2023/09/18 by Marcus M. Noack, Hengrui Luo, Noack, Marcus M. +3 · 2 citations
Computer Science · Engineering · Environmental Science · #Air Quality Monitoring and Forecasting #FOS: Computer and information sciences #FOS: Mathematics #Fault Detection and Control Systems #Gaussian Processes and Bayesian Inference #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Probability (math.PR)
paper · pdf · doi:10.48550/arxiv.2309.10068
openalex publication_date 2023/09/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
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 superior prediction abilities, especially in data-sparse scenarios, and their inherent ability to provide robust uncertainty estimates. Even so, their performance highly depends on intricate customizations of the core methodology, which often leads to dissatisfaction among practitioners when standard setups and off-the-shelf software tools are being deployed. Arguably the most important building block of a GP is the kernel function which assumes the role of a covariance operator. Stationary kernels of the Matérn class are used in the vast majority of applied studies; poor prediction performance and unrealistic uncertainty quantification are often the consequences. Non-stationary kernels show improved performance but are rarely used due to their more complicated functional form and the associated effort and expertise needed to define and tune them optimally. In this perspective, we want to help ML practitioners make sense of some of the most common forms of non-stationarity for Gaussian processes. We show a variety of kernels in action using representative datasets, carefully study their properties, and compare their performances. Based on our findings, we propose a new kernel that combines some of the identified advantages of existing kernels.