Zoltán Szabó

Patric Bonnier, Harald Oberhauser, Zoltán Szabó · oxford

In $\mathbb R^d$, it is well-known that cumulants provide an alternative to moments that can achieve the same goals with numerous benefits such as lower variance estimators. In this paper we extend cumulants to reproducing kernel Hilbert spaces (RKHS) using tools from tensor algebras and show that they are computationally tractable by a kernel trick. These kernelized cumulants provide a new set of all-purpose statistics; the classical maximum mean discrepancy and Hilbert-Schmidt independence criterion arise as the degree one objects in our general construction. We argue both theoretically and empirically (on synthetic, environmental, and traffic data analysis) that going beyond degree one has several advantages and can be achieved with the same computational complexity and minimal overhead in our experiments.

Antonin Schrab, Wittawat Jitkrittum, Zoltán Szabó et al.

We discuss how MultiFIT, the Multiscale Fisher's Independence Test for Multivariate Dependence proposed by Gorsky and Ma (2022), compares to existing linear-time kernel tests based on the Hilbert-Schmidt independence criterion (HSIC). We highlight the fact that the levels of the kernel tests at any finite sample size can be controlled exactly, as it is the case with the level of MultiFIT. In our experiments, we observe some of the performance limitations of MultiFIT in terms of test power.

Florian Kalinke, Zoltán Szabó, Bharath K. Sriperumbudur

Kernel Stein discrepancy (KSD) is among the most popular goodness-of-fit (GoF) measures on general domains with a large number of successful deployments. One of the main applications of KSD is in constructing powerful GoF tests. However, tests relying on the classical U-/V-statistic-based KSD estimators have two major drawbacks. (i) Their runtime scales quadratically in the number of samples. (ii) Their asymptotic null distribution is computationally intractable in most cases, typically handled by bootstrapping. While it is known that the Nyström method permits accelerating KSD estimation with no loss of statistical accuracy under mild conditions, to the best of our knowledge, the fundamental question of its impact on bootstrap-based GoF testing is open; resolving this question is the focus of the current paper. In particular, we prove that the key properties of the quadratic-time bootstrapped KSD-based GoF test (asymptotic level and local consistency) are preserved by its Nyström acceleration. We numerically demonstrate the efficiency of the accelerated KSD estimator and bootstrap in the context of GoF testing of spherical and functional data. Our numerical results show that the Nyström-accelerated method performs statistically on-par with the quadratic-time approach, while requiring substantially smaller runtime.

Florian Kalinke, Zoltán Szabó

Kernel techniques are among the most popular and powerful approaches of data science. Among the key features that make kernels ubiquitous are (i) the number of domains they have been designed for, (ii) the Hilbert structure of the function class associated to kernels facilitating their statistical analysis, and (iii) their ability to represent probability distributions without loss of information. These properties give rise to the immense success of Hilbert-Schmidt independence criterion (HSIC) which is able to capture joint independence of random variables under mild conditions, and permits closed-form estimators with quadratic computational complexity (w.r.t. the sample size). In order to alleviate the quadratic computational bottleneck in large-scale applications, multiple HSIC approximations have been proposed, however these estimators are restricted to $M=2$ random variables, do not extend naturally to the $M\ge 2$ case, and lack theoretical guarantees. In this work, we propose an alternative Nyström-based HSIC estimator which handles the $M\ge 2$ case, prove its consistency, and demonstrate its applicability in multiple contexts, including synthetic examples, dependency testing of media annotations, and causal discovery.

Pouya Roudaki, Shakeel Gavioli-Akilagun, Florian Kalinke et al.

