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Choosing Observation Operators to Mitigate Model Error in Bayesian Inverse Problems 在贝叶斯逆问题中选择观测操作符以减少模型误差
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-10 DOI: 10.1137/23m1602140
Nada Cvetković, Han Cheng Lie, Harshit Bansal, Karen Veroy
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 3, Page 723-758, September 2024.
Abstract.In statistical inference, a discrepancy between the parameter-to-observable map that generates the data and the parameter-to-observable map that is used for inference can lead to misspecified likelihoods and thus to incorrect estimates. In many inverse problems, the parameter-to-observable map is the composition of a linear state-to-observable map called an “observation operator” and a possibly nonlinear parameter-to-state map called the “model.” We consider such Bayesian inverse problems where the discrepancy in the parameter-to-observable map is due to the use of an approximate model that differs from the best model, i.e., to nonzero “model error.” Multiple approaches have been proposed to address such discrepancies, each leading to a specific posterior. We show how to use local Lipschitz stability estimates of posteriors with respect to likelihood perturbations to bound the Kullback–Leibler divergence of the posterior of each approach with respect to the posterior associated to the best model. Our bounds lead to criteria for choosing observation operators that mitigate the effect of model error for Bayesian inverse problems of this type. We illustrate the feasibility of one such criterion on an advection-diffusion-reaction PDE inverse problem and use this example to discuss the importance and challenges of model error-aware inference.
SIAM/ASA《不确定性量化期刊》,第12卷,第3期,第723-758页,2024年9月。 摘要.在统计推断中,生成数据的参数-可观测映射与用于推断的参数-可观测映射之间的差异会导致似然值的错误规范,从而导致不正确的估计。在许多反演问题中,参数-可观测映射是一个称为 "观测算子 "的线性状态-可观测映射和一个称为 "模型 "的可能非线性参数-状态映射的组合。我们考虑的这类贝叶斯逆问题中,参数到可观测图的差异是由于使用了与最佳模型不同的近似模型,即非零 "模型误差 "造成的。为解决这种差异,人们提出了多种方法,每种方法都会导致特定的后验。我们展示了如何利用后验相对于似然扰动的局部 Lipschitz 稳定性估计来约束每种方法的后验相对于最佳模型相关后验的 Kullback-Leibler 分歧。我们的界限为选择观测算子提供了标准,从而减轻了贝叶斯逆问题中模型误差的影响。我们在一个平流-扩散-反应 PDE 逆问题上说明了这种标准的可行性,并用这个例子讨论了模型误差感知推理的重要性和挑战。
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引用次数: 0
Proportional Marginal Effects for Global Sensitivity Analysis 全球敏感性分析的比例边际效应
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-26 DOI: 10.1137/22m153032x
Margot Herin, Marouane Il Idrissi, Vincent Chabridon, Bertrand Iooss
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 667-692, June 2024.
Abstract.Performing (variance-based) global sensitivity analysis (GSA) with dependent inputs has recently benefited from cooperative game theory concepts, leading to meaningful sensitivity indices suitable with dependent inputs. The “Shapley effects,” i.e., the Shapley values transposed to variance-based GSA problems, are an example of such indices. However, these indices exhibit a particular behavior that can be undesirable: an exogenous input (i.e., which is not explicitly included in the structural equations of the model) can be associated with a strictly positive index when it is correlated to endogenous inputs. This paper investigates using a different allocation, called the “proportional values” for GSA purposes. First, an extension of this allocation is proposed to make it suitable for variance-based GSA. A novel GSA index is then defined: the proportional marginal effect (PME). The notion of exogeneity is formally defined in the context of variance-based GSA. It is shown that the PMEs are more discriminant than the Shapley values and allow the distinction of exogenous variables, even when they are correlated to endogenous inputs. Moreover, their behavior is compared to the Shapley effects on analytical toy cases and more realistic use cases.
