Department of Statistics（统计学系）；London School of Economics（伦敦经济学院）；Department of Decision Analytics and Operations（决策分析与运营系）；City University of Hong Kong（香港城市大学）；Chair of Information Systems（信息系统教授职位）；Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）
Pouya Roudaki, Shakeel Gavioli-Akilagun, Florian Kalinke, Mona Azadkia, Zoltán Szabó
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.
University of Pittsburgh School of Medicine（匹兹堡大学医学院）
Developing feature selection algorithms that move beyond a pure correlational to a more causal analysis of observational data is an important problem in the sciences. Several algorithms attempt to do so by discovering the Markov blanket of a target, but they all contain a forward selection step which variables must pass in order to be included in the conditioning set. As a result, these algorithms may not consider all possible conditional multivariate combinations. We improve on this limitation by proposing a backward elimination method that uses a kernel-based conditional dependence measure t…
University of Oxford（牛津大学）；Universitat de València（瓦伦西亚大学）
Current adoption of machine learning in industrial, societal and economical activities has raised concerns about the fairness, equity and ethics of automated decisions. Predictive models are often developed using biased datasets and thus retain or even exacerbate biases in their decisions and recommendations. Removing the sensitive covariates, such as gender or race, is insufficient to remedy this issue since the biases may be retained due to other related covariates. We present a regularization approach to this problem that trades off predictive accuracy of the learned models (with respect to…
Toyota Technological Institute at Chicago（芝加哥丰田技术研究所）；DeepMind；UCL（伦敦大学学院）；UBC（英属哥伦比亚大学）；Amii（阿尔伯塔机器智能研究所）
We approach self-supervised learning of image representations from a statistical dependence perspective, proposing Self-Supervised Learning with the Hilbert-Schmidt Independence Criterion (SSL-HSIC). SSL-HSIC maximizes dependence between representations of transformations of an image and the image identity, while minimizing the kernelized variance of those representations. This framework yields a new understanding of InfoNCE, a variational lower bound on the mutual information (MI) between different transformations. While the MI itself is known to have pathologies which can result in learning …
Princeton University（普林斯顿大学）；Institute for Advanced Study（高等研究院）；Carnegie Mellon University（卡内基梅隆大学）
Kernel methods are fundamental in machine learning, and faster algorithms for kernel approximation provide direct speedups for many core tasks in machine learning. The polynomial kernel is especially important as other kernels can often be approximated by the polynomial kernel via a Taylor series expansion. Recent techniques in oblivious sketching reduce the dependence in the running time on the degree $q$ of the polynomial kernel from exponential to polynomial, which is useful for the Gaussian kernel, for which $q$ can be chosen to be polylogarithmic. However, for more slowly growing kernels,…
Carnegie Mellon University（卡内基梅隆大学）；University of Cambridge（剑桥大学）
The paper presents a new copula based method for measuring dependence between random variables. Our approach extends the Maximum Mean Discrepancy to the copula of the joint distribution. We prove that this approach has several advantageous properties. Similarly to Shannon mutual information, the proposed dependence measure is invariant to any strictly increasing transformation of the marginal variables. This is important in many applications, for example in feature selection. The estimator is consistent, robust to outliers, and uses rank statistics only. We derive upper bounds on the convergen…
IRT Saint Exupery（圣埃克苏佩里技术研究院）；Artificial Natural Intelligence Toulouse Institute（图卢兹人工与自然智能研究所）；Université de Toulouse（图卢兹大学）；Carney Institute for Brain Science, Brown University（布朗大学卡尼脑科学研究所）
This paper presents a new efficient black-box attribution method based on Hilbert-Schmidt Independence Criterion (HSIC), a dependence measure based on Reproducing Kernel Hilbert Spaces (RKHS). HSIC measures the dependence between regions of an input image and the output of a model based on kernel embeddings of distributions. It thus provides explanations enriched by RKHS representation capabilities. HSIC can be estimated very efficiently, significantly reducing the computational cost compared to other black-box attribution methods. Our experiments show that HSIC is up to 8 times faster than th…
In this paper we propose and study a class of simple, nonparametric, yet interpretable measures of conditional dependence between two random variables $Y$ and $Z$ given a third variable $X$, all taking values in general topological spaces. The population version of any of these measures captures the strength of conditional dependence and it is 0 if and only if $Y$ and $Z$ are conditionally independent given $X$, and 1 if and only if $Y$ is a measurable function of $Z$ and $X$. Thus, our measure -- which we call kernel partial correlation (KPC) coefficient -- can be thought of as a nonparametri…
