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At least 1,189 records · Page 66

Data-driven optimization of mixed-integer bi-level multi-follower integrated planning and scheduling problems under demand uncertainty

The coordination of interconnected elements across the different layers of the supply chain is essential for all industrial processes and the key to optimal decision-making. Yet, the modeling and optimization of such interdependent systems are still burdensome. Here we address the simultaneous modeling and optimization of medium-term planning and short-term scheduling problems under demand uncertainty using mixed-integer bi-level multi-follower programming and data-driven optimization. Bi-level multi-follower programs model the natural hierarchy between different layers of supply chain management holistically, while scenario analysis and data-driven optimization allow us to retrieve the guaranteed feasible solutions of the integrated formulation under various demand considerations. We address the data-driven optimization of this challenging class of problems using the DOMINO framework, which was initially developed to solve single-leader single-follower bi-level optimization problems to guaranteed feasibility. This framework is extended to solve single-leader multi-follower stochastic formulations and its performance is characterized by well-known single and multi-product process scheduling case studies. Through our data-driven algorithmic approach, we present guaranteed feasible solutions to linear and nonlinear mixed-integer bi-level formulations of simultaneous planning and scheduling problems and further characterize the effects of the scheduling level complexity on the solution performance, which spans over several hundred continuous and binary variables, and thousands of constraints.

42 ENGINEERING↗

On the Use of Optimization Techniques for Turbulence Model Calibration

This article discusses the use of numerical optimization procedures to aid in the calibration of turbulence model coefficients. Such methods would increase the rigor and repeatability of the calibration procedure by requiring clearly defined and objective optimization metrics, and could be used to identify unique combinations of coefficient values for specific flow problems. The approach is applied to the re-calibration of an explicit algebraic Reynolds stress model for the incompressible planar mixing layer using the Nelder-Mead simplex algorithm and a micro-genetic algorithm with minimally imposed constraints. Three composite fitness functions, each based upon the error in the mixing layer growth rate and the normal and shear components of the Reynolds stresses, are investigated. The results demonstrate a significant improvement in the target objectives through the adjustment of three pressure-strain coefficients. Adjustments of additional coefficients provide little further benefit. Issues regarding the effectiveness of the fitness functions and the efficiency of the optimization algorithms are also discussed.

Yoder, Dennis A.↗

Likelihood-based docking of models into cryo-EM maps

Optimized docking of models into cryo-EM maps requires exploiting an understanding of the signal expected in the data to minimize the calculation time while maintaining sufficient signal. The likelihood-based rotation function used in crystallography can be employed to establish plausible orientations in a docking search. A phased likelihood translation function yields scores for the placement and rigid-body refinement of oriented models. Optimized strategies for choices of the resolution of data from the cryo-EM maps to use in the calculations and the size of search volumes are based on expected log-likelihood-gain scores computed in advance of the search calculation. Tests demonstrate that the new procedure is fast, robust and effective at placing models into even challenging cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗

Optimal white-noise stochastic forcing for linear models of turbulent channel flow

In the present study an optimisation problem is formulated to determine the forcing of an eddy-viscosity-based linearised Navier–Stokes model in channel flow at $Re_\tau \approx 5200$ ( $Re_\tau$ is the friction Reynolds number), where the forcing is white-in-time and spatially decorrelated. The objective functional is prescribed such that the forcing drives a response to best match a set of velocity spectra from direct numerical simulation (DNS), as well as remaining sufficiently smooth. Strong quantitative agreement is obtained between the velocity spectra from the linear model with optimal forcing and from DNS, but only qualitative agreement between the Reynolds shear stress co-spectra from the model and DNS. The forcing spectra exhibit a level of self-similarity, associated with the primary peak in the velocity spectra, but they also reveal a non-negligible amount of energy spent in phenomenologically mimicking the non-self-similar part of the velocity spectra associated with energy cascade. By exploiting linearity, the effect of the individual forcing components is assessed and the contributions from the Orr mechanism and the lift-up effect are also identified. Finally, the effect of the strength of the eddy viscosity on the optimisation performance is investigated. The inclusion of the eddy viscosity diffusion operator is shown to be essential in modelling of the near-wall features, while still allowing the forcing of the self-similar primary peak. In particular, reducing the strength of the eddy viscosity results in a considerable increase in the near-wall forcing of wall-parallel components.

