Bogdan Raiţă

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.

Dan DeGenaro, Xin Li, Obed Amo et al.

We introduce FLASH-MAX, a shallow, exact-by-construction neural network architecture for predicting homogeneous electromagnetic fields from sparse pointwise observations. Each hidden neuron represents a separate exact solution to Maxwell's equations, so that the network satisfies the governing equations symbolically by construction and can be trained end-to-end from sparse data within seconds. We prove a universal approximation result showing that this exact model class remains universal on arbitrary domains. FLASH-MAX reaches sub-1% relative validation error from about 1K sparse pointwise observations in seconds, all while maintaining a zero PDE residual, and keeps single-digit errors even for only 100 observations sampled from 3D space. These results suggest that moving governing structure from the loss into the hypothesis class can dramatically improve the trade-off between precision and optimization speed in scientific machine learning.

Obed Amo, Samit Ghosh, Markus Lange-Hegermann et al.

We present a new benchmarking study comparing a boundary-constrained Ehrenpreis--Palamodov Gaussian Process (B-EPGP) surrogate with a classical finite element method combined with Crank--Nicolson time stepping (CN-FEM) for solving the two-dimensional wave equation with homogeneous Dirichlet boundary conditions. The B-EPGP construction leverages exponential-polynomial bases derived from the characteristic variety to enforce the PDE and boundary conditions exactly and employs penalized least squares to estimate the coefficients. To ensure fairness across paradigms, we introduce a degrees-of-freedom (DoF) matching protocol. Under matched DoF, B-EPGP consistently attains lower space-time $L^2$-error and maximum-in-time $L^{2}$-error in space than CN-FEM, improving accuracy by roughly two orders of magnitude.

Xin Li, Markus Lange-Hegermann, Bogdan Raiţă

This paper introduces a computationally efficient algorithm in system theory for solving inverse problems governed by linear partial differential equations (PDEs). We model solutions of linear PDEs using Gaussian processes with priors defined based on advanced commutative algebra and algebraic analysis. The implementation of these priors is algorithmic and achieved using the Macaulay2 computer algebra software. An example application includes identifying the wave speed from noisy data for classical wave equations, which are widely used in physics. The method achieves high accuracy while enhancing computational efficiency.

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.