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Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to…

Quantum Physics · Physics 2022-11-01 Kaito Kishi , Takahiko Satoh , Rudy Raymond , Naoki Yamamoto , Yasubumi Sakakibara

A family of maximum mean discrepancy (MMD) kernel two-sample tests is introduced. Members of the test family are called Block-tests or B-tests, since the test statistic is an average over MMDs computed on subsets of the samples. The choice…

Machine Learning · Computer Science 2014-02-11 Wojciech Zaremba , Arthur Gretton , Matthew Blaschko

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

In the past two decades, significant advances have been made in understanding the structural and functional properties of biological networks, via graph-theoretic analysis. In general, most graph-theoretic studies are conducted in the…

Physics and Society · Physics 2013-10-21 Michelle Rudolph-Lilith , Lyle E. Muller

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Kernel methods provide a flexible and powerful framework for nonparametric statistical testing by embedding probability distributions into a reproducing kernel Hilbert space (RKHS). In this work, we study the kernel two-sample testing…

Statistics Theory · Mathematics 2026-04-09 Perrine Lacroix , Bertrand Michel , Franck Picard , Vincent Rivoirard

Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

The surge in digitized text data requires reliable inferential methods on observed textual patterns. This article proposes a novel two-sample text test for comparing similarity between two groups of documents. The hypothesis is whether the…

Machine Learning · Statistics 2025-05-09 Jingbin Xu , Chen Qian , Meimei Liu , Feng Guo

The Wasserstein distance is a powerful metric based on the theory of optimal transport. It gives a natural measure of the distance between two distributions with a wide range of applications. In contrast to a number of the common…

Machine Learning · Computer Science 2021-02-16 Jung Hun Oh , Maryam Pouryahya , Aditi Iyer , Aditya P. Apte , Allen Tannenbaum , Joseph O. Deasy

Neural tangent kernels (NTKs) provide a theoretical regime to analyze the learning and generalization behavior of over-parametrized neural networks. For a supervised learning task, the association between the eigenvectors of the NTK kernel…

Machine Learning · Computer Science 2023-10-18 Shervin Khalafi , Saurabh Sihag , Alejandro Ribeiro

We use a suitable version of the so-called "kernel trick" to devise two-sample (homogeneity) tests, especially focussed on high-dimensional and functional data. Our proposal entails a simplification related to the important practical…

Statistics Theory · Mathematics 2024-04-24 Javier Cárcamo , Antonio Cuevas , Luis-Alberto Rodríguez

Graph kernels have recently emerged as a promising approach for tackling the graph similarity and learning tasks at the same time. In this paper, we propose a general framework for designing graph kernels. The proposed framework capitalizes…

Machine Learning · Statistics 2018-08-09 Giannis Nikolentzos , Michalis Vazirgiannis

Contemporary neural networks have achieved a series of developments and successes in many aspects; however, when exposed to data outside the training distribution, they may fail to predict correct answers. In this work, we were concerned…

Computation and Language · Computer Science 2022-03-22 Wanshui Li , Pasquale Minervini

Given $M \geq 2$ distributions defined on a general measurable space, we introduce a nonparametric (kernel) measure of multi-sample dissimilarity (KMD) -- a parameter that quantifies the difference between the $M$ distributions. The…

Statistics Theory · Mathematics 2022-10-18 Zhen Huang , Bodhisattva Sen

A device called a 'Gaussian Boson Sampler' has initially been proposed as a near-term demonstration of classically intractable quantum computation. As recently shown, it can also be used to decide whether two graphs are isomorphic. Based on…

Quantum Physics · Physics 2020-03-18 Maria Schuld , Kamil Brádler , Robert Israel , Daiqin Su , Brajesh Gupt

Convolutional Neural Networks, as most artificial neural networks, are commonly viewed as methods different in essence from kernel-based methods. We provide a systematic translation of Convolutional Neural Networks (ConvNets) into their…

Machine Learning · Statistics 2019-03-20 Corinne Jones , Vincent Roulet , Zaid Harchaoui

Motivated by the observation that humans can learn patterns from two given images at one time, we propose a dual pattern learning network architecture in this paper. Unlike conventional networks, the proposed architecture has two input…

Computer Vision and Pattern Recognition · Computer Science 2018-06-12 Haimin Zhang , Min Xu

Double-descent curves in neural networks describe the phenomenon that the generalisation error initially descends with increasing parameters, then grows after reaching an optimal number of parameters which is less than the number of data…

Machine Learning · Statistics 2023-05-29 Ouns El Harzli , Bernardo Cuenca Grau , Guillermo Valle-Pérez , Ard A. Louis

This paper considers the two-dataset problem, where data are collected from two potentially different populations sharing common aspects. This problem arises when data are collected by two different types of researchers or from two…

Methodology · Statistics 2022-09-27 Steven N. MacEachern , Koji Miyawaki

Are two sets of observations drawn from the same distribution? This problem is a two-sample test. Kernel methods lead to many appealing properties. Indeed state-of-the-art approaches use the $L^2$ distance between kernel-based distribution…

Machine Learning · Statistics 2019-10-02 M. Scetbon , G. Varoquaux