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Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

Observations of exoplanet atmospheres in high resolution have the potential to resolve individual planetary absorption lines, despite the issues associated with ground-based observations. The removal of contaminating stellar and telluric…

Earth and Planetary Astrophysics · Physics 2022-03-18 Annabella Meech , Suzanne Aigrain , Matteo Brogi , Jayne Birkby

Deep Gaussian processes (DGPs) are multi-layer hierarchical generalisations of Gaussian processes (GPs) and are formally equivalent to neural networks with multiple, infinitely wide hidden layers. DGPs are nonparametric probabilistic models…

Deep Gaussian processes (DGPs) upgrade ordinary GPs through functional composition, in which intermediate GP layers warp the original inputs, providing flexibility to model non-stationary dynamics. Two DGP regimes have emerged in recent…

Computation · Statistics 2022-08-16 Annie Sauer , Andrew Cooper , Robert B. Gramacy

It is desirable to combine the expressive power of deep learning with Gaussian Process (GP) in one expressive Bayesian learning model. Deep kernel learning showed success in adopting a deep network for feature extraction followed by a GP…

Machine Learning · Computer Science 2021-10-26 Chi-Ken Lu , Patrick Shafto

Monitoring data transfer performance is a crucial task in scientific computing networks. By predicting performance early in the communication phase, potentially sluggish transfers can be identified and selectively monitored, optimizing…

Machine Learning · Computer Science 2025-12-17 Jacob Taegon Kim , Alex Sim , Kesheng Wu , Jinoh Kim

Gaussian processes~(Kriging) are interpolating data-driven models that are frequently applied in various disciplines. Often, Gaussian processes are trained on datasets and are subsequently embedded as surrogate models in optimization…

Optimization and Control · Mathematics 2024-01-17 Artur M. Schweidtmann , Dominik Bongartz , Daniel Grothe , Tim Kerkenhoff , Xiaopeng Lin , Jaromil Najman , Alexander Mitsos

The time-dependent deformation of concrete, particularly creep, remains a key challenge for reliable and material-efficient design. Experimental results show that tailored preloading, short-term loads exceeding the subsequent sustained…

Computational Engineering, Finance, and Science · Computer Science 2026-04-29 Leonie Heller , Christopher Taube , Gledson Rodrigo Tondo , Guido Morgenthal

Gaussian Processes are widely used for regression tasks. A known limitation in the application of Gaussian Processes to regression tasks is that the computation of the solution requires performing a matrix inversion. The solution also…

Machine Learning · Computer Science 2017-08-22 Sourish Das , Sasanka Roy , Rajiv Sambasivan

We propose a method (TT-GP) for approximate inference in Gaussian Process (GP) models. We build on previous scalable GP research including stochastic variational inference based on inducing inputs, kernel interpolation, and structure…

Machine Learning · Computer Science 2018-01-18 Pavel Izmailov , Alexander Novikov , Dmitry Kropotov

Gaussian processes (GPs) are typically criticised for their unfavourable scaling in both computational and memory requirements. For large datasets, sparse GPs reduce these demands by conditioning on a small set of inducing variables…

In nonparametric regression, it is common for the inputs to fall in a restricted subset of Euclidean space. Typical kernel-based methods that do not take into account the intrinsic geometry of the domain across which observations are…

Methodology · Statistics 2021-11-04 David B Dunson , Hau-Tieng Wu , Nan Wu

In this paper we develop the Greedy Recombination Interpolation Method (GRIM) for finding sparse approximations of functions initially given as linear combinations of some (large) number of simpler functions. In a similar spirit to the…

Numerical Analysis · Mathematics 2024-03-11 Terry Lyons , Andrew D. McLeod

Gaussian Process (GPs) models are a rich distribution over functions with inductive biases controlled by a kernel function. Learning occurs through the optimisation of kernel hyperparameters using the marginal likelihood as the objective.…

Machine Learning · Statistics 2021-11-22 Fergus Simpson , Vidhi Lalchand , Carl Edward Rasmussen

We examine the general problem of inter-domain Gaussian Processes (GPs): problems where the GP realization and the noisy observations of that realization lie on different domains. When the mapping between those domains is linear, such as…

Machine Learning · Computer Science 2021-06-25 Luhuan Wu , Andrew Miller , Lauren Anderson , Geoff Pleiss , David Blei , John Cunningham

Additive Gaussian Processes (GPs) are popular approaches for nonparametric feature selection. The common training method for these models is Bayesian Back-fitting. However, the convergence rate of Back-fitting in training additive GPs is…

Machine Learning · Statistics 2024-04-02 Lu Zou , Liang Ding

Gaussian processes (GPs) provide a probabilistic nonparametric representation of functions in regression, classification, and other problems. Unfortunately, exact learning with GPs is intractable for large datasets. A variety of approximate…

Machine Learning · Computer Science 2010-02-23 Yuan Qi , Ahmed H. Abdel-Gawad , Thomas P. Minka

Graph Neural Networks (GNNs) offer a principled framework for learning over graph-structured data, yet their expressive capacity is often hindered by over-squashing, wherein information from distant nodes is compressed into fixed-size…

Machine Learning · Computer Science 2025-09-22 Aryan Mishra , Lizhen Lin

Structured Kernel Interpolation (SKI) (Wilson et al. 2015) helps scale Gaussian Processes (GPs) by approximating the kernel matrix via interpolation at inducing points, achieving linear computational complexity. However, it lacks rigorous…

Machine Learning · Computer Science 2025-02-05 Alexander Moreno , Justin Xiao , Jonathan Mei

A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses,…

Molecular Networks · Quantitative Biology 2023-01-18 Mohammad Alali , Mahdi Imani