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Finite Sample Approximations of Exact and Entropic Wasserstein Distances Between Covariance Operators and Gaussian Processes 协方差算子与高斯过程之间精确和熵Wasserstein距离的有限样本逼近
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2022-01-01 DOI: 10.1137/21m1410488
H. Q. Minh
This work studies finite sample approximations of the exact and entropic regularized Wasserstein distances between centered Gaussian processes and, more generally, covariance operators of functional random processes. We first show that these distances/divergences are fully represented by reproducing kernel Hilbert space (RKHS) covariance and cross-covariance operators associated with the corresponding covariance functions. Using this representation, we show that the Sinkhorn divergence between two centered Gaussian processes can be consistently and efficiently estimated from the divergence between their corresponding normalized finite-dimensional covariance matrices, or alternatively, their sample covariance operators. Consequently, this leads to a consistent and efficient algorithm for estimating the Sinkhorn divergence from finite samples generated by the two processes. For a fixed regularization parameter, the convergence rates are {it dimension-independent} and of the same order as those for the Hilbert-Schmidt distance. If at least one of the RKHS is finite-dimensional, we obtain a {it dimension-dependent} sample complexity for the exact Wasserstein distance between the Gaussian processes.
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引用次数: 2
Landmark-Warped Emulators for Models with Misaligned Functional Response 具有失调功能响应的模型的地标弯曲仿真器
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2022-01-01 DOI: 10.1137/20m135279x
Devin Francom, B. Sansó, A. Kupresanin
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引用次数: 2
A Generalized Kernel Method for Global Sensitivity Analysis 全局灵敏度分析的广义核方法
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2022-01-01 DOI: 10.1137/20m1354829
John Barr, H. Rabitz
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引用次数: 5
A Variational Inference Approach to Inverse Problems with Gamma Hyperpriors Gamma超先验反问题的变分推理方法
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-11-26 DOI: 10.1137/21m146209x
Shivendra Agrawal, Hwanwoo Kim, D. Sanz-Alonso, A. Strang
Hierarchical models with gamma hyperpriors provide a flexible, sparse-promoting framework to bridge L1 and L2 regularizations in Bayesian formulations to inverse problems. Despite the Bayesian motivation for these models, existing methodologies are limited to maximum a posteriori estimation. The potential to perform uncertainty quantification has not yet been realized. This paper introduces a variational iterative alternating scheme for hierarchical inverse problems with gamma hyperpriors. The proposed variational inference approach yields accurate reconstruction, provides meaningful uncertainty quantification, and is easy to implement. In addition, it lends itself naturally to conduct model selection for the choice of hyperparameters. We illustrate the performance of our methodology in several computed examples, including a deconvolution problem and sparse identification of dynamical systems from time series data.
具有超先验的层次模型提供了一个灵活的、促进稀疏的框架,将贝叶斯公式中的L1和L2正则化连接到反问题。尽管这些模型具有贝叶斯动机,但现有的方法仅限于最大限度地进行后验估计。进行不确定度量化的潜力尚未实现。本文介绍了一种变分迭代交替格式,用于求解具有超先验的分层反问题。所提出的变分推理方法重构准确,提供了有意义的不确定性量化,且易于实现。此外,对于超参数的选择,它可以很自然地进行模型选择。我们在几个计算示例中说明了我们的方法的性能,包括反卷积问题和从时间序列数据中稀疏识别动态系统。
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引用次数: 6
A Spline Dimensional Decomposition for Uncertainty Quantification in High Dimensions 高维不确定度量化的样条维数分解
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-11-25 DOI: 10.1137/20m1364175
S. Rahman, Ramin Jahanbin
This study debuts a new spline dimensional decomposition (SDD) for uncertainty quantification analysis of high-dimensional functions, including those endowed with high nonlinearity and nonsmoothness, if they exist, in a proficient manner. The decomposition creates an hierarchical expansion for an output random variable of interest with respect to measure-consistent orthonormalized basis splines (B-splines) in independent input random variables. A dimensionwise decomposition of a spline space into orthogonal subspaces, each spanned by a reduced set of such orthonormal splines, results in SDD. Exploiting the modulus of smoothness, the SDD approximation is shown to converge in mean-square to the correct limit. The computational complexity of the SDD method is polynomial, as opposed to exponential, thus alleviating the curse of dimensionality to the extent possible. Analytical formulae are proposed to calculate the second-moment properties of a truncated SDD approximation for a general output random variable in terms of the expansion coefficients involved. Numerical results indicate that a low-order SDD approximation of nonsmooth functions calculates the probabilistic characteristics of an output variable with an accuracy matching or surpassing those obtained by high-order approximations from several existing methods. Finally, a 34-dimensional random eigenvalue analysis demonstrates the utility of SDD in solving practical problems.
