A Probabilistic State Space Model for Joint Inference from Differential Equations and Data
Jonathan Schmidt, Nicholas Krämer, Philipp Hennig
Abstract
Mechanistic models with differential equations are a key component of scientific applications of machine learning. Inference in such models is usually computationally demanding, because it involves repeatedly solving the differential equation. The main problem here is that the numerical solver is hard to combine with standard inference techniques. Recent work in probabilistic numerics has developed a new class of solvers for ordinary differential equations (ODEs) that phrase the solution process directly in terms of Bayesian filtering. We here show that this allows such methods to be combined very directly, with conceptual and numerical ease, with latent force models in the ODE itself. It then becomes possible to perform approximate Bayesian inference on the latent force as well as the ODE solution in a single, linear complexity pass of an extended Kalman filter / smoother -that is, at the cost of computing a single ODE solution. We demonstrate the expressiveness and performance of the algorithm by training, among others, a non-parametric SIRD model on data from the COVID-19 outbreak. This work describes an algorithm that merges mechanistic knowledge in the form of an ODE with a non-parametric model over the parameters controlling the ODE -a latent force that represents quantities of interest. The algorithm then infers a trajectory that is informed 35th Conference on Neural Information Processing Systems (NeurIPS 2021).
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Cited by top-tier papers11
- All-in-one simulation-based inferenceManuel Glöckler, Michael Deistler, Christian Dietrich Weilbach, Frank Wood et al.ICML 2024 · 74 citations
- Gaussian Process Priors for Systems of Linear Partial Differential Equations with Constant CoefficientsMarc Härkönen, Markus Lange-Hegermann, Bogdan RaitaICML 2023 · 29 citations
- Constraining Gaussian Processes to Systems of Linear Ordinary Differential EquationsAndreas Besginow, Markus Lange-HegermannNeurIPS 2022 · 22 citations
- Probabilistic ODE Solutions in Millions of DimensionsNicholas Krämer, Nathanael Bosch, Jonathan Schmidt, Philipp HennigICML 2022 · 21 citations
- Physics-Informed Variational State-Space Gaussian ProcessesOliver Hamelijnck, Arno Solin, Theodoros DamoulasNeurIPS 2024 · 12 citations
Builds on2
- ODIN: ODE-Informed Regression for Parameter and State Inference in Time-Continuous Dynamical SystemsPhilippe Wenk, Gabriele Abbati, Michael A. Osborne, Bernhard Schölkopf et al.AAAI 2020 · 33 citations
- Differentiable Likelihoods for Fast Inversion of 'Likelihood-Free' Dynamical SystemsHans Kersting, Nicholas Krämer, Martin Schiegg, Christian Daniel et al.ICML 2020 · 22 citations
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