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Surrogate Modeling and Optimization of a Combustor with an Interdigitated Flushwall Injector

Design and Analysis of Computer Experiments (DACE) methods are applied and used to perform surrogate modeling and optimization of a simplified combustor flowpath with an interdigitated flushwall injector. The objectives of the optimization are the thrust potential and combustion efficiency, which are evaluated across a range of flight Mach numbers, duct heights, spanwise spacings, and injection angles. The focus of this work is to highlight the application of a sequential learning approach, in order to learn about the responses of the objective functions over the design space and to identify local regions of interest for further analysis. This approach is contrasted to a previous effort where only a single sampling set was used to fit surrogate models and perform optimization. The optimal solutions resulting from the previous and present approaches are different, due to surrogate model-guided local refinement of the design space allowed by the sequential learning method. The values of the global error estimates between the previous and present approaches are comparable, but the sequential method proved more computationally cost-effective. Further refinement in the optimal regions might be needed to improve predictive capability of surrogate models and to obtain the optimal solutions sets.

Rajiv R Shenoy

Economic Benefits of Improved Information on Worldwide Crop Production: An Optimal Decision Model of Production and Distribution with Application to Wheat, Corn, and Soybeans

An optimal decision model of crop production, trade, and storage was developed for use in estimating the economic consequences of improved forecasts and estimates of worldwide crop production. The model extends earlier distribution benefits models to include production effects as well. Application to improved information systems meeting the goals set in the large area crop inventory experiment (LACIE) indicates annual benefits to the United States of $200 to $250 million for wheat, $50 to $100 million for corn, and $6 to $11 million for soybeans, using conservative assumptions on expected LANDSAT system performance.

Andrews, J.

A comparison of motor submodels in the optimal control model

Properties of several structural variations in the neuromotor interface portion of the optimal control model (OCM) are investigated. For example, it is known that commanding control-rate introduces an open-loop pole at S=O and will generate low frequency phase and magnitude characteristics similar to experimental data. However, this gives rise to unusually high sensitivities with respect to motor and sensor noise-ratios, thereby reducing the models' predictive capabilities. Relationships for different motor submodels are discussed to show sources of these sensitivities. The models investigated include both pseudo motor-noise and actual (system driving) motor-noise characterizations. The effects of explicit proprioceptive feedback in the OCM is also examined. To show graphically the effects of each submodel on system outputs, sensitivity studies are included, and compared to data obtained from other tests.

Lancraft, R. E.

Reduced-dimension Bayesian optimization for model calibration of transient vapor compression cycles

Development and calibration of first-principles dynamic models of vapor compression cycles (VCCs) is of critical importance for applications that include control design and fault detection and diagnostics. Nevertheless, the inherent complexity of models that are represented by large systems of differential–algebraic equations leads to significant challenges for model calibration processes that utilize classical gradient-based methods. Bayesian optimization (BO) is a sample-efficient and gradient-free approach using a probabilistic surrogate model and optimal search over a feasible parameter space. Despite the benefits of BO in reducing computational costs, challenges remain in dealing with a high-dimensional calibration task resulting from a large set of parameters that have significant impacts on system behavior and need to be calibrated simultaneously. This paper presents a reduced-dimension BO framework for calibrating transient VCCs models where the calibration space is projected to a low-dimensional subspace for accelerating convergence of the solution algorithm and consequently reducing the number of transient simulations. The proposed approach was demonstrated via two case studies associated with different VCC applications where 10 parameters were calibrated in each case using laboratory measurements. The reduced-dimension BO framework only required 1 / 8 th of the iterations associated with a standard BO method that deals with high-dimensional calibration parameters for converged solutions and yielded comparable accuracy. Furthermore, both calibrated models revealed significant accuracy improvements compared to uncalibrated models.

Ma, Jiacheng

An optimal control model approach to the design of compensators for simulator delay

The effects of display delay on pilot performance and workload and of the design of the filters to ameliorate these effects were investigated. The optimal control model for pilot/vehicle analysis was used both to determine the potential delay effects and to design the compensators. The model was applied to a simple roll tracking task and to a complex hover task. The results confirm that even small delays can degrade performance and impose a workload penalty. A time-domain compensator designed by using the optimal control model directly appears capable of providing extensive compensation for these effects even in multi-input, multi-output problems.

Baron, S.