本研究提出了一种新的样条维数分解(SDD)方法,用于高维函数的不确定度量化分析,包括那些具有高非线性和非光滑的函数,如果它们存在的话。该分解为感兴趣的输出随机变量创建了相对于独立输入随机变量中测量一致的标准标准化基样条(b样条)的分层扩展。将样条空间按维分解为正交子空间,每个子空间由这样的正交样条的约简集张成,得到SDD。利用平滑模,SDD近似在均方中收敛到正确的极限。SDD方法的计算复杂度是多项式的,而不是指数的,因此可以最大程度地减轻维数的困扰。给出了用所涉及的展开系数计算一般输出随机变量截断SDD近似的二阶矩性质的解析公式。数值结果表明,非光滑函数的低阶SDD近似计算输出变量的概率特征,其精度与现有几种方法的高阶近似相匹配或优于。最后,一个34维随机特征值分析证明了SDD在解决实际问题中的效用。
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引用次数: 10
Statistical Finite Elements via Langevin Dynamics 基于朗格万动力学的统计有限元
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-09-28 DOI: 10.26226/morressier.612f6736bc98103724100846
Ö. D. Akyildiz, Connor Duffin, S. Sabanis, M. Girolami
The recent statistical finite element method (statFEM) provides a coherent statistical framework to synthesise finite element models with observed data. Through embedding uncertainty inside of the governing equations, finite element solutions are updated to give a posterior distribution which quantifies all sources of uncertainty associated with the model. However to incorporate all sources of uncertainty, one must integrate over the uncertainty associated with the model parameters, the known forward problem of uncertainty quantification. In this paper, we make use of Langevin dynamics to solve the statFEM forward problem, studying the utility of the unadjusted Langevin algorithm (ULA), a Metropolis-free Markov chain Monte Carlo sampler, to build a sample-based characterisation of this otherwise intractable measure. Due to the structure of the statFEM problem, these methods are able to solve the forward problem without explicit full PDE solves, requiring only sparse matrix-vector products. ULA is also gradient-based, and hence provides a scalable approach up to high degrees-of-freedom. Leveraging the theory behind Langevin-based samplers, we provide theoretical guarantees on sampler performance, demonstrating convergence, for both the prior and posterior, in the Kullback-Leibler divergence, and, in Wasserstein-2, with further results on the effect of preconditioning. Numerical experiments are also provided, for both the prior and posterior, to demonstrate the efficacy of the sampler, with a Python package also included.
最近的统计有限元方法(statFEM)提供了一个连贯的统计框架来综合具有观测数据的有限元模型。通过在控制方程中嵌入不确定性,更新有限元解以给出一个后验分布,该分布量化了与模型相关的所有不确定性来源。然而,为了纳入所有不确定性的来源,必须整合与模型参数相关的不确定性,即已知的不确定性量化的前向问题。在本文中,我们利用朗之万动力学来解决statFEM正演问题,研究了未调整朗之万算法(ULA)的实用性,一种无大都会马尔可夫链蒙特卡罗采样器,以建立一个基于样本的特征。由于statFEM问题的结构,这些方法无需显式的全PDE解即可求解正演问题,只需要稀疏矩阵向量积。ULA也是基于梯度的,因此提供了一种可扩展到高自由度的方法。利用基于langevin的采样器背后的理论,我们提供了采样器性能的理论保证,在Kullback-Leibler散度和Wasserstein-2中证明了先验和后验的收敛性,并进一步得到了预处理效果的结果。还提供了先验和后验的数值实验,以证明采样器的有效性,还包括Python包。
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引用次数: 6
Multifidelity Surrogate Modeling for Time-Series Outputs 时间序列输出的多保真代理建模
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-09-23 DOI: 10.1137/20m1386694
Baptiste Kerleguer
This paper considers the surrogate modeling of a complex numerical code in a multifidelity framework when the code output is a time series. Using an experimental design of the low-and high-fidelity code levels, an original Gaussian process regression method is proposed. The code output is expanded on a basis built from the experimental design. The first coefficients of the expansion of the code output are processed by a co-kriging approach. The last coefficients are collectively processed by a kriging approach with covariance tensorization. The resulting surrogate model taking into account the uncertainty in the basis construction is shown to have better performance in terms of prediction errors and uncertainty quantification than standard dimension reduction techniques.
