Advanced kernels improve Gaussian process accuracy by incorporating domain knowledge.
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Shared Keyboard design improves phase I clinical trials by borrowing information across doses.
This review introduces graph kernels for chemoinformatics.
SDRF estimates complex survey designs for conditional distributions.
The success of kernel methods has initiated the design of novel positive semidefinite functions, in particular for structured data. A leading design paradigm for this is the convolution kernel, which decomposes structured objects into their parts and sums over all pairs of parts. Assignment kernels, in contrast, are ob…
TorchKM: A GPU-Oriented Library for Kernel Learning and Model Selection
We analyzed optimism in linear and kernel regression models.
The paper provides consistency results for KDE on manifolds with irregular kernels.
Usually, complex-valued RKHS are presented as an straightforward application of the real-valued case. In this paper we prove that this procedure yields a limited solution for regression. We show that another kernel, here denoted as pseudo kernel, is needed to learn any function in complex-valued fields. Accordingly, we…
Despite their success, kernel methods suffer from a massive computational cost in practice. In this paper, in lieu of commonly used kernel expansion with respect to inputs, we develop a novel optimal design maximizing the entropy among kernel features. This procedure results in a kernel expansion with respect to en…
Kernel methods are among the most popular techniques in machine learning. From a frequentist/discriminative perspective they play a central role in regularization theory as they provide a natural choice for the hypotheses space and the regularization functional through the notion of reproducing kernel Hilbert spaces. F…
Models like support vector machines or Gaussian process regression often require positive semi-definite kernels. These kernels may be based on distance functions. While definiteness is proven for common distances and kernels, a proof for a new kernel may require too much time and effort for users who simply aim at prac…
A new multi-kernel RBFNN design improves performance and speed.
Robust hypothesis testing designs a test for worst-case distributions using kernel methods.
New bounds for KRR condition number reveal overfitting phenomena.
Study on discrepancy principle for learning algorithms in nonparametric regression.
New algorithm uses GNNs to optimize rewards in graph-structured data.
New bounds quantify estimation error in kernel-based system identification with unknown hyperparameters.
Recent results on optimization and generalization properties of neural networks showed that in a simple two-layer network, the alignment of the labels to the eigenvectors of the corresponding Gram matrix determines the convergence of the optimization during training. Such analyses also provide upper bounds on the gener…
A new Gaussian process framework uses neural feature maps for scalable, accurate inference.
HyBO optimizes hybrid structures using diffusion kernels.
New tools evaluate and optimize conditional sequence models in bioinformatics.
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 the combined kernel that performs best over every training example, sacrificing…
New kernels capture both local and non-local interactions efficiently.
New Fourier features improve high-precision approximation in large-scale problems.
Study derives error decay rates for kernel classification under source and capacity conditions.
The paper presents a novel approach to direct covariance function learning for Bayesian optimisation, with particular emphasis on experimental design problems where an existing corpus of condensed knowledge is present. The method presented borrows techniques from reproducing kernel Banach space theory (specifically m-k…
In this paper, we propose a novel supervised learning method that is called Deep Embedding Kernel (DEK). DEK combines the advantages of deep learning and kernel methods in a unified framework. More specifically, DEK is a learnable kernel represented by a newly designed deep architecture. Compared with pre-defined kerne…
Topological data analysis offers a rich source of valuable information to study vision problems. Yet, so far we lack a theoretically sound connection to popular kernel-based learning techniques, such as kernel SVMs or kernel PCA. In this work, we establish such a connection by designing a multi-scale kernel for persist…
Metric learning for classification has been intensively studied over the last decade. The idea is to learn a metric space induced from a normed vector space on which data from different classes are well separated. Different measures of the separation thus lead to various designs of the objective function in the metric …
Novel Hilbert space Gaussian process improves sequential design accuracy and efficiency.
The paper analyzes the statistical cost of tuning kernel hyperparameters in robust regression.
A simple, flexible approach to creating expressive priors in Gaussian process (GP) models makes new kernels from a combination of basic kernels, e.g. summing a periodic and linear kernel can capture seasonal variation with a long term trend. Despite a well-studied link between GPs and Bayesian neural networks (BNNs), t…
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 on the well-known message passing scheme on graphs. The kernels derived from th…
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 kernel-based counterparts, Convolutional Kernel Networks (CKNs), and demonstrate th…
To the best of our knowledge, there are no general well-founded robust methods for statistical unsupervised learning. Most of the unsupervised methods explicitly or implicitly depend on the kernel covariance operator (kernel CO) or kernel cross-covariance operator (kernel CCO). They are sensitive to contaminated data, …
This paper develops tools for nonreversible MCMC with convergence guarantees.
In this paper, we propose PCKID, a novel, robust, kernel function for spectral clustering, specifically designed to handle incomplete data. By combining posterior distributions of Gaussian Mixture Models for incomplete data on different scales, we are able to learn a kernel for incomplete data that does not depend on a…
We implement an all-optical setup demonstrating kernel-based quantum machine learning for two-dimensional classification problems. In this hybrid approach, kernel evaluations are outsourced to projective measurements on suitably designed quantum states encoding the training data, while the model training is processed o…
New quantum kernels avoid overfitting by combining local and global components.
Optimal kernel learning improves GP regression for high-dimensional inputs.
Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian Process literature, kernels have usually been either ad hoc designed, selected from a …
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 fail…
Bayesian nonparametric models, such as Gaussian processes, provide a compelling framework for automatic statistical modelling: these models have a high degree of flexibility, and automatically calibrated complexity. However, automating human expertise remains elusive; for example, Gaussian processes with standard kerne…
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 describe and categorize graph kernels based on properties inherent to their des…
Two Bayesian optimization methods tackle dynamic design spaces with mixed variables.
The kernel least-mean-square (KLMS) algorithm is an appealing tool for online identification of nonlinear systems due to its simplicity and robustness. In addition to choosing a reproducing kernel and setting filter parameters, designing a KLMS adaptive filter requires to select a so-called dictionary in order to get a…
New kernel improves graph learning with fewer labeled data.