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Variational multiple shooting for Bayesian ODEs with Gaussian processes

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Recent machine learning advances have proposed black-box estimation of unknown continuous-time system dynamics directly from data. However, earlier works are based on approximative ODE solutions or point estimates. We propose a novel Bayesian nonparametric model that uses Gaussian processes to infer posteriors of unknown ODE systems directly from data. We derive sparse variational inference with decoupled functional sampling to represent vector field posteriors. We also introduce a probabilistic shooting augmentation to enable efficient inference from arbitrarily long trajectories. The method demonstrates the benefit of computing vector field posteriors, with predictive uncertainty scores outperforming alternative methods on multiple ODE learning tasks.

Pashupati Hegde, \c{C}a\u{g}atay Y{\i}ld{\i}z, Harri L\"ahdesm\"aki, Samuel Kaski, Markus Heinonen• 2021

Related benchmarks

TaskDatasetResultRank
ForecastingVDP Task 1: Uniformly Spaced fixed noise seed (test)
MSE0.13
11
ForecastingVDP Task 2 Irregular Times fixed noise seed (test)
MSE0.21
11
ImputationFHN (FitzHugh Nagumo) missing-data regime (test)
MSE0.07
11
Dynamics PredictionCMU MoCap Subject 35 (test)
MSE (short)10.11
9
Dynamics PredictionCMU MoCap Subject 39 (test)
MSE (short)26.72
9
Dynamics PredictionCMU MoCap Subject 09 (test)
MSE (short horizon)9.11
9
Dynamics ModelingBouncing Balls No Noise frictionless square box in 2D (test)
MSE23.9
2
Dynamics ModelingBouncing Balls Low Noise frictionless square box in 2D (test)
MSE23.6
2
Dynamics ModelingBouncing Balls High Noise frictionless square box in 2D (test)
MSE24.5
2
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