Fani Boukouvala

Global optimization advances in Mixed-Integer Nonlinear Programming, MINLP, and Constrained Derivative-Free Optimization, CDFO

This manuscript reviews recent advances in deterministic global optimization for Mixed-Integer Nonlinear Programming (MINLP), as well as Constrained Derivative-Free Optimization (CDFO). This work provides a comprehensive and detailed literature review in terms of significant theoretical contributions, algorithmic developments, software implementations and applications for both MINLP and CDFO. Both research areas have experienced rapid growth, with a common aim to solve a wide range of real-world problems. We show their individual prerequisites, formulations and applicability, but also point out possible points of interaction in problems which contain hybrid characteristics. Finally, an inclusive and complete test suite is provided for both MINLP and CDFO algorithms, which is useful for future benchmarking.

A multi-scale framework for CO 2 capture, utilization, and sequestration: CCUS and CCU

Abstract We present a multi-scale framework for the optimal design of CO 2 capture, utilization, and sequestration (CCUS) supply chain network to minimize the cost while reducing stationary CO 2 emissions in the United States. We also design a novel CO 2 capture and utilization (CCU) network for economic benefit through utilizing CO 2 for enhanced oil recovery. Both the designs of CCUS and CCU supply chain networks are multi-scale problems which require decision making at material, process and supply chain levels. We present a hierarchical and multi-scale framework to design CCUS and CCU supply chain networks with minimum investment, operating and material costs. While doing so, we take into consideration the selection of source plants, capture processes, capture materials, CO 2 pipelines, locations of utilization and sequestration sites, and amounts of CO 2 storage. Each CO 2 capture process is optimized, and the best materials are screened from large pool of candidate materials. Our optimized CCUS supply chain network can reduce 50% of the total stationary CO 2 emission in the U.S. at a cost of

Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption

35.63 per ton of CO 2 captured and managed. The optimum CCU supply chain network can capture and utilize CO 2 to make a total profit of more than 555 million dollars per year (

ARGONAUT: AlgoRithms for Global Optimization of coNstrAined grey-box compUTational problems

9.23 per ton). We have also shown that more than 3% of the total stationary CO 2 emissions in the United States can be eliminated through CCU networks at zero net cost. These results highlight both the environmental and economic benefits which can be gained through CCUS and CCU networks. We have designed the CCUS and CCU networks through (i) selecting novel materials and optimized process configurations for CO 2 capture, (ii) simultaneous selection of materials and capture technologies, (iii) CO 2 capture from diverse emission sources, and (iv) CO 2 utilization for enhanced oil recovery. While we demonstrate the CCUS and CCU networks to reduce stationary CO 2 emissions and generate profits in the United States, the proposed framework can be applied to other countries and regions as well.

Dimensionality reduction for production optimization using polynomial approximations

This paper introduces a novel methodology for the global optimization of general constrained grey-box problems. A grey-box problem may contain a combination of black-box constraints and constraints with a known functional form. The novel features of this work include (i) the selection of initial samples through a subset selection optimization problem from a large number of faster low-fidelity model samples (when a low-fidelity model is available), (ii) the exploration of a diverse set of interpolating and non-interpolating functional forms for representing the objective function and each of the constraints, (iii) the global optimization of the parameter estimation of surrogate functions and the global optimization of the constrained grey-box formulation, and (iv) the updating of variable bounds based on a clustering technique. The performance of the algorithm is presented for a set of case studies representing an expensive non-linear algebraic partial differential equation simulation of a pressure swing adsorption system for

A Novel Framework for Carbon Capture, Utilization, and Sequestration, CCUS

\hbox {CO}_{2}

Data-driven modeling and global optimization of industrial-scale petrochemical planning operations

CO2. We address three significant sources of variability and their effects on the consistency and reliability of the algorithm: (i) the initial sampling variability, (ii) the type of surrogate function, and (iii) global versus local optimization of the surrogate function parameter estimation and overall surrogate constrained grey-box problem. It is shown that globally optimizing the parameters in the parameter estimation model, and globally optimizing the constrained grey-box formulation has a significant impact on the performance. The effect of sampling variability is mitigated by a two-stage sampling approach which exploits information from reduced-order models. Finally, the proposed global optimization approach is compared to existing constrained derivative-free optimization algorithms.

Optimization of black-box problems using Smolyak grids and polynomial approximations

The algorithmic framework ARGONAUT is presented for the global optimization of general constrained grey-box problems. ARGONAUT incorporates variable selection, bounds tightening and constrained sampling techniques, in order to develop accurate surrogate representations of unknown equations, which are globally optimized. ARGONAUT is tested on a large set of test problems for constrained global optimization with a large number of input variables and constraints. The performance of the presented framework is compared to that of existing techniques for constrained derivative-free optimization.