University of Electronic Science and Technology of China（电子科技大学）；JD AI Research（京东人工智能研究院）
Multiple kernel learning (MKL) method is generally believed to perform better than single kernel method. However, some empirical studies show that this is not always true: the combination of multiple kernels may even yield an even worse performance than using a single kernel. There are two possible reasons for the failure: (i) most existing MKL methods assume that the optimal kernel is a linear combination of base kernels, which may not hold true; and (ii) some kernel weights are inappropriately assigned due to noises and carelessly designed algorithms. In this paper, we propose a novel MKL fr…
Adaptive Kernel Selection for Kernelized Diffusion Maps
CY Cergy Paris University（塞纳-圣但尼大学）；Institut Polytechnique de Paris（巴黎理工学院）；California Institute of Technology（加州理工学院）；The Alan Turing Institute（阿兰·图灵研究所）；Imperial College London（伦敦帝国学院）
In many settings it is critical to accurately model the extreme tail behaviour of a random process. Non-parametric density estimation methods are commonly implemented as exploratory data analysis techniques for this purpose as they possess excellent visualisation properties, and can naturally avoid the model specification biases implied by using parametric estimators. In particular, kernel-based estimators place minimal assumptions on the data, and provide improved visualisation over scatterplots and histograms. However kernel density estimators are known to perform poorly when estimating extr…
Northeastern University（东北大学）；University College London（伦敦大学学院）
We propose a greedy strategy to spectrally train a deep network for multi-class classification. Each layer is defined as a composition of linear weights with the feature map of a Gaussian kernel acting as the activation function. At each layer, the linear weights are learned by maximizing the dependence between the layer output and the labels using the Hilbert Schmidt Independence Criterion (HSIC). By constraining the solution space on the Stiefel Manifold, we demonstrate how our network construct (Kernel Dependence Network or KNet) can be solved spectrally while leveraging the eigenvalues to …
University of Utah（犹他大学）；Simons Institute for Theory of Computing（西蒙斯计算理论研究所）
We introduce two versions of a new sketch for approximately embedding the Gaussian kernel into Euclidean inner product space. These work by truncating infinite expansions of the Gaussian kernel, and carefully invoking the RecursiveTensorSketch [Ahle et al. SODA 2020]. After providing concentration and approximation properties of these sketches, we use them to approximate the kernel distance between points sets. These sketches yield almost $(1+\varepsilon)$-relative error, but with a small additive $α$ term. In the first variants the dependence on $1/α$ is poly-logarithmic, but has higher degre…
Centre de Mathématiques Appliquées, CNRS, Ecole Polytechnique, UMR 7641（应用数学中心，CNRS，巴黎综合理工学院，UMR 7641）；Capital Fund Management；Laboratoire Sciences Pour l’Environnement, Université de Corse（环境科学实验室，科西嘉大学）
We design a new nonparametric method that allows one to estimate the matrix of integrated kernels of a multivariate Hawkes process. This matrix not only encodes the mutual influences of each nodes of the process, but also disentangles the causality relationships between them. Our approach is the first that leads to an estimation of this matrix without any parametric modeling and estimation of the kernels themselves. A consequence is that it can give an estimation of causality relationships between nodes (or users), based on their activity timestamps (on a social network for instance), without …
We apply both distance-based (Jin and Matteson, 2017) and kernel-based (Pfister et al., 2016) mutual dependence measures to independent component analysis (ICA), and generalize dCovICA (Matteson and Tsay, 2017) to MDMICA, minimizing empirical dependence measures as an objective function in both deflation and parallel manners. Solving this minimization problem, we introduce Latin hypercube sampling (LHS) (McKay et al., 2000), and a global optimization method, Bayesian optimization (BO) (Mockus, 1994) to improve the initialization of the Newton-type local optimization method. The performance of …
Copula-Stein Discrepancy: A Generator-Based Stein Operator for Archimedean Dependence
Department of Mathematics, University of Louisiana at Lafayette, Lafayette, Louisiana, USA（路易斯安那州拉法叶大学数学系）；Department of Statistics, formerly of Presidency College, Kolkata, India（加德满都大学统计系）
University College London（伦敦大学学院）；Inria（法国国家信息与自动化研究所）；Google Research（谷歌研究院）；London School of Economics and Political Science（伦敦政治经济学院）；University of Oxford（牛津大学）
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.
