arXiv Machine Learning

Exact and general decoupled solutions of the LMC Multitask Gaussian Process model

The paper presents an exact, efficient solution for the Linear Model of Co‑regionalization (LMC) multitask Gaussian Process by decoupling latent processes under a mild noise‑model assumption. It introduces a full parametrization of the resulting projected LMC, enabling linear‑time optimization and simplifying tasks such as training updates and leave‑one‑out cross‑validation. Experiments on synthetic and real data demonstrate that projected LMC is competitive with state‑of‑the‑art multitask GP models while offering greater interpretability and computational ease.

arXiv Machine Learning
Jul 27

gp2Scale: A Class of Compactly Supported Non-Stationary Kernels and Distributed Computing for Exact Gaussian Processes on 10 Million Data Points

arXiv:2512. 06143v2 Announce Type: replace Abstract: Despite a large corpus of recent work on scaling up Gaussian processes, a stubborn trade-off between computational speed, prediction and uncertainty quantification accuracy, and customizability persists.

By Marcus M. Noack, Mark D. Risser, Hengrui Luo, Vardaan Tekriwal, Ronald J. Pandolfi
arXiv Machine Learning
Oct 8

Scalable Logistic Gaussian Process Density Regression with Kinetic Langevin Sampling

The paper introduces a scalable Bayesian method for conditional density estimation using a logistic Gaussian process. It models the log conditional density with a separable covariance— a Matérn kernel on the response dimension and a Nyström-feature kernel on covariates— and samples the latent field via kinetic Langevin dynamics instead of traditional approximations. Experiments on photometric‑redshift data with up to 3.9 million observations show the approach matches state‑of‑the‑art tabular foundation models on density and calibration metrics.

By Daniel Paulin, \'Ad\'am Jung, Andr\'as A. Bencz\'ur
arXiv Machine Learning
Sep 15

Bayesian Optimisation Using Product-of-Experts Gaussian Process Models with Uncertainty Calibration

The paper introduces BO-pro-c, a Bayesian optimisation algorithm that employs a product-of-experts Gaussian process (GP-pro-c) as its surrogate model. GP-pro-c combines multiple local GP experts to improve uncertainty quantification, reduce computational cost, and preserve global correlations, addressing the cubic complexity of single global GP models. Experiments show that BO-pro-c achieves competitive optimisation performance with a 0.9% lower simple regret and a 39.4% reduction in computational overhead compared to a single‑global‑GP baseline.

By Yean Hoon Ong
arXiv Machine Learning
Aug 13

A Factor Graph Approach to Scalable Multi-Output Gaussian Process Regression

arXiv:2608. 11917v1 Announce Type: new Abstract: Multi-output Gaussian process regression scales cubically in the number of observations times outputs, and dense kernel-matrix methods need bespoke handling whenever different outputs are observed at different inputs.

By Wouter W. L. Nuijten, Esther G. van Pelt, Albert Podusenko, \.Ismail \c{S}en\"oz, Wouter M. Kouw
arXiv Machine Learning
Sep 23

On Basis Function Selection for Sparse Gaussian Process Regression

The paper proposes three information‑theoretic criteria for selecting the most relevant basis functions in sparse Gaussian process regression, tailored to different levels of prior knowledge. Experiments on six UCI regression datasets and three basis families (HSGP, VFF, VISH) show that the no‑data criterion is a robust default, often outperforming simple truncation, while the data‑aware criteria yield significant improvements for HSGP. The study demonstrates that careful basis‑function selection can lead to better performance without increasing computational cost.

By Marnix Van Soom, Ivan De Boi
arXiv Statistics ML
Oct 5

A Residual Tree Gaussian Process Modeling Framework for High-Dimensional Data

The paper introduces ResTGP, a Bayesian residual tree Gaussian Process framework designed for large, high‑dimensional spatial datasets with heterogeneous structures. It decomposes a Gaussian process across a dyadic tree, iteratively computing predictive and residual processes at each node to capture multi‑scale covariance efficiently. The method employs recursive message passing for linear‑time Bayesian inference and demonstrates posterior consistency, with numerical experiments and a storm surge application highlighting its advantages.

By Pulong Ma, Li Ma
arXiv Machine Learning
Aug 27

Multi-output Gaussian process prediction of physical fields under linear equality constraints

The paper tackles the challenge of predicting multiple high‑dimensional physical fields that must satisfy linear equality constraints, a common scenario in physics‑informed machine learning. It critiques the conventional approach of deducing one field from others, showing its sensitivity to arbitrary choices and its impact on accuracy and uncertainty. To address this, the authors introduce a symmetric framework that first applies a row‑wise PCA to preserve constraints in a latent space, then trains a linearly‑constrained multi‑output Gaussian process using a specially parametrized kernel, and validate the method on population dynamics and CFD problems involving Reynolds stress tensors.

By Mahamat Hamdan Nassouradine, Cl\'ement Gauchy, Pierre-Emmanuel Angeli, S\'ebastien da Veiga