When designing an engineering part, better decisions are made by exploring the entire space of design variations. This design space exploration (DSE) may be accomplished manually or via optimization. In engineering, evaluating a design during DSE often consists of running expensive simulations, such as finite element analysis (FEA) in order to understand the structural response to design changes. The computational cost of these simulations can make thorough DSE infeasible, and only a relatively small subset of the designs are explored. Surrogate models have been used to make cheap predictions of certain simulation results. Commonly, these models only predict single values (SV) that are meant to represent an entire part's response, such as a maximum stress or average displacement. However, these single values cannot return a complete prediction of the detailed nodal results of these simulations. Recently, surrogate models have been developed that can predict the full field (FF) of nodal responses. These FF surrogate models have the potential to make thorough and detailed DSE much more feasible and introduce further design benefits. However, these FF surrogate models have not yet been applied to real engineering activities or been demonstrated in DSE contexts, nor have they been directly compared with SV surrogate models in terms of accuracy and benefits.This thesis seeks to build confidence in FF surrogate models for engineering work by applying FF surrogate models to real DSE and engineering activities and exploring their comparative benefits with SV surrogate models. A user experiment which explores the effects of FF surrogate models in simple DSE activities helps to validate previous claims that FF surrogate models can enable interactive DSE. FF surrogate models are used to create Goodman diagrams for fatigue analysis, and found to be more accurate than SV surrogate models in predicting fatigue risk. Mode shapes are predicted and the accuracy of mode comparison predictions are found to require a larger amount of training samples when the data is highly nonlinear than do SV surrogate models. Finally, FF surrogate models enable spatially-defined objectives and constraints in optimization routines that efficiently search a design space and improve designs.The studies in this work present many unique FF-enabled design benefits for real engineering work. These include predicting a complete (rather than a summary) response, enabling interactive DSE of complex simulations, new three-dimensional visualizations of analysis results, and increased accuracy.

"Inverse design" formulates the design process as an inverse problem; optimal values of a parameterized design space are sought so to best reproduce quantitative outcomes from the forwards dynamics of the design's intended environment. Arguably, two subtasks are necessary to iteratively solve such a design problem; the generation and evaluation of designs. This thesis work documents two experiments leveraging machine learning (ML) to facilitate each subtask. Included first is a review of relevant physics and machine learning theory. Then, analysis on the theoretical foundations of ensemble methods realizes a novel equation describing the effect of Bagging and Random Forests on the expected mean squared error of a base model. Complex models of design evaluation may capture environmental dynamics beyond those that are useful for a design optimization. These constitute unnecessary time and computational costs. The first experiment attempts to avoid these by replacing EGSnrc, a Monte Carlo simulation of coupled electron-photon transport, with an efficient ML "surrogate model". To investigate the benefits of surrogate models, a simulated annealing design optimization is twice conducted to reproduce an arbitrary target design, once using EGSnrc and once using a random forest regressor as a surrogate model. It is found that using the surrogate model produced approximately an 100x speed-up, and converged upon an effective design in fewer iterations. In conclusion, using a surrogate model is faster and (in this case) also more effective per-iteration. The second experiment of this thesis work leveraged machine learning for design generation. As a proof-of-concept design objective, the work seeks to efficiently sample 2D Ising spin model configurations from an optimized design space with a uniform distribution of internal energies. Randomly sampling configurations yields a narrow Gaussian distribution of internal energies. Convolutional neural networks (CNN) trained with NeuroEvolution, a mutation-only genetic algorithm, were used to statistically shape the design space. Networks contribute to sampling by processing random inputs, their outputs are then regularized into acceptable configurations. Samples produced with CNNs had more uniform distribution of internal energies, and ranged across the entire space of possible values. In combination with conventional sampling methods, these CNNs can facilitate the sampling of configurations with uniformly distributed internal energies.

