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 kernel quadrature


Convergence guarantees for kernel-based quadrature rules in misspecified settings

Neural Information Processing Systems

Kernel-based quadrature rules are becoming important in machine learning and statistics, as they achieve super n convergence rates in numerical integration, and thus provide alternatives to Monte Carlo integration in challenging settings where integrands are expensive to evaluate or where integrands are high dimensional. These rules are based on the assumption that the integrand has a certain degree of smoothness, which is expressed as that the integrand belongs to a certain reproducing kernel Hilbert space (RKHS). However, this assumption can be violated in practice (e.g., when the integrand is a black box function), and no general theory has been established for the convergence of kernel quadratures in such misspecified settings. Our contribution is in proving that kernel quadratures can be consistent even when the integrand does not belong to the assumed RKHS, i.e., when the integrand is less smooth than assumed. Specifically, we derive convergence rates that depend on the (unknown) lesser smoothness of the integrand, where the degree of smoothness is expressed via powers of RKHSs or via Sobolev spaces.


Convergence guarantees for kernel-based quadrature rules in misspecified settings

Neural Information Processing Systems

Kernel-based quadrature rules are becoming important in machine learning and statistics, as they achieve super-$¥sqrt{n}$ convergence rates in numerical integration, and thus provide alternatives to Monte Carlo integration in challenging settings where integrands are expensive to evaluate or where integrands are high dimensional. These rules are based on the assumption that the integrand has a certain degree of smoothness, which is expressed as that the integrand belongs to a certain reproducing kernel Hilbert space (RKHS). However, this assumption can be violated in practice (e.g., when the integrand is a black box function), and no general theory has been established for the convergence of kernel quadratures in such misspecified settings. Our contribution is in proving that kernel quadratures can be consistent even when the integrand does not belong to the assumed RKHS, i.e., when the integrand is less smooth than assumed. Specifically, we derive convergence rates that depend on the (unknown) lesser smoothness of the integrand, where the degree of smoothness is expressed via powers of RKHSs or via Sobolev spaces.


Kernel Quadrature with Randomly Pivoted Cholesky Ethan N. Epperly and Elvira Moreno

Neural Information Processing Systems

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem.


Kernel Quadrature with Randomly Pivoted Cholesky

Neural Information Processing Systems

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem. Theoretical and numerical results show that randomly pivoted Cholesky is fast and achieves comparable quadrature error rates to more computationally expensive quadrature schemes based on continuous volume sampling, thinning, and recombination. Randomly pivoted Cholesky is easily adapted to complicated geometries with arbitrary kernels, unlocking new potential for kernel quadrature.


Kernel Quadrature with Randomly Pivoted Cholesky Ethan N. Epperly and Elvira Moreno

Neural Information Processing Systems

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem.



Fixing the Pitfalls of Probabilistic Time-Series Forecasting Evaluation by Kernel Quadrature

arXiv.org Machine Learning

Despite the significance of probabilistic time-series forecasting models, their evaluation metrics often involve intractable integrations. The most widely used metric, the continuous ranked probability score (CRPS), is a strictly proper scoring function; however, its computation requires approximation. We found that popular CRPS estimators--specifically, the quantile-based estimator implemented in the widely used GluonTS library and the probability-weighted moment approximation--both exhibit inherent estimation biases. These biases lead to crude approximations, resulting in improper rankings of forecasting model performance when CRPS values are close. To address this issue, we introduced a kernel quadrature approach that leverages an unbiased CRPS estimator and employs cubature construction for scalable computation. Empirically, our approach consistently outperforms the two widely used CRPS estimators.


Nested Expectations with Kernel Quadrature

arXiv.org Machine Learning

This paper considers the challenging computational task of estimating nested expectations. Existing algorithms, such as nested Monte Carlo or multilevel Monte Carlo, are known to be consistent but require a large number of samples at both inner and outer levels to converge. Instead, we propose a novel estimator consisting of nested kernel quadrature estimators and we prove that it has a faster convergence rate than all baseline methods when the integrands have sufficient smoothness. We then demonstrate empirically that our proposed method does indeed require fewer samples to estimate nested expectations on real-world applications including Bayesian optimisation, option pricing, and health economics.


Kernel Quadrature with Randomly Pivoted Cholesky

Neural Information Processing Systems

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem. Theoretical and numerical results show that randomly pivoted Cholesky is fast and achieves comparable quadrature error rates to more computationally expensive quadrature schemes based on continuous volume sampling, thinning, and recombination. Randomly pivoted Cholesky is easily adapted to complicated geometries with arbitrary kernels, unlocking new potential for kernel quadrature.


Convergence guarantees for kernel-based quadrature rules in misspecified settings The Institute of Statistical Mathematics, Tokyo 190-8562, Japan

Neural Information Processing Systems

Kernel-based quadrature rules are becoming important in machine learning and statistics, as they achieve super-n convergence rates in numerical integration, and thus provide alternatives to Monte Carlo integration in challenging settings where integrands are expensive to evaluate or where integrands are high dimensional. These rules are based on the assumption that the integrand has a certain degree of smoothness, which is expressed as that the integrand belongs to a certain reproducing kernel Hilbert space (RKHS). However, this assumption can be violated in practice (e.g., when the integrand is a black box function), and no general theory has been established for the convergence of kernel quadratures in such misspecified settings. Our contribution is in proving that kernel quadratures can be consistent even when the integrand does not belong to the assumed RKHS, i.e., when the integrand is less smooth than assumed. Specifically, we derive convergence rates that depend on the (unknown) lesser smoothness of the integrand, where the degree of smoothness is expressed via powers of RKHSs or via Sobolev spaces.