Physics Regularized Gaussian Processes

We consider incorporating incomplete physics knowledge, expressed as differential equations with latent functions, into Gaussian processes (GPs) to improve their performance, especially for limited data and extrapolation. While existing works have successfully encoded such knowledge via kernel convolution, they only apply to linear equations with analytical Green's functions. The convolution can further restrict us from fusing physics with highly expressive kernels, e.g., deep kernels. To overcome these limitations, we propose Physics Regularized Gaussian Process (PRGP) that can incorporate both linear and nonlinear equations, does not rely on Green's functions, and is free to use arbitrary kernels. Specifically, we integrate the standard GP with a generative model to encode the differential equation in a principled Bayesian hybrid framework. For efficient and effective inference, we marginalize out the latent variables and derive a simplified model evidence lower bound (ELBO), based on which we develop a stochastic collapsed inference algorithm. Our ELBO can be viewed as a posterior regularization objective. We show the advantage of our approach in both simulation and real-world applications.