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The main objective of the Multiple Kernel k-Means (MKKM) algorithm is to extract non-linear information and achieve optimal clustering by optimizing base kernel matrices. Current methods enhance information diversity and reduce redundancy…

Machine Learning · Computer Science 2024-03-07 Rina Su , Yu Guo , Caiying Wu , Qiyu Jin , Tieyong Zeng

In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that…

Machine Learning · Computer Science 2019-03-27 Tran-Thai Dang , Tien-Lam Pham , Hiori Kino , Takashi Miyake , Hieu-Chi Dam

Standard Monte Carlo computation is widely known to exhibit a canonical square-root convergence speed in terms of sample size. Two recent techniques, one based on control variate and one on importance sampling, both derived from an…

Computation · Statistics 2023-03-13 Henry Lam , Haofeng Zhang

Goodness-of-fit (GoF) tests are fundamental for assessing model adequacy. Score-based tests are appealing because they require fitting the model only once under the null. However, extending them to powerful nonparametric alternatives is…

Machine Learning · Statistics 2026-02-24 Zhihan Huang , Ziang Niu

Centroid based clustering methods such as k-means, k-medoids and k-centers are heavily applied as a go-to tool in exploratory data analysis. In many cases, those methods are used to obtain representative centroids of the data manifold for…

Machine Learning · Computer Science 2022-06-16 Ahmed Imtiaz Humayun , Randall Balestriero , Anastasios Kyrillidis , Richard Baraniuk

Stein variational gradient descent (SVGD) is a non-parametric inference algorithm that evolves a set of particles to fit a given distribution of interest. We analyze the non-asymptotic properties of SVGD, showing that there exists a set of…

Machine Learning · Statistics 2018-10-30 Qiang Liu , Dilin Wang

Kernel mean embeddings are a popular tool that consists in representing probability measures by their infinite-dimensional mean embeddings in a reproducing kernel Hilbert space. When the kernel is characteristic, mean embeddings can be used…

Machine Learning · Computer Science 2021-06-29 Boris Muzellec , Francis Bach , Alessandro Rudi

Clifford-Steerable CNNs (CSCNNs) provide a unified framework that allows incorporating equivariance to arbitrary pseudo-Euclidean groups, including isometries of Euclidean space and Minkowski spacetime. In this work, we demonstrate that the…

Machine Learning · Computer Science 2025-10-17 Bálint László Szarvas , Maksim Zhdanov

Kernel $k$-means clustering is a powerful tool for unsupervised learning of non-linearly separable data. Since the earliest attempts, researchers have noted that such algorithms often become trapped by local minima arising from…

Machine Learning · Statistics 2020-11-13 Debolina Paul , Saptarshi Chakraborty , Swagatam Das , Jason Xu

Motivated by the increasing availability of low- and mixed-precision arithmetic on modern hardware, we develop mixed-precision variants of Lloyd's algorithm for k-means clustering. The main ingredient is a family of mixed-precision kernels…

Numerical Analysis · Mathematics 2026-05-26 Erin Carson , Xinye Chen , Xiaobo Liu

This paper introduces a kernel discrepancy-based framework for rerandomization to enhance the precision of causal inference in controlled experiments. We demonstrate that the kernel discrepancy is the key part of the variance upper bound…

Methodology · Statistics 2025-11-05 Yiou Li , Lulu Kang

This paper presents a novel kernel-based generative classifier which is defined in a distortion subspace using polynomial series expansion, named Kernel-Distortion (KD) classifier. An iterative kernel selection algorithm is developed to…

Machine Learning · Statistics 2016-06-22 Bo Tang , Paul M. Baggenstoss , Haibo He

Stochastic gradient descent (SGD) provides a simple and efficient way to solve a broad range of machine learning problems. Here, we focus on distribution regression (DR), involving two stages of sampling: Firstly, we regress from…

Machine Learning · Statistics 2021-03-08 Nicole Mücke

We propose a novel supervised learning method to optimize the kernel in the maximum mean discrepancy generative adversarial networks (MMD GANs), and the kernel support vector machines (SVMs). Specifically, we characterize a distributionally…

Machine Learning · Computer Science 2020-02-25 Masoud Badiei Khuzani , Liyue Shen , Shahin Shahrampour , Lei Xing

The Maximum Mean Discrepancy (MMD) is a cornerstone statistic for nonparametric two-sample testing, but its test power is dictated entirely by the chosen kernel. Because any fixed kernel inherently fails to distinguish certain…

Machine Learning · Statistics 2026-05-11 Yijin Ni , Xiaoming Huo

A central challenge in Bayesian inference is efficiently approximating posterior distributions. Stein Variational Gradient Descent (SVGD) is a popular variational inference method which transports a set of particles to approximate a target…

Machine Learning · Statistics 2025-12-05 Moritz Melcher , Simon Weissmann , Ashia C. Wilson , Jakob Zech

The paper introduces a new kernel-based Maximum Mean Discrepancy (MMD) statistic for measuring the distance between two distributions given finitely-many multivariate samples. When the distributions are locally low-dimensional, the proposed…

Machine Learning · Statistics 2018-09-03 Xiuyuan Cheng , Alexander Cloninger , Ronald R. Coifman

We propose a framework to construct practical kernel-based two-sample tests from the family of $f$-divergences. The test statistic is computed from the witness function of a regularized variational representation of the divergence, which we…

Machine Learning · Statistics 2026-01-28 Mónica Ribero , Antonin Schrab , Arthur Gretton

Stein's method for measuring convergence to a continuous target distribution relies on an operator characterizing the target and Stein factor bounds on the solutions of an associated differential equation. While such operators and bounds…

Machine Learning · Statistics 2018-11-14 Jackson Gorham , Andrew B. Duncan , Sebastian J. Vollmer , Lester Mackey

To cluster data that are not linearly separable in the original feature space, $k$-means clustering was extended to the kernel version. However, the performance of kernel $k$-means clustering largely depends on the choice of kernel…

Machine Learning · Computer Science 2018-11-02 Yaqiang Yao , Huanhuan Chen
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