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Efficient and accurate low-rank approximations of multiple data sources are essential in the era of big data. The scaling of kernel-based learning algorithms to large datasets is limited by the O(n^2) computation and storage complexity of…

Machine Learning · Computer Science 2020-12-10 Martin Stražar , Tomaž Curk

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

The use of machine learning (ML) algorithms in molecular simulations has become commonplace in recent years. There now exists, for instance, a multitude of ML force field algorithms that have enabled simulations approaching ab initio level…

Chemical Physics · Physics 2025-04-17 Jakub K. Sowa , Peter J. Rossky

In recent years, there has been an increasing awareness of both the public and scientific community that algorithmic systems can reproduce, amplify, or even introduce unfairness in our societies. These lecture notes provide an introduction…

Computers and Society · Computer Science 2021-05-13 Hilde J. P. Weerts

The success of kernel-based learning methods depend on the choice of kernel. Recently, kernel learning methods have been proposed that use data to select the most appropriate kernel, usually by combining a set of base kernels. We introduce…

Machine Learning · Computer Science 2011-12-21 Arash Afkanpour , Csaba Szepesvari , Michael Bowling

This paper introduces a novel approach for multi-task regression that connects Kernel Machines (KMs) and Extreme Learning Machines (ELMs) through the exploitation of the Random Fourier Features (RFFs) approximation of the RBF kernel. In…

This study combines two different learning paradigms, k-nearest neighbor (k-NN) rule, as memory-based learning paradigm and relevance vector machines (RVM), as statistical learning paradigm. This combination is performed in kernel space and…

Machine Learning · Computer Science 2021-03-09 Sara Hosseinzadeh Kassani , Farhood Rismanchian , Peyman Hosseinzadeh Kassani

Multiple Kernel Learning, or MKL, extends (kernelized) SVM by attempting to learn not only a classifier/regressor but also the best kernel for the training task, usually from a combination of existing kernel functions. Most MKL methods seek…

Machine Learning · Computer Science 2016-03-07 John Moeller , Sarathkrishna Swaminathan , Suresh Venkatasubramanian

Deep kernel learning provides an elegant and principled framework for combining the structural properties of deep learning algorithms with the flexibility of kernel methods. By means of a deep neural network, we learn a parametrized kernel…

Machine Learning · Computer Science 2020-12-14 Prudencio Tossou , Basile Dura , Francois Laviolette , Mario Marchand , Alexandre Lacoste

A formal link between regression and classification has been tenuous. Even though the margin maximization term $\|w\|$ is used in support vector regression, it has at best been justified as a regularizer. We show that a regression problem…

Machine Learning · Computer Science 2025-11-07 Jayadeva , Naman Dwivedi , Hari Krishnan , N. M. Anoop Krishnan

Two pretrained neural networks are deemed equivalent if they yield similar outputs for the same inputs. Equivalence checking of neural networks is of great importance, due to its utility in replacing learning-enabled components with…

Artificial Intelligence · Computer Science 2022-03-23 Charis Eleftheriadis , Nikolaos Kekatos , Panagiotis Katsaros , Stavros Tripakis

Multiple Kernel Learning (MKL) models combine several kernels in supervised and unsupervised settings to integrate multiple data representations or sources, each represented by a different kernel. MKL seeks an optimal linear combination of…

Machine Learning · Computer Science 2025-12-15 Janaina Mourão-Miranda , Zakria Hussain , Konstantinos Tsirlis , Christophe Phillips , John Shawe-Taylor

The paper describes an application of Aggregating Algorithm to the problem of regression. It generalizes earlier results concerned with plain linear regression to kernel techniques and presents an on-line algorithm which performs nearly as…

Machine Learning · Computer Science 2012-07-19 Alex Gammerman , Yuri Kalnishkan , Vladimir Vovk

Strong equivalence is a well-studied and important concept in answer set programming (ASP). $\rm LP^{MLN}$ is a probabilistic extension of answer set programs with the weight scheme adapted from Markov Logic. Because of the semantic…

Logic in Computer Science · Computer Science 2019-05-21 Man Luo

Random feature approximation is arguably one of the most popular techniques to speed up kernel methods in large scale algorithms and provides a theoretical approach to the analysis of deep neural networks. We analyze generalization…

Machine Learning · Computer Science 2023-08-30 Mike Nguyen , Nicole Mücke

We present a novel view that unifies two frameworks that aim to solve sequential prediction problems: learning to search (L2S) and recurrent neural networks (RNN). We point out equivalences between elements of the two frameworks. By…

Computation and Language · Computer Science 2016-07-19 Khanh Nguyen

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

The functional characterization of different neuronal types has been a longstanding and crucial challenge. With the advent of physical quantum computers, it has become possible to apply quantum machine learning algorithms to translate…

Quantum Physics · Physics 2025-02-11 Xavier Vasques , Hanhee Paik , Laura Cif

One of the most fundamental problems in machine learning is to compare examples: Given a pair of objects we want to return a value which indicates degree of (dis)similarity. Similarity is often task specific, and pre-defined distances can…

Machine Learning · Statistics 2022-08-31 Shubhendu Trivedi

This papers introduces an algorithm for the solution of multiple kernel learning (MKL) problems with elastic-net constraints on the kernel weights. The algorithm compares very favourably in terms of time and space complexity to existing…

Machine Learning · Statistics 2019-04-08 Luca Citi