Convex-Geometric Error Bounds for Positive-Weight Kernel Quadrature

Kernel herding belongs to a family of deterministic quadratures that seek to minimize the maximum mean discrepancy (MMD), that is, the worst-case integration error over a reproducing kernel Hilbert space (RKHS). These MMD minimization procedures come with strong experimental support, but comparatively less theoretical footing. In particular, apart from recent progress in distribution compression, little has been proved in favor of an improvement of MMD minimization over classical Monte Carlo quadrature when the RKHS is infinite-dimensional. In this paper, we study a joint probability distribution over quadrature nodes, a tailored Gibbs distribution, whose support intuitively tends to concentrate around MMD minimizers as a temperature parameter is decreased. Our main contribution is to prove that drawing integration nodes from our distribution does outperform i.i.d Monte Carlo. While our bounds on the worst-case integration error feature the same rate as i.i.d. Monte Carlo, we do obtain a tighter concentration inequality as the temperature parameter decreases. This means smaller confidence intervals as the number of quadrature nodes increases. While arguably a first step, our results demonstrate that the mathematical toolbox developed around Gibbs measures can help understand to what extent kernel herding and its variants improve on computationally cheaper methods. There remains the issue of sampling from our Gibbs distribution. In our numerical experiments, we demonstrate that a simple MCMC chain already yields approximate samples that lead to improved confidence intervals around the target integrals, as supported by our theoretical results.

We study query time bounds for the fundamental problem of estimating the kernel mean $\frac1{|X|}\sum_{x\in X}\mathbf{k}(x,y)$ of a query $y$ in a finite dataset $X\subset\mathbb{R}^d$ up to a prescribed additive error $\varepsilon$. The best known bounds for the Gaussian kernel are $O(d/\varepsilon^2)$, $\widetilde O(d+1/\varepsilon^4)$, and $\widetilde O(d+Δ^2/\varepsilon^2)$, where $Δ$ is the diameter of a region containing the points. We prove the new bound $\tilde O(d+\varepsilonΔ^2+1/\varepsilon^3)$, which improves over the previous ones in regimes with small error $\varepsilon$ and intermediate diameter $Δ$. At the center of our proof is a new fast spherical embedding theorem in the sense introduced by Bartal, Recht and Schulman (2011), which limits the embedded data diameter while preserving local Euclidean distances and avoiding ``distance collapse'' at larger scales. This fast embedding theorem may be of independent interest.

We study the adversarial kernel bandit problem, in which the loss at each round is induced by an arbitrary bounded element of a reproducing kernel Hilbert space (RKHS). We propose an exponential-weights algorithm built on a regularized importance-weighted loss estimator, together with an explicit correction term that cancels the bias introduced by the regularization. Our main result bounds the regret by $\widetilde{O}\big(\sqrt{T\, d_*(λ)\,\log|{X}|}\big)$, where $d_*(λ)$ is a widely-adopted notion of effective dimension that captures the complexity of the kernel. Up to logarithmic factors, this matches the known rate achieved in the related stochastic kernel bandit problem. A notable application is the Matérn$(ν,d)$ kernel with smoothness parameter $ν$ on $\mathbb{R}^d$, for which our bound specializes to $\widetilde{O}\big(T^{(ν+d)/(2ν+d)}\big)$, improving over the best-known prior rate of Chatterji et al. [2019] while simultaneously removing the rank-one adversary assumption required by their analysis. Moreover, this rate is the same as the known optimal rate for stochastic kernel bandits, and also matches a lower bound from concurrent work up to a $\log T$ factor.