Mechanics↗

Evaluating Property Model Accuracy for Cost Optimization of Desalination Technologies

Conference presentation conveying work conducted on property modeling and implications on cost optimization of seawater desalination technology. The authors assess the accuracy of four different property modeling approaches to represent thermodynamic properties of seawater. These properties are used with process flowsheets that include either reverse osmosis or mechanical vapor compression. The accuracy of property estimation is related to deviations in process design and levelized cost.

Sakhai, Savannah↗

Comparison and Limitations of DVH-Based NTCP Models Derived From 3D-CRT and IMRT Data for Prediction of Gastrointestinal Toxicities in Prostate Cancer Patients by Using Propensity Score Matched Pair Analysis

Purpose: This study compared normal tissue complication probability (NTCP) modeling of chronic gastrointestinal toxicities following prostate cancer treatment for 2 treatment modalities. Possible factors causing discrepancies in optimal NTCP model parameters between 3-dimensional conformal radiation therapy (3D-CRT) and intensity modulated RT (IMRT) were analyzed and discussed, including the impact of patient characteristics, image guidance, toxicity scoring bias, and NTCP model limitations. Methods and Materials: Rectal wall dose-volume histograms of 1115 patients treated for prostate cancer under an adaptive radiation therapy protocol were used to model gastrointestinal toxicity grade ≥2 (according to Common Terminology Criteria for Adverse Events). A total of 457 patients were treated with 3D-CRT and 658 with IMRT. 3D-CRT patients were matched to IMRT patients based on various patient characteristics, using a propensity score–based algorithm. Parameters of the Lyman equivalent uniform dose and cut-off dose logistic regression NTCP models were estimated for the 2 matched treatment modalities and the combined group. Results: After they were matched, the 3D-CRT and IMRT groups contained 275 and 550 patients with a large discrepancy of 28.7% versus 7.8% toxicities, respectively (P<.001). For both NTCP models, optimal parameters found for the 3D-CRT groups did not fit the IMRT patients well and vice versa. Models developed for the combined data overestimated NTCP for the IMRT patients and underestimated NTCP for the 3D-CRT group. Conclusions: Our analysis did not reveal a single definitive cause for discrepancies of model parameters between 3D-CRT and IMRT. Patient characteristics and bias in toxicity scoring, as well as image guidance alone, are unlikely causes of the large discrepancy of toxicities. Whether the cause was inherent to the specific NTCP models used in this study needs to be verified by future investigations. Because IMRT is increasingly used clinically, it is important that appropriate NTCP model parameters are determined for this treatment modality.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Optimal control of mathematical models for the radiotherapy of gliomas: the scalar case

This paper deals with the optimal control of a mathematical model of glioma progression incorporating the basic facts of the evolution of primary brain tumors. We will consider a model of the simplest possible kind, based on the Fischer-Kolmogorov equations, using ideas from Pérez-García (Mathematical models for the radiotherapy of gliomas (preprint), 2016). The control is the 2n-tuple (t{sub 1},..., t{sub n}; d{sub 1},..., d{sub n}), where d{sub i} is the i-th applied radiotherapy dose an t{sub i} is the i-th administration for 1 ≤ i ≤ n. We search for controls that maximize the survival time, that is, the time at which the tumor mass reaches a critical value M{sub ∗}, over the class of admissible radiation times and doses. We present theoretical and numerical results that justify the relevance of the model and the existence of potential medical applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

The Cell Utilized Partitioning Model as a Predictive Tool for Optimizing Counter-Current Chromatography Processes

Counter-current chromatography (CCC) is capable of unique elution modes that isolate analytes using the movement of the stationary phase in addition to moving the mobile phase. These modes include elution-extrusion CCC (EECCC) and dual-mode CCC (DM CCC) that are not possible in traditional solid-liquid chromatography systems. Although EECCC and DM CCC are widely used to recover highly retained components, to our knowledge, optimizing the elution process in these modes with predictive models has not been reported. To address this gap, we developed a predictive model for CCC dubbed the Cell Utilized Partitioning (CUP) model. The CUP model accurately predicts the effluents of multicomponent separations in EECCC and DM CCC modes when compared to experimental data. Furthermore, CUP model simulations were extended to investigate the influence of operating and intrinsic parameters on the yield and productivity, and to compare the separation performances of EECCC and DM CCC in various conditions. The results demonstrate that low distribution constants, usually a KD less than 1, and a selectivity > 1.3, under specific flowrate ranges, increase both productivity and yield. From these results, generalized optimization and scaleup guidelines are proposed that can apply to research settings and to industrial processes to maximize preparative CCC performance.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants (Model-Based Estimation Library Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model-based estimation (MBE) library for generating digital twins of coal-fired power plants (CFPPs). The models used by the MBE are transient and physics-based. Model classes in the library that correspond to different components in CFPPs are presented with physical explanations and representative results. MBE library provides Extended Kalman Filter (EKF), and Unscented Kalman Filter (UKF) algorithms. The MBE library is generic and can be used to represent a variety of CFPPs. A digital twin of a CFPP will be created as the reduced-order model of that CFPP is embedded in the developed MBE architecture.