We introduce kernel integrated $R^2$, a new measure of statistical dependence that combines the local normalization principle of the recently introduced integrated $R^2$ with the flexibility of reproducing kernel Hilbert spaces (RKHSs). The proposed measure extends integrated $R^2$ from scalar responses to responses taking values on general spaces equipped with a characteristic kernel, allowing to measure dependence of multivariate, functional, and structured data, while remaining sensitive to tail behaviour and oscillatory dependence structures. We establish that (i) this new measure takes values in $[0,1]$, (ii) equals zero if and only if independence holds, and (iii) equals one if and only if the response is almost surely a measurable function of the covariates. Two estimators are proposed: a graph-based method using $K$-nearest neighbours and an RKHS-based method built on conditional mean embeddings. We prove consistency and derive convergence rates for the graph-based estimator, showing its adaptation to intrinsic dimensionality. Numerical experiments on simulated data and a real data experiment in the context of dependency testing for media annotations demonstrate competitive power against state-of-the-art dependence measures, particularly in settings involving non-linear and structured relationships.

Jose Cribeiro-Ramallo, Agnideep Aich, Florian Kalinke et al.

Kernel Stein discrepancies (KSDs) have emerged as a powerful tool for quantifying goodness-of-fit over the last decade, featuring numerous successful applications. To the best of our knowledge, all existing KSD estimators with known rate achieve $\sqrt n$-convergence. In this work, we present two complementary results (with different proof strategies), establishing that the minimax lower bound of KSD estimation is $n^{-1/2}$ and settling the optimality of these estimators. Our first result focuses on KSD estimation on $\mathbb R^d$ with the Langevin-Stein operator; our explicit constant for the Gaussian kernel indicates that the difficulty of KSD estimation may increase exponentially with the dimensionality $d$. Our second result settles the minimax lower bound for KSD estimation on general domains.

Alex Lambert, Sanjeel Parekh, Zoltán Szabó et al.

Style transfer is a significant problem of machine learning with numerous successful applications. In this work, we present a novel style transfer framework building upon infinite task learning and vector-valued reproducing kernel Hilbert spaces. We instantiate the idea in emotion transfer where the goal is to transform facial images to different target emotions. The proposed approach provides a principled way to gain explicit control over the continuous style space. We demonstrate the efficiency of the technique on popular facial emotion benchmarks, achieving low reconstruction cost and high emotion classification accuracy.

Romain Brault, Alex Lambert, Zoltán Szabó et al.

Machine learning has witnessed tremendous success in solving tasks depending on a single hyperparameter. When considering simultaneously a finite number of tasks, multi-task learning enables one to account for the similarities of the tasks via appropriate regularizers. A step further consists of learning a continuum of tasks for various loss functions. A promising approach, called \emph{Parametric Task Learning}, has paved the way in the continuum setting for affine models and piecewise-linear loss functions. In this work, we introduce a novel approach called \emph{Infinite Task Learning} whose goal is to learn a function whose output is a function over the hyperparameter space. We leverage tools from operator-valued kernels and the associated vector-valued RKHSs that provide an explicit control over the role of the hyperparameters, and also allows us to consider new type of constraints. We provide generalization guarantees to the suggested scheme and illustrate its efficiency in cost-sensitive classification, quantile regression and density level set estimation.

Wittawat Jitkrittum, Arthur Gretton, Nicolas Heess et al.

We propose an efficient nonparametric strategy for learning a message operator in expectation propagation (EP), which takes as input the set of incoming messages to a factor node, and produces an outgoing message as output. This learned operator replaces the multivariate integral required in classical EP, which may not have an analytic expression. We use kernel-based regression, which is trained on a set of probability distributions representing the incoming messages, and the associated outgoing messages. The kernel approach has two main advantages: first, it is fast, as it is implemented using a novel two-layer random feature representation of the input message distributions; second, it has principled uncertainty estimates, and can be cheaply updated online, meaning it can request and incorporate new training data when it encounters inputs on which it is uncertain. In experiments, our approach is able to solve learning problems where a single message operator is required for multiple, substantially different data sets (logistic regression for a variety of classification problems), where it is essential to accurately assess uncertainty and to efficiently and robustly update the message operator.