University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；Adobe Research（奥多比研究院）
Independence testing plays a central role in statistical and causal inference from observational data. Standard independence tests assume that the data samples are independent and identically distributed (i.i.d.) but that assumption is violated in many real-world datasets and applications centered on relational systems. This work examines the problem of estimating independence in data drawn from relational systems by defining sufficient representations for the sets of observations influencing individual instances. Specifically, we define marginal and conditional independence tests for relation…
Columbia University（哥伦比亚大学）；Cornell University（康奈尔大学）；National University of Singapore（新加坡国立大学）
We propose kernel PCA as a method for analyzing the dependence structure of multivariate extremes and demonstrate that it can be a powerful tool for clustering and dimension reduction. Our work provides some theoretical insight into the preimages obtained by kernel PCA, demonstrating that under certain conditions they can effectively identify clusters in the data. We build on these new insights to characterize rigorously the performance of kernel PCA based on an extremal sample, i.e., the angular part of random vectors for which the radius exceeds a large threshold. More specifically, we focus…
We present a novel attention-based model for discrete event data to capture complex non-linear temporal dependence structures. We borrow the idea from the attention mechanism and incorporate it into the point processes' conditional intensity function. We further introduce a novel score function using Fourier kernel embedding, whose spectrum is represented using neural networks, which drastically differs from the traditional dot-product kernel and can capture a more complex similarity structure. We establish our approach's theoretical properties and demonstrate our approach's competitive perfor…
University College London（伦敦大学学院）；École Polytechnique（巴黎综合理工学院）
A new computationally efficient dependence measure, and an adaptive statistical test of independence, are proposed. The dependence measure is the difference between analytic embeddings of the joint distribution and the product of the marginals, evaluated at a finite set of locations (features). These features are chosen so as to maximize a lower bound on the test power, resulting in a test that is data-efficient, and that runs in linear time (with respect to the sample size n). The optimized features can be interpreted as evidence to reject the null hypothesis, indicating regions in the joint …
CREST（法国 Crest 研究中心）；ENSAE（法国国家统计与经济管理学院）；Facebook AI Research（脸书人工智能研究院）；Université Paris-Dauphine（巴黎多芬大学）；Technion（以色列理工学院）
We propose a new conditional dependence measure and a statistical test for conditional independence. The measure is based on the difference between analytic kernel embeddings of two well-suited distributions evaluated at a finite set of locations. We obtain its asymptotic distribution under the null hypothesis of conditional independence and design a consistent statistical test from it. We conduct a series of experiments showing that our new test outperforms state-of-the-art methods both in terms of type-I and type-II errors even in the high dimensional setting.
Many real-world optimization problems require significant resources for objective function evaluations. This is a challenge to evolutionary algorithms, as it limits the number of available evaluations. One solution are surrogate models, which replace the expensive objective. A particular issue in this context are hierarchical variables. Hierarchical variables only influence the objective function if other variables satisfy some condition. We study how this kind of hierarchical structure can be integrated into the model based optimization framework. We discuss an existing kernel and propose alt…
