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

该项目的目标是（1）同时设计优化方法和地下水流和输运模拟器，用于各种地下污染物修复问题，（2）以利用优化和模拟中的并行性的方式实现优化-模拟组合，包括基于网格的搜索-轮询类型方法的实现的一些想法，（3）将新算法应用于两个演示问题;（4）在这种多学科环境中培养一代学生。 其中两名PI Dennis和Kelley在广泛的优化技术方面具有专业知识，包括用于平滑问题的基于梯度的方法和用于梯度不可用的问题的采样方法。 Kelley和米勒在多相流数值模拟方法方面有着长期的合作。 PI将利用这一专业知识，同时设计模拟器和优化算法。 将在软件领域开展以信息技术为中心的活动。 主要调查员正在制定两个代码，即FOCUS和IFFCO。 其中最成熟的是IFFCO，一个隐式过滤优化代码，将从PVM移植到MPI，打包以便于安装和测试，记录为一本书，并以最终形式发布。 PI还将继续开发FOCUS，这是替代管理框架思想的实施。地下污染的修复是世界范围内的一个重要问题。其目标是以最低的成本清理或使地下污染物（如地下储罐的燃料泄漏或泄漏桶的工业废物）无法移动。 管理决策必须做出，而错误决策的潜在经济处罚是巨大的。 地下系统的数学模型通常用于帮助做出这样的决策，并且这些模型越来越多地与优化方法相联系，以帮助设计和管理决策。 地下补救战略涉及的决策包括使用的恢复方法、安装设备（如威尔斯）的位置选择以及从这些威尔斯井中提取或注入的速度。 有开放的科学问题，在模拟有关的基本建模和选择的数值方法，需要解决的软件设计的一部分，以优化补救方法。 这三位PI在多相流的模拟、建模和实验工作方面具有专业知识，在优化方法方面也具有广泛的专业知识。 该项目的目标是设计模型，模拟器和优化方法，同时基于更精确的模型进行更有效的优化设计。

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.