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Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We…

Machine Learning · Computer Science 2020-02-05 Nils M. Kriege , Fredrik D. Johansson , Christopher Morris

We introduce the loss kernel, an interpretability method for measuring similarity between data points according to a trained neural network. The kernel is the covariance matrix of per-sample losses computed under a distribution of…

Machine Learning · Computer Science 2025-10-01 Maxwell Adam , Zach Furman , Jesse Hoogland

Motivation: In a predictive modeling setting, if sufficient details of the system behavior are known, one can build and use a simulation for making predictions. When sufficient system details are not known, one typically turns to machine…

Machine Learning · Statistics 2019-08-14 Timo M. Deist , Andrew Patti , Zhaoqi Wang , David Krane , Taylor Sorenson , David Craft

Kernels are often developed and used as implicit mapping functions that show impressive predictive power due to their high-dimensional feature space representations. In this study, we gradually construct a series of simple feature maps that…

Machine Learning · Computer Science 2020-07-20 Gurhan Ceylan , S. Ilker Birbil

This work incorporates topological features via persistence diagrams to classify point cloud data arising from materials science. Persistence diagrams are multisets summarizing the connectedness and holes of given data. A new distance on…

Machine Learning · Statistics 2019-11-11 Vasileios Maroulas , Cassie Putman Micucci , Adam Spannaus

We propose a class of kernel-based two-sample tests, which aim to determine whether two sets of samples are drawn from the same distribution. Our tests are constructed from kernels parameterized by deep neural nets, trained to maximize test…

Machine Learning · Statistics 2021-01-15 Feng Liu , Wenkai Xu , Jie Lu , Guangquan Zhang , Arthur Gretton , Danica J. Sutherland

In this work we consider the problem of learning a positive semidefinite kernel matrix from relative comparisons of the form: "object A is more similar to object B than it is to C", where comparisons are given by humans. Existing solutions…

Machine Learning · Computer Science 2014-04-17 Eric Heim , Hamed Valizadegan , Milos Hauskrecht

Topological data analysis (TDA) is an emerging mathematical concept for characterizing shapes in complex data. In TDA, persistence diagrams are widely recognized as a useful descriptor of data, and can distinguish robust and noisy…

Algebraic Topology · Mathematics 2016-04-27 Genki Kusano , Kenji Fukumizu , Yasuaki Hiraoka

Artificial neural networks can learn complex, salient data features to achieve a given task. On the opposite end of the spectrum, mathematically grounded methods such as topological data analysis allow users to design analysis pipelines…

Machine Learning · Computer Science 2022-12-29 Mattia G. Bergomi , Massimo Ferri , Alessandro Mella , Pietro Vertechi

This paper introduces persistent homology, which is a powerful tool to characterize the shape of data using the mathematical concept of topology. We explain the fundamental idea of persistent homology from scratch using some examples. We…

Algebraic Topology · Mathematics 2022-05-25 Ippei Obayashi , Takenobu Nakamura , Yasuaki Hiraoka

Measuring similarity between two objects is the core operation in existing clustering algorithms in grouping similar objects into clusters. This paper introduces a new similarity measure called point-set kernel which computes the similarity…

Machine Learning · Computer Science 2022-01-07 Kai Ming Ting , Jonathan R. Wells , Ye Zhu

Model misspecification can create significant challenges for the implementation of probabilistic models, and this has led to development of a range of robust methods which directly account for this issue. However, whether these more…

Machine Learning · Statistics 2025-04-22 Oscar Key , Arthur Gretton , François-Xavier Briol , Tamara Fernandez

The performance portability of OpenCL kernel implementations for common memory bandwidth limited linear algebra operations across different hardware generations of the same vendor as well as across vendors is studied. Certain combinations…

Mathematical Software · Computer Science 2022-11-03 Karl Rupp , Philippe Tillet , Florian Rudolf , Josef Weinbub , Tibor Grasser , Ansgar Jüngel

In recent years, kernel methods are widespread in tasks of similarity measuring. Specifically, graph kernels are widely used in fields of bioinformatics, chemistry and financial data analysis. However, existing methods, especially entropy…

Machine Learning · Computer Science 2023-03-27 Chengyu Sun , Xing Ai , Zhihong Zhang , Edwin R Hancock

The term "CoRE kernel" stands for correlation-resemblance kernel. In many applications (e.g., vision), the data are often high-dimensional, sparse, and non-binary. We propose two types of (nonlinear) CoRE kernels for non-binary sparse data…

Machine Learning · Statistics 2014-04-25 Ping Li

The state-of-the-art CNN models give good performance on sentence classification tasks. The purpose of this work is to empirically study desirable properties such as semantic coherence, attention mechanism and reusability of CNNs in these…

Computation and Language · Computer Science 2016-10-11 Madhusudan Lakshmana , Sundararajan Sellamanickam , Shirish Shevade , Keerthi Selvaraj

Persistence diagrams, the most common descriptors of Topological Data Analysis, encode topological properties of data and have already proved pivotal in many different applications of data science. However, since the (metric) space of…

Machine Learning · Statistics 2020-03-10 Mathieu Carrière , Frédéric Chazal , Yuichi Ike , Théo Lacombe , Martin Royer , Yuhei Umeda

This paper presents a kernel formulation of the recently introduced diff-hash algorithm for the construction of similarity-sensitive hash functions. Our kernel diff-hash algorithm that shows superior performance on the problem of image…

Computer Vision and Pattern Recognition · Computer Science 2011-11-03 Michael M Bronstein

Quantum kernel methods are a promising branch of quantum machine learning, yet their effectiveness on diverse, high-dimensional, real-world data remains unverified. Current research has largely been limited to low-dimensional or synthetic…

Machine Learning · Computer Science 2026-02-19 Jiang Yuhan , Matthew Otten

Parallel fixed-parameter tractability studies how parameterized problems can be solved in parallel. A surprisingly large number of parameterized problems admit a high level of parallelization, but this does not mean that we can also…

Computational Complexity · Computer Science 2018-07-11 Max Bannach , Till Tantau