Model-based optimization strategies for direct hydrogenation of carbon dioxide to dimethyl ether

Here, this study discusses model-based optimization strategies for CO 2 hydrogenation to dimethyl ether (DME) over aCuZnZr (CZZ) and ferrite (FER) mixed catalyst system in a packed-bed reactor configuration. A two-dimensional axisymmetric, nonisothermal packed-bed reactor model was developed using COMSOL Multiphysics 6.2 software. The model solves two-dimensional (radial and axial) heat and mass transport equations in the packed-bed and integrates intraparticle diffusion and heat transfer in a 1D approach. This powerful feature differs from a traditional porous media approach and takes into account any heat and mass transfer limitations that may exist. Analysis shows that the heat transfer limitations are negligible, but strong internal mass transfer limitations were observed at 10 ≤ WHSV ≤ 90 h -1 on the FER catalyst and at 240 °C. The optimum catalyst composition (i.e., mixing ratio) varies depending on the operating regime. The FER catalyst weight in the mixture can be as low as 5 wt.%, but the ideal composition de-pends on the internal mass transfer limitation and its relationship with the operating regime (i.e., weight hourly space velocity, temperature). A catalyst composition of 80 wt.% CZZ and 20 wt.% FER was suggested; this composition can provide high CO 2 conversion and DME production rates at a wide range of temperatures and flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

PyOED: An Extensible Suite for Data Assimilation and Model-Constrained Optimal Design of Experiments

This article describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit for model-constrained OED. The package targets scientists and researchers interested in understanding the details of OED formulations and approaches. It is also meant to enable researchers to experiment with standard and innovative OED technologies with a wide range of test problems (e.g., simulation models). OED, inverse problems (e.g., Bayesian inversion), and data assimilation (DA) are closely related research fields, and their formulations overlap significantly. Thus, PyOED is continuously being expanded with a plethora of Bayesian inversion, DA, and OED methods as well as new scientific simulation models, observation error models, and observation operators. These pieces are added such that they can be permuted to enable testing OED methods in various settings of varying complexities. The PyOED core is completely written in Python and utilizes the inherent object-oriented capabilities; however, the current version of PyOED is meant to be extensible rather than scalable. Specifically, PyOED is developed to “enable rapid development and benchmarking of OED methods with minimal coding effort and to maximize code reutilization.” This article provides a brief description of the PyOED layout and philosophy and provides a set of exemplary test cases and tutorials to demonstrate the potential of the package.

97 MATHEMATICS AND COMPUTING

Branch strategies - Modeling and optimization

The authors provide a common platform for modeling different schemes for reducing the branch-delay penalty in pipelined processors as well as evaluating the associated increased instruction bandwidth. Their objective is twofold: to develop a model for different approaches to the branch problem and to help select an optimal strategy after taking into account additional i-traffic generated by branch strategies. The model presented provides a flexible tool for comparing different branch strategies in terms of the reduction it offers in average branch delay and also in terms of the associated cost of wasted instruction fetches. This additional criterion turns out to be a valuable consideration in choosing between two strategies that perform almost equally. More importantly, it provides a better insight into the expected overall system performance. Simple compiler-support-based low-implementation-cost strategies can be very effective under certain conditions. An active branch prediction scheme based on loop buffers can be as competitive as a branch-target-buffer based strategy.

Dubey, Pradeep K.

Surrogate models to optimize plasma-assisted atomic layer deposition in high aspect ratio features

In this work, we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching (ALE), surface recombination can dominate the reactivity of plasma species with the surface, which can lead to unfeasibly long exposure times to achieve full conformality inside nanostructures like high aspect ratio vias. Using a synthetic dataset based on simulations of PEALD, we train artificial neural networks to predict saturation times based on cross section thickness data obtained for partially coated conditions. The results obtained show that just two experiments in undersaturated conditions contain enough information to predict saturation times within 10% of the ground truth. A surrogate model trained to determine whether surface recombination dominates the plasma–surface interactions in a PEALD process achieves 99% accuracy. This demonstrates that machine learning can provide a new pathway to accelerate the optimization of PEALD processes in areas such as microelectronics. Our approach can be easily extended to ALE and more complex structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Analysis of Sting Balance Calibration Data Using Optimized Regression Models

Calibration data of a wind tunnel sting balance was processed using a search algorithm that identifies an optimized regression model for the data analysis. The selected sting balance had two moment gages that were mounted forward and aft of the balance moment center. The difference and the sum of the two gage outputs were fitted in the least squares sense using the normal force and the pitching moment at the balance moment center as independent variables. The regression model search algorithm predicted that the difference of the gage outputs should be modeled using the intercept and the normal force. The sum of the two gage outputs, on the other hand, should be modeled using the intercept, the pitching moment, and the square of the pitching moment. Equations of the deflection of a cantilever beam are used to show that the search algorithm s two recommended math models can also be obtained after performing a rigorous theoretical analysis of the deflection of the sting balance under load. The analysis of the sting balance calibration data set is a rare example of a situation when regression models of balance calibration data can directly be derived from first principles of physics and engineering. In addition, it is interesting to see that the search algorithm recommended the same regression models for the data analysis using only a set of statistical quality metrics.

