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In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…

Machine Learning · Statistics 2020-03-05 Vincent Dutordoir , Mark van der Wilk , Artem Artemev , James Hensman

We introduce the convolutional spectral kernel (CSK), a novel family of non-stationary, nonparametric covariance kernels for Gaussian process (GP) models, derived from the convolution between two imaginary radial basis functions. We present…

Machine Learning · Statistics 2019-10-15 Zheyang Shen , Markus Heinonen , Samuel Kaski

In this paper we measured the stability of stochastic gradient method (SGM) for learning an approximated Fourier primal support vector machine. The stability of an algorithm is considered by measuring the generalization error in terms of…

Signal Processing · Electrical Eng. & Systems 2018-04-24 Aven Samareh , Mahshid Salemi Parizi

We propose SWA-Gaussian (SWAG), a simple, scalable, and general purpose approach for uncertainty representation and calibration in deep learning. Stochastic Weight Averaging (SWA), which computes the first moment of stochastic gradient…

Machine Learning · Computer Science 2020-01-01 Wesley Maddox , Timur Garipov , Pavel Izmailov , Dmitry Vetrov , Andrew Gordon Wilson

Learning expressive kernels while retaining tractable inference remains a central challenge in scaling Gaussian processes (GPs) to large and complex datasets. We propose a scalable GP regressor based on deep basis kernels (DBKs). Our DBK is…

Machine Learning · Statistics 2026-02-05 Yunqin Zhu , Henry Shaowu Yuchi , Yao Xie

Gaussian processes provide a powerful probabilistic kernel learning framework, which allows learning high quality nonparametric regression models via methods such as Gaussian process regression. Nevertheless, the learning phase of Gaussian…

Numerical Analysis · Mathematics 2021-01-06 Paz Fink Shustin , Haim Avron

The Gaussian kernel is a very popular kernel function used in many machine learning algorithms, especially in support vector machines (SVMs). It is more often used than polynomial kernels when learning from nonlinear datasets, and is…

Machine Learning · Computer Science 2020-05-27 Arit Kumar Bishwas , Ashish Mani , Vasile Palade

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

We investigate iterated compositions of weighted sums of Gaussian kernels and provide an interpretation of the construction that shows some similarities with the architectures of deep neural networks. On the theoretical side, we show that…

Machine Learning · Statistics 2016-12-05 Ingo Steinwart , Philipp Thomann , Nico Schmid

Automating statistical modelling is a challenging problem in artificial intelligence. The Automatic Statistician takes a first step in this direction, by employing a kernel search algorithm with Gaussian Processes (GP) to provide…

Machine Learning · Statistics 2018-02-15 Hyunjik Kim , Yee Whye Teh

We are interested in gradient-based Explicit Generative Modeling where samples can be derived from iterative gradient updates based on an estimate of the score function of the data distribution. Recent advances in Stochastic Gradient…

Machine Learning · Statistics 2020-07-08 Wei-Cheng Chang , Chun-Liang Li , Youssef Mroueh , Yiming Yang

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to…

Neural and Evolutionary Computing · Computer Science 2020-04-07 Greg Yang

Uncertainty quantification (UQ) over graphs arises in a number of safety-critical applications in network science. The Gaussian process (GP), as a classical Bayesian framework for UQ, has been developed to handle graph-structured data by…

Machine Learning · Computer Science 2025-10-08 Jinwen Xu , Qin Lu , Georgios B. Giannakis

We prove an optimal 4G Theorem for the Gaussian kernel. We also propose a new general method of estimating Schroedinger perturbations of transition densities, and give applications to the Gaussian kernel.

Analysis of PDEs · Mathematics 2014-03-27 Krzysztof Bogdan , Karol Szczypkowski

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…

Machine Learning · Computer Science 2019-10-15 Ibai Roman , Roberto Santana , Alexander Mendiburu , Jose A. Lozano

The Gaussian process (GP) is a widely used probabilistic machine learning method with implicit uncertainty characterization for stochastic function approximation, stochastic modeling, and analyzing real-world measurements of nonlinear…

Machine Learning · Statistics 2026-04-14 Mark D. Risser , Marcus M. Noack , Hengrui Luo , Ronald Pandolfi

Accurate cell type annotation is a crucial step in analyzing single-cell RNA sequencing (scRNA-seq) data, which provides valuable insights into cellular heterogeneity. However, due to the high dimensionality and prevalence of zero elements…

Machine Learning · Computer Science 2025-08-14 Huifa Li , Jie Fu , Xinlin Zhuang , Haolin Yang , Xinpeng Ling , Tong Cheng , Haochen xue , Imran Razzak , Zhili Chen

We present a sparse knowledge gradient (SpKG) algorithm for adaptively selecting the targeted regions within a large RNA molecule to identify which regions are most amenable to interactions with other molecules. Experimentally, such regions…

Optimization and Control · Mathematics 2015-08-10 Yan Li , Kristofer G. Reyes , Jorge Vazquez-Anderson , Yingfei Wang , Lydia M. Contreras , Warren B. Powell

Support vector data description (SVDD) is a machine learning technique that is used for single-class classification and outlier detection. The idea of SVDD is to find a set of support vectors that defines a boundary around data. When…

Machine Learning · Statistics 2018-11-05 Hansi Jiang , Haoyu Wang , Wenhao Hu , Deovrat Kakde , Arin Chaudhuri