20 FOSSIL-FUELED POWER PLANTS↗

Multidisciplinary Optimization of Tilt Rotor Blades Using Comprehensive Composite Modeling Technique

An optimization procedure is developed for addressing the design of composite tilt rotor blades. A comprehensive technique, based on a higher-order laminate theory, is developed for the analysis of the thick composite load-carrying sections, modeled as box beams, in the blade. The theory, which is based on a refined displacement field, is a three-dimensional model which approximates the elasticity solution so that the beam cross-sectional properties are not reduced to one-dimensional beam parameters. Both inplane and out-of-plane warping are included automatically in the formulation. The model can accurately capture the transverse shear stresses through the thickness of each wall while satisfying stress free boundary conditions on the inner and outer surfaces of the beam. The aerodynamic loads on the blade are calculated using the classical blade element momentum theory. Analytical expressions for the lift and drag are obtained based on the blade planform with corrections for the high lift capability of rotor blades. The aerodynamic analysis is coupled with the structural model to formulate the complete coupled equations of motion for aeroelastic analyses. Finally, a multidisciplinary optimization procedure is developed to improve the aerodynamic, structural and aeroelastic performance of the tilt rotor aircraft. The objective functions include the figure of merit in hover and the high speed cruise propulsive efficiency. Structural, aerodynamic and aeroelastic stability criteria are imposed as constraints on the problem. The Kreisselmeier-Steinhauser function is used to formulate the multiobjective function problem. The search direction is determined by the Broyden-Fletcher-Goldfarb-Shanno algorithm. The optimum results are compared with the baseline values and show significant improvements in the overall performance of the tilt rotor blade.

Chattopadhyay, Aditi↗

Bilevel Parameter Optimization for Nonlocal Image Denoising Models

We propose a bilevel optimization approach for the determination of parameters in nonlocal image denoising. We consider both spatial weights in front of the fidelity term, as well as weights within the kernel of the nonlocal operator. In both cases we investigate the differentiability of the solution operator in function spaces and derive a first order optimality system that characterizes local minima. For the numerical solution of the problems, we propose a second-order optimization algorithm in combination with a finite element discretization of the nonlocal denoising models and a computational strategy for the solution of the resulting dense linear systems. Several experiments are run in order to show the suitability of our approach.

97 MATHEMATICS AND COMPUTING↗

Task Parallelism to Optimize Performance of Environmental Modeling Software

Climate modeling is an integral part of environmental research, from studying rare phenomena to predicting future climate trends. The need for more accurate models is only growing, but as climate modeling capabilities advance, existing workflows require optimization to recoup performance. A solution comes in the form of task parallelism, a novel programming capability that provides an opportunity for optimization at execution time by allowing tasks to be executed in parallel, reducing runtime significantly. Using Parsl, an intuitive and scalable parallel scripting library for Python, we implement task parallelism within support software to aid in the continuous advancement of climate modeling technology.

54 ENVIRONMENTAL SCIENCES↗

Tracking stochastic resonance curves using an assisted reference model

The optimal noise amplitude for Stochastic Resonance (SR) is located employing an Artificial Neural Network (ANN) reference model with a nonlinear predictive capability. A modified Kalman Filter (KF) was coupled to this reference model in order to compensate for semi-quantitative forecast errors. Three manifestations of stochastic resonance, namely, Periodic Stochastic Resonance (PSR), Aperiodic Stochastic Resonance (ASR), and finally Coherence Resonance (CR) were considered. Using noise amplitude as the control parameter, for the case of PSR and ASR, the cross-correlation curve between the sub-threshold input signal and the system response is tracked. However, using the same parameter the Normalized Variance curve is tracked for the case of CR. The goal of the present work is to track these curves and converge to their respective extremal points. The ANN reference model strategy captures and subsequently predicts the nonlinear features of the model system while the KF compensates for the perturbations inherent to the superimposed noise. This technique, implemented in the FitzHugh-Nagumo model, enabled us to track the resonance curves and eventually locate their optimal (extremal) values. This would yield the optimal value of noise for the three manifestations of the SR phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