ITR/AP: Collaborative Research: Sampling Methods for Optimization and Control of Subsurface Contamination

该项目的目标是(1)同时设计各种地下污染物修复问题的优化方法和地下流动和运输模拟器，(2)以一种利用优化和模拟并行性的方式实现优化-模拟结合，包括基于网格实现搜索轮询类型方法的一些想法，(3)将新算法应用于两个演示问题。(4)在多学科背景下培养一代学生。两位pi， Dennis和Kelley，在广泛的优化技术方面拥有专业知识，包括基于梯度的光滑问题方法和不可用梯度问题的采样方法。Kelley和Miller在多相流数值模拟方法方面有着长期的合作。pi将利用这些专业知识，同时设计模拟器和优化算法。软件领域将出现以it为中心的活动。主要研究人员正在开发FOCUS和IFFCO两种代码。其中最成熟的IFFCO是一个隐式过滤优化代码，将从PVM移植到MPI，为了便于安装和测试，将其打包成一本书，并以最终形式发布。pi还将继续开发FOCUS，这是代理管理框架思想的实现。地下污染的修复是世界范围内的一个重要问题。目标是清理或使地下污染物无法移动，如地下储罐泄漏的燃料或泄漏桶产生的工业废物，并以最低的成本做到这一点。必须做出管理决策，而错误决策的潜在经济惩罚是巨大的。地下系统的数学模型通常用于帮助做出此类决策，并且这些模型越来越多地与优化方法联系在一起，以辅助设计和管理决策。地下修复策略涉及诸如修复方法的使用、设备安装位置的选择（如井）以及从这些井中提取或注入的速率等决策。在模拟中存在与基本建模和数值方法选择相关的开放式科学问题，这些问题需要作为优化补救方法的软件设计的一部分加以解决。这三位pi在多相流的模拟、建模和实验工作以及优化方法方面具有广泛的专业知识。该项目的目标是同时设计模型、模拟器和优化方法，以实现基于更精确模型的更有效的优化设计。

The objectives of this project are (1) to simultaneously design optimization methods and subsurface flow and transport simulators for a variety of subsurface contaminant remediation problems, (2) to implement the optimization-simulation combination in a way that exploits parallelism in both the optimization and simulation, including some ideas for grid-based implementations of search-poll type methods, (3) to apply the new algorithms to two demonstration problems, (4) to train a generation of students in this multidisciplinary setting. Two of the PIs, Dennis and Kelley, have expertise in a wide range of optimization technology, both gradient-based methods for smooth problems and sampling methods for problems for which gradients are not available. Kelley and Miller have a long-standing collaboration in numerical methods for simulation of multi-phase flow. The PIs will exploit this expertise and design the simulators and optimization algorithms simultaneously. There will be IT-centered activity in software. Two codes, FOCUS and IFFCO, are under development by the principal investigators. The most mature of these, IFFCO an implicit filtering optimization code, will be ported to MPI from PVM, packaged for ease of installation and testing, documented as a book, and released in final form. The PIs will also continue to develop FOCUS, an implementation of the surrogate management framework ideas.Remediation of subsurface contamination is an important issue world-wise. The goal is to clean up, or render immobile, underground contaminants such as fuel spills from underground tanks or industrial waste from leaking drums, and do this at minimum cost. Management decisions must be made, and the potential financial penalty of bad decisions is great. Mathematical models of subsurface systems are often used to assist in making such decisions and these models are increasingly linked with optimization approaches to aid design and management decision making. Subsurface remediation strategies involve decisions such as the restoration approach to use, the selection of locations to install devices, such as wells, and the rates of extraction from or injection into these wells. There are open scientific problems in simulation related to fundamental modeling and choice of numerical methods that need to be addressed as part of the design of software to optimize the remediation methods. The three PIs have expertise in simulation, modeling, and experimental work in multi-phase flows as well as broad expertise in optimization methods. The objectives of this project are to design models, simulators, and optimization methods simultaneously with the goal of more efficient optimal design based on more accurate models.