Marc Härkönen

Marc Härkönen, Markus Lange-Hegermann, Bogdan Raiţă

Partial differential equations (PDEs) are important tools to model physical systems and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works as a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDEs, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.

Jianlei Huang, Marc Härkönen, Markus Lange-Hegermann et al.

Working with systems of partial differential equations (PDEs) is a fundamental task in computational science. Well-posed systems are addressed by numerical solvers or neural operators, whereas systems described by data are often addressed by PINNs or Gaussian processes. In this work, we propose Boundary Ehrenpreis--Palamodov Gaussian Processes (B-EPGPs), a novel probabilistic framework for constructing GP priors that satisfy both general systems of linear PDEs with constant coefficients and linear boundary conditions and can be conditioned on a finite data set. We explicitly construct GP priors for representative PDE systems with practical boundary conditions. Formal proofs of correctness are provided and empirical results demonstrating significant accuracy and computational resource improvements over state-of-the-art approaches.