SIAM/ASA 不确定性量化期刊》,第 12 卷,第 2 期,第 667-692 页,2024 年 6 月。 摘要.最近,利用合作博弈论概念对依赖性输入进行(基于方差的)全局灵敏度分析(GSA)已获益匪浅,从而产生了适合依赖性输入的有意义的灵敏度指数。夏普利效应",即基于方差的 GSA 问题的夏普利值,就是此类指数的一个例子。然而,这些指数表现出一种可能不可取的特殊行为:当外生性输入(即未明确包含在模型结构方程中)与内生性输入相关时,外生性输入可能与严格的正指数相关联。本文研究了一种不同的分配方法,为 GSA 目的称之为 "比例值"。首先,本文提出了该分配的扩展方案,使其适用于基于方差的 GSA。然后定义了一种新的 GSA 指数:比例边际效应(PME)。在基于方差的 GSA 的背景下,正式定义了外生性概念。结果表明,PME 比 Shapley 值更具区分性,即使外生变量与内生输入相关,也能区分外生变量。此外,在分析玩具案例和更现实的使用案例中,它们的行为与夏普利效应进行了比较。
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引用次数: 0
A Combination Technique for Optimal Control Problems Constrained by Random PDEs 受随机 PDE 约束的最优控制问题的组合技术
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-26 DOI: 10.1137/22m1532263
Fabio Nobile, Tommaso Vanzan
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 693-721, June 2024.
Abstract.We present a combination technique based on mixed differences of both spatial approximations and quadrature formulae for the stochastic variables to solve efficiently a class of optimal control problems (OCPs) constrained by random partial differential equations. The method requires to solve the OCP for several low-fidelity spatial grids and quadrature formulae for the objective functional. All the computed solutions are then linearly combined to get a final approximation which, under suitable regularity assumptions, preserves the same accuracy of fine tensor product approximations, while drastically reducing the computational cost. The combination technique involves only tensor product quadrature formulae, and thus the discretized OCPs preserve the (possible) convexity of the continuous OCP. Hence, the combination technique avoids the inconveniences of multilevel Monte Carlo and/or sparse grids approaches but remains suitable for high-dimensional problems. The manuscript presents an a priori procedure to choose the most important mixed differences and an analysis stating that the asymptotic complexity is exclusively determined by the spatial solver. Numerical experiments validate the results.
SIAM/ASA 不确定性量化期刊》,第 12 卷第 2 期,第 693-721 页,2024 年 6 月。 摘要.我们提出了一种基于空间近似和随机变量正交公式混合差分的组合技术,用于高效求解一类受随机偏微分方程约束的最优控制问题(OCP)。该方法需要求解多个低保真空间网格的 OCP 和目标函数的正交公式。然后,将所有计算出的解进行线性组合,得到最终近似值,在适当的正则性假设下,该近似值与精细张量乘积近似值的精度相同,同时大大降低了计算成本。组合技术只涉及张量乘正交公式,因此离散的 OCP 保持了连续 OCP 的(可能)凸性。因此,组合技术避免了多级蒙特卡罗和/或稀疏网格方法的不便之处,但仍适用于高维问题。手稿介绍了选择最重要混合差分的先验程序,并分析指出渐进复杂性完全由空间求解器决定。数值实验验证了这些结果。
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引用次数: 0
Generalized Bayesian MARS: Tools for Stochastic Computer Model Emulation 广义贝叶斯 MARS:随机计算机模型仿真工具
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-20 DOI: 10.1137/23m1577122
Kellin N. Rumsey, Devin Francom, Andy Shen
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 646-666, June 2024.
Abstract. The multivariate adaptive regression spline (MARS) approach of Friedman [J. H. Friedman, Ann. Statist., 19 (1991), pp. 1–67] and its Bayesian counterpart [D. Francom et al., Statist. Sinica, 28 (2018), pp. 791–816] are effective approaches for the emulation of computer models. The traditional assumption of Gaussian errors limits the usefulness of MARS, and many popular alternatives, when dealing with stochastic computer models. We propose a generalized Bayesian MARS (GBMARS) framework which admits the broad class of generalized hyperbolic distributions as the induced likelihood function. This allows us to develop tools for the emulation of stochastic simulators which are parsimonious, scalable, and interpretable and require minimal tuning, while providing powerful predictive and uncertainty quantification capabilities. GBMARS is capable of robust regression with t distributions, quantile regression with asymmetric Laplace distributions, and a general form of “Normal-Wald” regression in which the shape of the error distribution and the structure of the mean function are learned simultaneously. We demonstrate the effectiveness of GBMARS on various stochastic computer models, and we show that it compares favorably to several popular alternatives.