Ulbrich, Norbert

Exploring Multidimensional Spatial-Temporal Hydropower Operational Flexibilities by Modeling and Optimizing Water-Constrained Cascading Hydroelectric Systems

Because of unique characteristics such as clean and cost-competitive electricity as well as fast-ramping and storage abilities, the power industry continues to evolve its operation strategies for cascading hydroelectric (CHE) systems for providing enhanced values to the grid, especially under the deeper renewable resource integration. However, existing operation practices of CHEs predate the integration of renewables, which could prohibit the effective utilization of their inherent flexibilities in delivering maximum financial benefits and providing valuable grid services to the power system and electricity market operations. Indeed, modeling and optimizing these resource-limited while flexible CHE assets with uncertainties and imperfect information across multiple spatial-temporal dimensions present significant challenges. To facilitate CHE facility operators in effectively coordinating water usage and hydropower plant operations across multiple timescales, this project aims to fill the existing gaps by developing a suite of accurate water inflow (WI) forecast models as well as enhanced CHE modeling and optimization approaches with proper consideration of their unique characteristics, which would help explore their multidimensional spatial-temporal operational flexibility potentials. The developed approaches could better align reservoir operation strategies with variability and uncertainty of future water availability. They can also promote more effective utilization of multidimensional spatial-temporal hydropower operational flexibility potentials by designing long-term evacuation plans of reservoirs and short-term operation of CHEs, along with their coordination with other types of renewables. The project leverages various resources to facilitate the research and development activities, including actual characteristics data of CHE systems and a library of current and future cases of Portland General Electric (PGE). These realistic data enable the project team to study how to maximize the value of CHEs under current and future portfolios and evaluate opportunities to improve operation practices.

13 HYDRO ENERGY

An Ensemble Neural Network Model for Predicting Rare-Earth Oxide and Silicate Heat Capacities at High Temperature

In this work, a neural network model was developed to predict the constant pressure heat capacity for materials in the rare-earth oxide—silica material space. Several model architectures were trained and tested on heat capacity data generated from first-principles density functional theory calculations. Hyperparameter optimization was performed, and the optimal model was selected for heat capacity predictions. The optimal model architecture was found to have a root-mean-squared error of 5.12 ± 3.37 J/mol-K. The optimal model architecture was then used in a bagging ensemble model trained using the leave-one-group-out method to provide error estimates for model predictions. The out-of-bag score for the ensemble model was 0.997. The predicted heat capacities agree well with the DFT and experimental results and were computed orders of magnitude faster than DFT simulations. Machine learning shows the potential to provide a suitable surrogate model for thermochemical property predictions for candidate environmental barrier coating materials but refining of input material features and model architectures could further improve accuracy for these models.

environmental barrier coatings

A quasi-Newton procedure for identifying pilot-related parameters of the optimal control model

The development and application of a quasi-Newton gradient search procedure for identifying independent pilot related parameters of the optimal control model for pilot/vehicle systems is reported. A sensitivity analysis procedure which determines whether a given model parameter is required to match a specific experimental result, and which experimentally induced parameter changes are required to account for behavioral and performance differences, is described. Application of the identification scheme to training effects in a manual control task is described.

Levison, W. H.

Analysis of response to wind-shears using the optimal control model of the human operator

The effects of wind-shears on the approach performance of a STOL aircraft are analyzed using the optimal-control model of the human operator. This analysis involves a time-varying situation that is more complex than is traditionally treated by human operator modelling techniques. The extensions to the time-varying case are discussed and results are presented that illustrate the effects of wind shears on category II window-performance and the effects on performance of pilot time-delay and of variations in pilot gain during approach.

Baron, S.

Studies in Software Cost Model Behavior: Do We Really Understand Cost Model Performance?

While there exists extensive literature on software cost estimation techniques, industry practice continues to rely upon standard regression-based algorithms. These software effort models are typically calibrated or tuned to local conditions using local data. This paper cautions that current approaches to model calibration often produce sub-optimal models because of the large variance problem inherent in cost data and by including far more effort multipliers than the data supports. Building optimal models requires that a wider range of models be considered while correctly calibrating these models requires rejection rules that prune variables and records and use multiple criteria for evaluating model performance. The main contribution of this paper is to document a standard method that integrates formal model identification, estimation, and validation. It also documents what we call the large variance problem that is a leading cause of cost model brittleness or instability.

data mining