\big)$ for the Gaussian and Laplacian kernels in the case that the data set is uniformly bounded, an improvement that was not possible with previous techniques. We also obtain coresets of size $O\big(\frac{1}{\varepsilon}\sqrt{\log\log \frac{1}{\varepsilon}}\big)$ for the Laplacian kernel for $d$ constant. Finally, we give the best known bounds of $O\big(\frac{\sqrt{d}}{\varepsilon}\sqrt{\log(2\max\{1,\alpha\})}\big)$ on the coreset complexity of the exponential, Hellinger, and JS Kernels, where $1/\alpha$ is the bandwidth parameter of the kernel.

In this paper, we propose a deterministic variational inference approach and generate low-discrepancy points by minimizing the kernel discrepancy, also known as the Maximum Mean Discrepancy or MMD. Based on the general energetic variational inference framework by Wang et. al. (2021), minimizing the kernel discrepancy is transformed to solving a dynamic ODE system via the explicit Euler scheme. We name the resulting algorithm EVI-MMD and demonstrate it through examples in which the target distribution is fully specified, partially specified up to the normalizing constant, and empirically known in the form of training data. Its performances are satisfactory compared to alternative methods in the applications of distribution approximation, numerical integration, and generative learning. The EVI-MMD algorithm overcomes the bottleneck of the existing MMD-descent algorithms, which are mostly applicable to two-sample problems. Algorithms with more sophisticated structures and potential advantages can be developed under the EVI framework.