This dissertation has contributed to the pedestrian safety literature by assessing and comparing safety benefits and traffic efficiency among midblock Rectangular Rapid Flashing Beacon (RRFB) and Pedestrian Hybrid Beacon (PHB) sites. Video trajectory data were used to calculate pedestrian Surrogate Safety Measures (SSMs) and vehicles' delay. Regression models of SSMs and vehicles' delay revealed that PHB sites offer more safety benefits, at the expense of increased vehicles' delay, compared to RRFB sites. The presence of the PHB, weekday, signal activation, lane count, pedestrian speed, vehicle speed, land use mix, traffic flow, time of day, and pedestrian starting position from the sidewalk have been found to be significant determinants of the SSMs and vehicles' delay. Another avenue of pedestrian safety explored in this dissertation is the lag time. The study investigates survival likelihood and the lag time of non-instant pedestrian fatalities using random parameter Binary Logit and Ordered Logit models. The models were run on a dataset obtained from the Fatality Accident Reporting System (FARS) for the period of 2015-2019. The analysis revealed that weather, driver age groups, drunk/ distracted/ drowsy drivers, hit and run, involvement of large truck, VRU age group, gender, presence of sidewalk, presence of intersection, light condition, and speeding were common significant factors for both models. The factor found to be significant exclusively for the Binary Logit model includes Area type. Factors found to be significant exclusively for the Ordered Logit model include Presence of Crosswalk and Fire station nearby. The results validate the use of lag time as an alternative to crash count and crash severity analysis. The findings of this study pave the way for practitioners and policymakers to evaluate the effectiveness of midblock pedestrian crossing facilities, as well as to use lag time to investigate crashes and corroborate results from traditional crash-based investigations.

A study was performed on a recently developed prototype of the Yong-Geddes surrogate arm design to collect compliance data of the various system components and determine the accuracy of measurements made through the bench top model. The study was performed to perceive the effectiveness of the model as a tool for validating non-invasive blood pressure detection monitors. Three stages of testing were performed to gather pressure and volume data from an artificial artery component, a sphygmomanometer, and the surrogate arm system to produce compliance estimations. Mathematical equations from supported arterial hemodynamics studies and clinical trials were applied to the pressure and volume data. Dr. Drzewiecki’s equation for arterial compliance was capable of predicting the region of the highest compliance of the artificial artery and produced an overall value of 38.81% for the data. A second degree inverse polynomial was developed and modeled the sphygmomanometer compliance measurements with a of 99.09%. Significant error was observed throughout all stages of the compliance testing, which was attributed to factors such as excessive noise due to faulty data collection equipment and irreparable leaks in the fluid flow system.

This thesis presents a comparative analysis of surrogate models for the dissolution of spent nuclear fuel, with a focus on the use of deep learning techniques. The study explores the accuracy and efficiency of different machine learning methods in predicting the dissolution behavior of nuclear waste, and compares them to traditional modeling approaches. The results show that deep learning models can achieve high accuracy in predicting the dissolution rate, while also being computationally efficient. The study also discusses the potential applications of surrogate modeling in the field of nuclear waste management, including the optimization of waste disposal strategies and the design of more effective containment systems. Overall, this research highlights the importance of surrogate modeling in improving our understanding of nuclear waste behavior and developing more sustainable waste management practices.

A study was performed to compare two different methods for generating surrogate models for the analysis and design of airfoils. Initial research was performed to compare the accuracy of surrogate models for predicting the lift and drag of an airfoil with data collected from highidelity simulations using a modern CFD code along with lower-order models using a panel code. This was followed by an evaluation of the Class Shape Trans- formation (CST) method for parameterizing airfoil geometries as a prelude to the use of surrogate models for airfoil design optimization and the implementation of software to use CST to modify airfoil shapes as part of the airfoil design process. Optimization routines were coupled with surrogate modeling techniques to study the accuracy and efficiency of the surrogate models to produce optimal airfoil shapes. Finally, the results of the current research are summarized, and suggestions are made for future research.

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