SIAM/ASA 不确定性量化期刊》第 12 卷第 2 期第 646-666 页,2024 年 6 月。 摘要。弗里德曼的多变量自适应回归样条线(MARS)方法[J. H. Friedman, Ann. Statist., 19 (1991), pp.在处理随机计算机模型时,传统的高斯误差假设限制了 MARS 以及许多流行的替代方法的实用性。我们提出了一种广义贝叶斯 MARS(GBMARS)框架,它允许将广义双曲分布作为诱导似然函数。这使我们能够开发出用于模拟随机模拟器的工具,这些工具简洁、可扩展、可解释,只需最小的调整,同时提供强大的预测和不确定性量化能力。GBMARS 能够进行 t 分布的稳健回归、非对称拉普拉斯分布的量子回归,以及 "Normal-Wald "回归的一般形式,其中误差分布的形状和均值函数的结构是同时学习的。我们在各种随机计算机模型上演示了 GBMARS 的有效性,并表明它优于几种流行的替代方法。
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引用次数: 0
One-Shot Learning of Surrogates in PDE-Constrained Optimization under Uncertainty 不确定性条件下 PDE 受限优化中代用物的一次性学习
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-12 DOI: 10.1137/23m1553170
Philipp A. Guth, Claudia Schillings, Simon Weissmann
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 614-645, June 2024.
Abstract.We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control problem. Our approach relies on a reformulation of the problem as a penalized empirical risk minimization problem for which we provide a consistency analysis in terms of large data and increasing penalty parameter. To solve the resulting problem, we suggest a stochastic gradient method with adaptive control of the penalty parameter and prove convergence under suitable assumptions on the surrogate model. Numerical experiments illustrate the results for linear and nonlinear surrogate models.
SIAM/ASA 不确定性量化期刊》,第 12 卷,第 2 期,第 614-645 页,2024 年 6 月。 摘要:我们提出了一个基于机器学习的不确定性优化通用框架。我们的方法用代用模型取代了复杂的前向模型,在求解最优控制问题时,代用模型在一次学习的意义上被同时学习。我们的方法依赖于将问题重新表述为一个受惩罚的经验风险最小化问题,我们从大数据和增加惩罚参数的角度对该问题进行了一致性分析。为了解决由此产生的问题,我们提出了一种对惩罚参数进行自适应控制的随机梯度法,并证明了在代用模型的适当假设条件下的收敛性。数值实验说明了线性和非线性代用模型的结果。
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引用次数: 0
Differential Equation–Constrained Optimization with Stochasticity 带随机性的微分方程约束优化
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-07 DOI: 10.1137/23m1571162
Qin Li, Li Wang, Yunan Yang
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 549-578, June 2024.
Abstract.Most inverse problems from physical sciences are formulated as PDE-constrained optimization problems. This involves identifying unknown parameters in equations by optimizing the model to generate PDE solutions that closely match measured data. The formulation is powerful and widely used in many science and engineering fields. However, one crucial assumption is that the unknown parameter must be deterministic. In reality, however, many problems are stochastic in nature, and the unknown parameter is random. The challenge then becomes recovering the full distribution of this unknown random parameter. It is a much more complex task. In this paper, we examine this problem in a general setting. In particular, we conceptualize the PDE solver as a push-forward map that pushes the parameter distribution to the generated data distribution. In this way, the SDE-constrained optimization translates to minimizing the distance between the generated distribution and the measurement distribution. We then formulate a gradient flow equation to seek the ground-truth parameter probability distribution. This opens up a new paradigm for extending many techniques in PDE-constrained optimization to optimization for systems with stochasticity.
SIAM/ASA 不确定性量化期刊》,第 12 卷,第 2 期,第 549-578 页,2024 年 6 月。 摘要:物理科学中的大多数反演问题都被表述为 PDE 约束优化问题。这涉及通过优化模型来确定方程中的未知参数,从而生成与测量数据密切匹配的 PDE 解。这种表述方式功能强大,广泛应用于许多科学和工程领域。然而,一个关键的假设是未知参数必须是确定的。然而,在现实中,许多问题本质上是随机的,未知参数是随机的。这样一来,挑战就变成了恢复这个未知随机参数的完整分布。这是一项复杂得多的任务。在本文中,我们将在一般情况下研究这一问题。特别是,我们将 PDE 求解器概念化为一个前推映射,将参数分布推向生成的数据分布。这样,SDE 约束优化就转化为最小化生成分布与测量分布之间的距离。然后,我们提出一个梯度流方程,以寻求地面实况参数概率分布。这开辟了一种新的范式,可将 PDE 约束优化中的许多技术扩展到具有随机性的系统优化中。
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引用次数: 0
Quantifying the Effect of Random Dispersion for Logarithmic Schrödinger Equation 量化随机分散对对数薛定谔方程的影响
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-07 DOI: 10.1137/23m1578619
Jianbo Cui, Liying Sun
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 579-613, June 2024.
