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Generalized Bayesian quadrature with spectral kernels
Proceedings of the Thirty-Eighth Conference on Uncertainty in Artificial Intelligence, PMLR 180:2085-2095, 2022.
Abstract
Bayesian probabilistic integration, or Bayesian quadrature (BQ), has arisen as a popular means of numerical integral estimation with quantified uncertainty for problems where computational cost limits data availability. BQ leverages flexible Gaussian processes (GPs) to model an integrand which can be subsequently analytically integrated through properties of Gaussian distributions. However, BQ is inherently limited by the fact that the method relies on the use of a strict set of kernels for use in the GP model of the integrand, reducing the flexibility of the method in modeling varied integrand types. In this paper, we present spectral Bayesian quadrature, a form of Bayesian quadrature that allows for the use of any shift-invariant kernel in the integrand GP model while still maintaining the analytical tractability of the integral posterior, increasing the flexibility of BQ methods to address varied problem settings. Additionally our method enables integration with respect to a uniform expectation, effectively computing definite integrals of challenging integrands. We derive the theory and error bounds for this model, as well as demonstrate GBQ’s improved accuracy, flexibility, and data efficiency, compared to traditional BQ and other numerical integration methods, on a variety of quadrature problems.