本文研究了在多保真框架下,当编码输出为时间序列时,复杂数值编码的代理建模问题。通过对低保真度和高保真度码级的实验设计,提出了一种原始的高斯过程回归方法。代码输出是在实验设计的基础上扩展的。通过共同克里格方法处理码输出展开的第一个系数。最后的系数用克里格方法进行协方差张化处理。结果表明,考虑基构造不确定性的代理模型在预测误差和不确定性量化方面比标准降维技术具有更好的性能。
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引用次数: 1
Stochastic Normalizing Flows for Inverse Problems: a Markov Chains Viewpoint 逆问题的随机归一化流:一个马尔可夫链的观点
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-09-23 DOI: 10.1137/21M1450604
Paul Hagemann, J. Hertrich, G. Steidl
To overcome topological constraints and improve the expressiveness of normalizing flow architectures, Wu, K"ohler and No'e introduced stochastic normalizing flows which combine deterministic, learnable flow transformations with stochastic sampling methods. In this paper, we consider stochastic normalizing flows from a Markov chain point of view. In particular, we replace transition densities by general Markov kernels and establish proofs via Radon-Nikodym derivatives which allows to incorporate distributions without densities in a sound way. Further, we generalize the results for sampling from posterior distributions as required in inverse problems. The performance of the proposed conditional stochastic normalizing flow is demonstrated by numerical examples.
为了克服拓扑约束并提高归一化流架构的表达性,Wu, K ohler和No e引入了随机归一化流,该流将确定性、可学习的流转换与随机抽样方法相结合。本文从马尔可夫链的角度考虑随机归一化流问题。特别是,我们用一般的马尔可夫核取代过渡密度,并通过Radon-Nikodym导数建立证明,该导数允许以合理的方式合并没有密度的分布。进一步,我们推广了从后验分布中抽样的结果,作为反问题的需要。通过数值算例验证了所提条件随机归一化流的性能。
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引用次数: 24
Finite Element Representations of Gaussian Processes: Balancing Numerical and Statistical Accuracy 高斯过程的有限元表示:平衡数值和统计精度
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-09-06 DOI: 10.1137/21m144788x
D. Sanz-Alonso, Ruiyi Yang
The stochastic partial differential equation approach to Gaussian processes (GPs) represents Matérn GP priors in terms of 𝑛 finite element basis functions and Gaussian coefficients with sparse precision matrix. Such representations enhance the scalability of GP regression and classification to datasets of large size 𝑁 by setting 𝑛 ≈ 𝑁 and exploiting sparsity. In this paper we reconsider the standard choice 𝑛 ≈ 𝑁 through an analysis of the estimation performance. Our theory implies that, under certain smoothness assumptions, one can reduce the computation and memory cost without hindering the estimation accuracy by setting 𝑛 ≪ 𝑁 in the large 𝑁 asymptotics. Numerical experiments illustrate the applicability of our theory and the effect of the prior lengthscale in the pre-asymptotic regime.
