使用分层矩阵实现可扩展的高斯过程计算
Scalable Gaussian Process Computations Using Hierarchical Matrices
AI总结:
本文提出了一种不依赖核的方法,利用分层矩阵解决高斯过程的最大似然估计问题,通过准线性复杂度O(n log²n)高效计算梯度、Hessian和期望Fisher信息矩阵。
摘要:
我们提出了一种不依赖核的方法,将分层矩阵应用于高斯过程的最大似然估计问题。所提出的近似方法提供了自然且可扩展的随机估计器,用于其梯度、Hessian以及期望Fisher信息矩阵,其计算复杂度为准线性O(n log²n),适用于广泛模型。为此,我们(i)选择特定的分层近似方法来计算协方差矩阵的精确导数,并(ii)使用一种稳定的Hutchinson随机迹估计器。由于观测和期望信息矩阵均可在准线性复杂度下计算,因此协方差矩阵对于最大似然估计(MLE)也可高效估计。在讨论相关数学后,我们展示了该方法的可扩展性,讨论了其实现细节,并验证了基于逆Fisher信息矩阵所得的MLE和置信区间与精确似然所得结果一致。
英文摘要:
We present a kernel-independent method that applies hierarchical matrices to the problem of maximum likelihood estimation for Gaussian processes. The proposed approximation provides natural and scalable stochastic estimators for its gradient and Hessian, as well as the expected Fisher information matrix, that are computable in quasilinear $O(n \log^2 n)$ complexity for a large range of models. To accomplish this, we (i) choose a specific hierarchical approximation for covariance matrices that enables the computation of their exact derivatives and (ii) use a stabilized form of the Hutchinson stochastic trace estimator. Since both the observed and expected information matrices can be computed in quasilinear complexity, covariance matrices for MLEs can also be estimated efficiently. After discussing the associated mathematics, we demonstrate the scalability of the method, discuss details of its implementation, and validate that the resulting MLEs and confidence intervals based on the inverse Fisher information matrix faithfully approach those obtained by the exact likelihood.
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