Abstract.This paper is concerned with the random effect of the noise dispersion for the stochastic logarithmic Schrödinger equation emerged from the optical fibre with dispersion management. The well-posedness of the logarithmic Schrödinger equation with white noise dispersion is established via the regularization energy approximation and a spatial scaling property. For the small noise case, the effect of the noise dispersion is quantified by the proven large deviation principle under additional regularity assumptions on the initial datum. As an application, we show that for the regularized model, the exit from a neighborhood of the attractor of deterministic equation occurs on a sufficiently large time scale. Furthermore, the exit time and exit point in the small noise case, as well as the effect of large noise dispersion, is also discussed for the stochastic logarithmic Schrödinger equation.
SIAM/ASA 不确定性量化期刊》第 12 卷第 2 期第 579-613 页,2024 年 6 月。 摘要.本文关注的是光纤随机对数薛定谔方程的噪声色散随机效应与色散管理。通过正则化能量近似和空间缩放特性,建立了具有白噪声色散的对数薛定谔方程的良好拟合。对于小噪声情况,在初始基准的附加正则性假设下,噪声离散的影响通过已证明的大偏差原理得到量化。作为应用,我们证明了对于正则化模型,确定性方程的吸引子邻域的退出发生在足够大的时间尺度上。此外,我们还讨论了随机对数薛定谔方程在小噪声情况下的退出时间和退出点,以及大噪声离散的影响。
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引用次数: 0
Computationally Efficient Sampling Methods for Sparsity Promoting Hierarchical Bayesian Models 促进稀疏性的层次贝叶斯模型的计算高效采样方法
IF 2 3区 工程技术 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-06-07 DOI: 10.1137/23m1564043
D. Calvetti, E. Somersalo
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 524-548, June 2024.
Abstract.Bayesian hierarchical models have been demonstrated to provide efficient algorithms for finding sparse solutions to ill-posed inverse problems. The models comprise typically a conditionally Gaussian prior model for the unknown, augmented by a hyperprior model for the variances. A widely used choice for the hyperprior is a member of the family of generalized gamma distributions. Most of the work in the literature has concentrated on numerical approximation of the maximum a posteriori estimates, and less attention has been paid on sampling methods or other means for uncertainty quantification. Sampling from the hierarchical models is challenging mainly for two reasons: The hierarchical models are typically high dimensional, thus suffering from the curse of dimensionality, and the strong correlation between the unknown of interest and its variance can make sampling rather inefficient. This work addresses mainly the first one of these obstacles. By using a novel reparametrization, it is shown how the posterior distribution can be transformed into one dominated by a Gaussian white noise, allowing sampling by using the preconditioned Crank–Nicholson (pCN) scheme that has been shown to be efficient for sampling from distributions dominated by a Gaussian component. Furthermore, a novel idea for speeding up the pCN in a special case is developed, and the question of how strongly the hierarchical models are concentrated on sparse solutions is addressed in light of a computed example.
SIAM/ASA Journal on Uncertainty Quantification,第12卷,第2期,第524-548页,2024年6月。 摘要.贝叶斯层次模型已被证明能提供高效算法,用于寻找问题逆问题的稀疏解。这些模型通常由未知数的条件高斯先验模型和方差的超先验模型组成。超先验模型广泛使用的是广义伽马分布系列中的一个成员。文献中的大部分工作都集中在最大后验估计值的数值近似上,而较少关注不确定性量化的抽样方法或其他手段。从层次模型中取样具有挑战性,主要有两个原因:分层模型通常维度很高,因此会受到维度诅咒的影响,而且相关未知数与其方差之间的强相关性会使抽样效率相当低。这项研究主要解决了第一个障碍。通过使用一种新颖的重参数化方法,证明了如何将后验分布转化为由高斯白噪声主导的分布,从而可以使用预处理克兰-尼科尔森(pCN)方案进行采样,该方案已被证明可以高效地从由高斯成分主导的分布中进行采样。此外,我们还提出了一个在特殊情况下加快 pCN 速度的新想法,并根据一个计算实例探讨了分层模型在多大程度上集中于稀疏解的问题。
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引用次数: 0
Quantifying Domain Uncertainty in Linear Elasticity 量化线性弹性中的领域不确定性
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2024-05-30 DOI: 10.1137/23m1578589
Helmut Harbrecht, Viacheslav Karnaev, Marc Schmidlin
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 503-523, June 2024.
