基于生成模型的参数估计和不确定性量化框架应用于流行病学中的分区模型

IF 3.1 3区 计算机科学 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Vinicius L.S. Silva , Claire E. Heaney , Nenko Nenov , Christopher C. Pain
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引用次数: 0

摘要

我们提出了一种新方法,即在还原阶模型(ROM)框架内使用生成网络(GN)集来解决偏微分方程(PDE)的逆问题。其目的是匹配可用的测量数据,并估计与数值物理模拟的状态和参数相关的相应不确定性。我们仅使用离散 PDE 模型的无条件模拟来训练 GN。这里使用 GN 是为了利用这些方法从复杂概率分布(如代表物理问题可能状态和参数的概率分布)生成真实输出的能力。我们将提议的方法与黄金标准马尔科夫链蒙特卡罗(MCMC)进行了比较。此外,我们还建议使用一种新型的时间步进正则化来提高物理解决方案的代表性,并提出了一种利用真实/生成样本结构来评估 GN 训练的新方法。我们将提出的方法应用于流行病学中的时空分区模型。结果表明,所提出的基于 GN 的 ROM 可以有效量化不确定性,并准确匹配测量结果和金标准。只需对全阶数值 PDE 模型进行数量有限的无条件模拟(40 次模拟),就能实现这一目标。基于 GN 的 ROM 运行速度比黄金标准(MCMC)快 60 倍,同时产生的不确定性与 MCMC 方法产生的不确定性非常接近。所提出的方法是量化数值物理模拟不确定性的通用框架,并不局限于该应用的特定物理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Generative model-based framework for parameter estimation and uncertainty quantification applied to a compartmental model in epidemiology
We propose a new method in which a generative network (GN) set within a reduced-order model (ROM) framework is used to solve inverse problems for partial differential equations (PDE). The aim is to match available measurements and estimate the corresponding uncertainties associated with the states and parameters of a numerical physical simulation. We train the GN using only unconditional simulations of the discretized PDE model. A GN is used here to exploit the ability of these methods to generate realistic outputs from complex probability distributions, such as the ones that represent the possible states and parameters of a physical problem. We compare the proposed method with the gold standard Markov chain Monte Carlo (MCMC). Additionally, we suggest the use of a novel type of time-stepping regularization to improve the representativeness of the physical solution, and we present a new way of evaluating the GN training, taking advantage of the real/generated sample structure. We apply the proposed approaches to a spatio-temporal compartmental model in epidemiology. The results show that the proposed GN-based ROM can efficiently quantify uncertainty and accurately match the measurements and the gold standard. This is achieved using only a limited number of unconditional simulations from the full-order numerical PDE model (40 simulations). The GN-based ROM operates 60 times faster than the gold standard (MCMC), while producing uncertainties that closely match those generated by the MCMC approach. The proposed method is a general framework for quantifying uncertainties in numerical physical simulations and is not restricted to the specific physics of this application.
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来源期刊
Journal of Computational Science
Journal of Computational Science COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS-COMPUTER SCIENCE, THEORY & METHODS
CiteScore
5.50
自引率
3.00%
发文量
227
审稿时长
41 days
期刊介绍: Computational Science is a rapidly growing multi- and interdisciplinary field that uses advanced computing and data analysis to understand and solve complex problems. It has reached a level of predictive capability that now firmly complements the traditional pillars of experimentation and theory. The recent advances in experimental techniques such as detectors, on-line sensor networks and high-resolution imaging techniques, have opened up new windows into physical and biological processes at many levels of detail. The resulting data explosion allows for detailed data driven modeling and simulation. This new discipline in science combines computational thinking, modern computational methods, devices and collateral technologies to address problems far beyond the scope of traditional numerical methods. Computational science typically unifies three distinct elements: • Modeling, Algorithms and Simulations (e.g. numerical and non-numerical, discrete and continuous); • Software developed to solve science (e.g., biological, physical, and social), engineering, medicine, and humanities problems; • Computer and information science that develops and optimizes the advanced system hardware, software, networking, and data management components (e.g. problem solving environments).
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