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The Gaussian process (GP) is a popular statistical technique for stochastic function approximation and uncertainty quantification from data. GPs have been adopted into the realm of machine learning in the last two decades because of their…

Machine Learning · Statistics 2024-10-02 Marcus M. Noack , Hengrui Luo , Mark D. Risser

Neural network models are known to reinforce hidden data biases, making them unreliable and difficult to interpret. We seek to build models that `know what they do not know' by introducing inductive biases in the function space. We show…

Machine Learning · Computer Science 2021-12-21 Lassi Meronen , Martin Trapp , Arno Solin

Standard kernels such as Mat\'ern or RBF kernels only encode simple monotonic dependencies within the input space. Spectral mixture kernels have been proposed as general-purpose, flexible kernels for learning and discovering more…

Machine Learning · Computer Science 2018-11-28 Sami Remes , Markus Heinonen , Samuel Kaski

Gaussian Processes (GPs) provide a convenient framework for specifying function-space priors, making them a natural choice for modeling uncertainty. In contrast, Bayesian Neural Networks (BNNs) offer greater scalability and extendability…

Machine Learning · Computer Science 2025-06-12 Marcin Sendera , Amin Sorkhei , Tomasz Kuśmierczyk

In this brief we investigate the generalization properties of a recently-proposed class of non-parametric activation functions, the kernel activation functions (KAFs). KAFs introduce additional parameters in the learning process in order to…

Machine Learning · Statistics 2019-03-29 Michele Cirillo , Simone Scardapane , Steven Van Vaerenbergh , Aurelio Uncini

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine Learning · Statistics 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

Gaussian processes have become a popular tool for nonparametric regression because of their flexibility and uncertainty quantification. However, they often use stationary kernels, which limit the expressiveness of the model and may be…

Machine Learning · Computer Science 2025-07-17 Zachary James , Joseph Guinness

The behavior of a GP regression depends on the choice of covariance function. Stationary covariance functions are preferred in machine learning applications. However, (non-periodic) stationary covariance functions are always mean reverting…

Machine Learning · Statistics 2024-05-16 Luca Ambrogioni

Recent advances in Deep Gaussian Processes (DGPs) show the potential to have more expressive representation than that of traditional Gaussian Processes (GPs). However, there exists a pathology of deep Gaussian processes that their learning…

Machine Learning · Computer Science 2020-12-22 Anh Tong , Jaesik Choi

The use of covariance kernels is ubiquitous in the field of spatial statistics. Kernels allow data to be mapped into high-dimensional feature spaces and can thus extend simple linear additive methods to nonlinear methods with higher order…

Machine Learning · Statistics 2017-11-16 Jean-Francois Ton , Seth Flaxman , Dino Sejdinovic , Samir Bhatt

It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian…

The effectiveness of deep neural architectures has been widely supported in terms of both experimental and foundational principles. There is also clear evidence that the activation function (e.g. the rectifier and the LSTM units) plays a…

Machine Learning · Computer Science 2018-10-08 Giuseppe Marra , Dario Zanca , Alessandro Betti , Marco Gori

In this paper we consider a new class of RBF (Radial Basis Function) neural networks, in which smoothing factors are replaced with shifts. We prove under certain conditions on the activation function that these networks are capable of…

Machine Learning · Computer Science 2023-04-11 Aysu Ismayilova , Muhammad Ismayilov

Gradient-based neural network training traditionally enforces symmetry between forward and backward propagation, requiring activation functions to be differentiable (or sub-differentiable) and strictly monotonic in certain regions to…

Neural and Evolutionary Computing · Computer Science 2025-09-10 Luigi Troiano , Francesco Gissi , Vincenzo Benedetto , Genny Tortora

The ensemble of unresolved compact binary coalescences is a promising source of the stochastic gravitational wave (GW) background. For stellar-mass black hole binaries, the astrophysical stochastic GW background is expected to exhibit…

General Relativity and Quantum Cosmology · Physics 2023-02-22 Takahiro S. Yamamoto , Sachiko Kuroyanagi , Guo-Chin Liu

Bayesian optimization with Gaussian processes (GP) is commonly used to optimize black-box functions. The Mat\'ern and the Radial Basis Function (RBF) covariance functions are used frequently, but they do not make any assumptions about the…

Machine Learning · Computer Science 2025-06-23 Huy Hoang Nguyen , Han Zhou , Matthew B. Blaschko , Aleksei Tiulpin

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

We propose non-stationary spectral kernels for Gaussian process regression. We propose to model the spectral density of a non-stationary kernel function as a mixture of input-dependent Gaussian process frequency density surfaces. We solve…

Machine Learning · Statistics 2019-09-25 Sami Remes , Markus Heinonen , Samuel Kaski

In this work we analyze the role nonlinear activation functions play at stationary points of dense neural network training problems. We consider a generic least squares loss function training formulation. We show that the nonlinear…

Optimization and Control · Mathematics 2020-02-10 Thomas O'Leary-Roseberry , Omar Ghattas

We show how to treat systematic uncertainties using Bayesian deep networks for regression. First, we analyze how these networks separately trace statistical and systematic uncertainties on the momenta of boosted top quarks forming fat jets.…

High Energy Physics - Phenomenology · Physics 2020-12-23 Gregor Kasieczka , Michel Luchmann , Florian Otterpohl , Tilman Plehn
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