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arXiv 1602.00853math.OCmath.STstat.MLstat.TH
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高斯过程正则化方法的解析比较

An analytic comparison of regularization methods for Gaussian Processes

Hossein Mohammadi, Rodolphe Le Riche, Nicolas Durrande, Eric Touboul, Xavier Bay

摘要:

高斯过程(GP)是一种流行的方法来预测参数化实验的输出。它们在计算机实验领域有着广泛的应用,特别是在进行灵敏度分析、自适应实验设计和全局优化等方面。几乎所有的应用程序的全球定位系统需要逆的协方差阵,在实践中,往往是病态的。正则化方法,然后使用的GP,需要更好地理解的后果。两个主要的方法来处理病态的协方差阵是i)伪逆和ii)添加一个正的常数的对角线(所谓的块金正则化)。本文的第一部分提供了一个代数比较PI和块金正则化。定义了导致协方差阵奇异的冗余点。证明了伪逆正则化与块金正则化相反,它平均了输出值,并使冗余点处的方差为零。然而,伪逆正则化和块金正则化在块金值为零时变得等价。提出了一种用于选择正则化技术的数据模型差异的度量。在本文的第二部分中,引入了一种分布型GP,它插值高斯分布而不是数据点。分布式GP可以看作是GP的一种改进的正则化方法。

英文摘要:

Gaussian Processes (GPs) are a popular approach to predict the output of a parameterized experiment. They have many applications in the field of Computer Experiments, in particular to perform sensitivity analysis, adaptive design of experiments and global optimization. Nearly all of the applications of GPs require the inversion of a covariance matrix that, in practice, is often ill-conditioned. Regularization methodologies are then employed with consequences on the GPs that need to be better understood.The two principal methods to deal with ill-conditioned covariance matrices are i) pseudoinverse and ii) adding a positive constant to the diagonal (the so-called nugget regularization).The first part of this paper provides an algebraic comparison of PI and nugget regularizations. Redundant points, responsible for covariance matrix singularity, are defined. It is proven that pseudoinverse regularization, contrarily to nugget regularization, averages the output values and makes the variance zero at redundant points. However, pseudoinverse and nugget regularizations become equivalent as the nugget value vanishes. A measure for data-model discrepancy is proposed which serves for choosing a regularization technique.In the second part of the paper, a distribution-wise GP is introduced that interpolates Gaussian distributions instead of data points. Distribution-wise GP can be seen as an improved regularization method for GPs.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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