Abstract.The present article considers the quantification of uncertainty for the equations of linear elasticity on random domains. To this end, we model the random domains as the images of some given fixed, nominal domain under random domain mappings, which are defined by a Karhunen–Loève expansion. We then prove the analytic regularity of the random solution with respect to the countable random input parameters which enter the problem through the Karhunen–Loève expansion of the random domain mappings. In particular, we provide appropriate bounds on arbitrary derivatives of the random solution with respect to those input parameters. These enable the use of state-of-the-art quadrature methods to compute deterministic statistics of quantities of interest, such as the mean and the variance of the random solution itself or the random von Mises stress, as integrals over the countable random input parameters in a dimensionally robust way. Numerical examples qualify and quantify the theoretical findings.
SIAM/ASA 不确定性量化期刊》,第 12 卷,第 2 期,第 503-523 页,2024 年 6 月。 摘要.本文考虑了随机域上线性弹性方程的不确定性量化问题。为此,我们将随机域建模为随机域映射下某些给定固定标称域的图像,随机域映射由卡尔胡宁-洛埃夫展开定义。然后,我们证明了随机解相对于可数随机输入参数的解析正则性,这些参数通过随机域映射的 Karhunen-Loève 扩展进入问题。特别是,我们为随机解相对于这些输入参数的任意导数提供了适当的约束。这样就可以使用最先进的正交方法,以稳健的维度方式计算相关量的确定性统计,如随机解本身的均值和方差或随机 von Mises 应力,作为对可数随机输入参数的积分。数值示例证实并量化了理论发现。
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引用次数: 0
Conglomerate Multi-fidelity Gaussian Process Modeling, with Application to Heavy-Ion Collisions 集合体多保真高斯过程建模,应用于重离子碰撞
IF 2 3区 工程技术 Q1 Mathematics Pub Date : 2024-05-30 DOI: 10.1137/22m1525004
Yi Ji, Henry Shaowu Yuchi, Derek Soeder, J.-F. Paquet, Steffen A. Bass, V. Roshan Joseph, C. F. Jeff Wu, Simon Mak
SIAM/ASA Journal on Uncertainty Quantification, Volume 12, Issue 2, Page 473-502, June 2024.
Abstract.In an era where scientific experimentation is often costly, multi-fidelity emulation provides a powerful tool for predictive scientific computing. While there has been notable work on multi-fidelity modeling, existing models do not incorporate an important “conglomerate” property of multi-fidelity simulators, where the accuracies of different simulator components are controlled by different fidelity parameters. Such conglomerate simulators are widely encountered in complex nuclear physics and astrophysics applications. We thus propose a new CONglomerate multi-FIdelity Gaussian process (CONFIG) model, which embeds this conglomerate structure within a novel non-stationary covariance function. We show that the proposed CONFIG model can capture prior knowledge on the numerical convergence of conglomerate simulators, which allows for cost-efficient emulation of multi-fidelity systems. We demonstrate the improved predictive performance of CONFIG over state-of-the-art models in a suite of numerical experiments and two applications, the first for emulation of cantilever beam deflection and the second for emulating the evolution of the quark-gluon plasma, which was theorized to have filled the universe shortly after the Big Bang.
SIAM/ASA《不确定性量化期刊》第12卷第2期第473-502页,2024年6月。 摘要.在科学实验往往成本高昂的时代,多保真模拟为预测性科学计算提供了一个强大的工具。虽然在多保真度建模方面已经取得了显著的成果,但现有模型并没有纳入多保真度模拟器的一个重要 "集合体 "特性,即不同模拟器组件的精度由不同的保真度参数控制。在复杂的核物理和天体物理学应用中,这种集合模拟器被广泛使用。因此,我们提出了一种新的 CONglomerate 多 FIdelity 高斯过程(CONFIG)模型,它将这种集合体结构嵌入到一个新颖的非稳态协方差函数中。我们的研究表明,所提出的 CONFIG 模型可以捕捉到有关集合体模拟器数值收敛性的先验知识,从而实现具有成本效益的多保真度系统仿真。我们在一组数值实验和两个应用中展示了 CONFIG 比最先进模型更好的预测性能,第一个应用是模拟悬臂梁偏转,第二个应用是模拟夸克-胶子等离子体的演化,理论上夸克-胶子等离子体在宇宙大爆炸后不久就充满了宇宙。
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引用次数: 0
期刊
Siam-Asa Journal on Uncertainty Quantification
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