高斯过程(GPs)的随机偏微分方程方法用𝑛有限元基函数和高斯系数的稀疏精度矩阵来表示mat n n GP先验。这样的表示通过设置𝑛≈抛掷和利用稀疏性,增强了GP回归和分类对大型数据集的可扩展性。在本文中,我们通过对估计性能的分析,重新考虑了标准选择𝑛≈二进制操作。我们的理论表明,在一定的平滑性假设下,可以通过设置𝑛在大的渐近曲线中≪倘使计算和存储成本降低而不影响估计精度。数值实验证明了本文理论的适用性和先验长度尺度在前渐近状态下的影响。
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引用次数: 11
Continuum Covariance Propagation for Understanding Variance Loss in Advective Systems 连续统协方差传播法在平流系统中理解方差损失
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2021-09-06 DOI: 10.1137/21m1442449
Shay Gilpin, T. Matsuo, S. Cohn
Motivated by the spurious variance loss encountered during covariance propagation in atmospheric and other large-scale data assimilation systems, we consider the problem for state dynamics governed by the continuity and related hyperbolic partial differential equations. This loss of variance is often attributed to reduced-rank representations of the covariance matrix, as in ensemble methods for example, or else to the use of dissipative numerical methods. Through a combination of analytical work and numerical experiments, we demonstrate that significant variance loss, as well as gain, typically occurs during covariance propagation, even at full rank. The cause of this unusual behavior is a discontinuous change in the continuum covariance dynamics as correlation lengths become small, for instance in the vicinity of sharp gradients in the velocity field. This discontinuity in the covariance dynamics arises from hyperbolicity: the diagonal of the kernel of the covariance operator is a characteristic surface for advective dynamics. Our numerical experiments demonstrate that standard numerical methods for evolving the state are not adequate for propagating the covariance, because they do not capture the discontinuity in the continuum covariance dynamics as correlations lengths tend to zero. Our analytical and numerical results demonstrate in the context of mass conservation that this leads to significant, spurious variance loss in regions of mass convergence and gain in regions of mass divergence. The results suggest that developing local covariance propagation methods designed specifically to capture covariance evolution near the diagonal may prove a useful alternative to current methods of covariance propagation.
考虑到协方差在大气和其他大规模数据同化系统中传播时所遇到的伪方差损失,我们考虑了由连续性和相关双曲偏微分方程控制的状态动力学问题。这种方差的损失通常归因于协方差矩阵的降阶表示,例如在集成方法中,或者是耗散数值方法的使用。通过分析工作和数值实验的结合,我们证明了显著的方差损失,以及增益,通常发生在协方差传播期间,即使在全秩。这种不寻常行为的原因是连续协方差动力学随着相关长度变小而发生不连续变化,例如在速度场的急剧梯度附近。协方差动力学中的这种不连续是由双曲性引起的:协方差算子核的对角线是平流动力学的特征面。我们的数值实验表明,用于演化状态的标准数值方法不足以传播协方差,因为它们不能捕捉连续统协方差动态中的不连续,因为相关长度趋于零。我们的分析和数值结果表明,在质量守恒的背景下,这会导致质量收敛区域的显著的、虚假的方差损失和质量发散区域的增益。结果表明,开发专门用于捕捉对角线附近协方差演化的局部协方差传播方法可能是当前协方差传播方法的有用替代方案。
{"title":"Continuum Covariance Propagation for Understanding Variance Loss in Advective Systems","authors":"Shay Gilpin, T. Matsuo, S. Cohn","doi":"10.1137/21m1442449","DOIUrl":"https://doi.org/10.1137/21m1442449","url":null,"abstract":"Motivated by the spurious variance loss encountered during covariance propagation in atmospheric and other large-scale data assimilation systems, we consider the problem for state dynamics governed by the continuity and related hyperbolic partial differential equations. This loss of variance is often attributed to reduced-rank representations of the covariance matrix, as in ensemble methods for example, or else to the use of dissipative numerical methods. Through a combination of analytical work and numerical experiments, we demonstrate that significant variance loss, as well as gain, typically occurs during covariance propagation, even at full rank. The cause of this unusual behavior is a discontinuous change in the continuum covariance dynamics as correlation lengths become small, for instance in the vicinity of sharp gradients in the velocity field. This discontinuity in the covariance dynamics arises from hyperbolicity: the diagonal of the kernel of the covariance operator is a characteristic surface for advective dynamics. Our numerical experiments demonstrate that standard numerical methods for evolving the state are not adequate for propagating the covariance, because they do not capture the discontinuity in the continuum covariance dynamics as correlations lengths tend to zero. Our analytical and numerical results demonstrate in the context of mass conservation that this leads to significant, spurious variance loss in regions of mass convergence and gain in regions of mass divergence. The results suggest that developing local covariance propagation methods designed specifically to capture covariance evolution near the diagonal may prove a useful alternative to current methods of covariance propagation.","PeriodicalId":56064,"journal":{"name":"Siam-Asa Journal on Uncertainty Quantification","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2021-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78940583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
期刊
Siam-Asa Journal on Uncertainty Quantification
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