Hilbert space methods for approximating multi-output latent variable Gaussian processes

Fuente: arXiv
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Autori principali: Mukherjee, Soham, Claassen, Manfred, Bürkner, Paul-Christian
Natura: Preprint
Pubblicazione: 2025
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author Mukherjee, Soham
Claassen, Manfred
Bürkner, Paul-Christian
author_facet Mukherjee, Soham
Claassen, Manfred
Bürkner, Paul-Christian
contents Gaussian processes are a powerful class of non-linear models, but have limited applicability for larger datasets due to their high computational complexity. In such cases, approximate methods are required, for example, the recently developed class of Hilbert space Gaussian processes. They have been shown to significantly reduce computation time while retaining most of the favorable properties of exact Gaussian processes. However, Hilbert space approximations have so far only been developed for uni-dimensional outputs and manifest (known) inputs. Thus, we generalize Hilbert space methods to multi-output and latent input settings. Through extensive simulations, we show that the developed approximate Gaussian processes are indeed not only faster, but also provide similar or even better uncertainty calibration and accuracy of latent variable estimates compared to exact Gaussian processes. While not necessarily faster than alternative Gaussian process approximations, our new models provide better calibration and estimation accuracy, thus striking an excellent balance between trustworthiness and speed. We additionally illustrate our methods on a real-world case study from single cell biology.
format Preprint
id arxiv_https___arxiv_org_abs_2505_16919
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Hilbert space methods for approximating multi-output latent variable Gaussian processes
Mukherjee, Soham
Claassen, Manfred
Bürkner, Paul-Christian
Methodology
Gaussian processes are a powerful class of non-linear models, but have limited applicability for larger datasets due to their high computational complexity. In such cases, approximate methods are required, for example, the recently developed class of Hilbert space Gaussian processes. They have been shown to significantly reduce computation time while retaining most of the favorable properties of exact Gaussian processes. However, Hilbert space approximations have so far only been developed for uni-dimensional outputs and manifest (known) inputs. Thus, we generalize Hilbert space methods to multi-output and latent input settings. Through extensive simulations, we show that the developed approximate Gaussian processes are indeed not only faster, but also provide similar or even better uncertainty calibration and accuracy of latent variable estimates compared to exact Gaussian processes. While not necessarily faster than alternative Gaussian process approximations, our new models provide better calibration and estimation accuracy, thus striking an excellent balance between trustworthiness and speed. We additionally illustrate our methods on a real-world case study from single cell biology.
title Hilbert space methods for approximating multi-output latent variable Gaussian processes
topic Methodology
url https://arxiv.org/abs/2505.16919