Alexander Asteroth

Novel techniques in evolutionary optimization, simulation, and machine learning enable a broad analysis of domains like fluid dynamics, in which computation is expensive and flow behavior is complex. This paper introduces the concept of full domain analysis, defined as the ability to efficiently determine the full space of solutions in a problem domain and analyze the behavior of those solutions in an accessible and interactive manner. The goal of full domain analysis is to deepen our understanding of domains by generating many examples of flow, their diversification, optimization, and analysis. We define a formal model for full domain analysis, its current state of the art, and the requirements of its sub-components. Finally, an example is given to show what can be learned by using full domain analysis. Full domain analysis, rooted in optimization and machine learning, can be a valuable tool in understanding complex systems in computational physics and beyond.

Novel techniques in evolutionary optimization, simulation and machine learning allow for a broad analysis of domains like fluid dynamics, in which computation is expensive and flow behavior is complex. Under the term of full domain analysis we understand the ability to efficiently determine the full space of solutions in a problem domain, and analyze the behavior of those solutions in an accessible and interactive manner. The goal of full domain analysis is to deepen our understanding of domains by generating many examples of flow, their diversification, optimization and analysis. We define a formal model for full domain analysis, its current state of the art, and requirements of subcomponents. Finally, an example is given to show what we can learn by using full domain analysis. Full domain analysis, rooted in optimization and machine learning, can be a helpful tool in understanding complex systems in computational physics and beyond.

Quality diversity algorithms can be used to efficiently create a diverse set of solutions to inform engineers' intuition. But quality diversity is not efficient in very expensive problems, needing hundreds of thousands of evaluations. Even with the assistance of surrogate models, quality diversity needs hundreds or even thousands of evaluations, which can make its use infeasible. In this study, we try to tackle this problem by using a pre-optimization strategy on a lower-dimensional optimization problem and then map the solutions to a higher-dimensional case. For a use case to design buildings that minimize wind nuisance, we show that we can predict flow features around 3D buildings from 2D flow features around building footprints. For a diverse set of building designs, by sampling the space of 2D footprints with a quality diversity algorithm, a predictive model can be trained that is more accurate than when trained on a set of footprints that were selected with a space-filling algorithm like the Sobol sequence. Simulating only 16 buildings in 3D, a set of 1,024 building designs with low predicted wind nuisance is created. We show that we can produce better machine learning models by producing training data with quality diversity instead of using common sampling techniques. The method can bootstrap generative design in a computationally expensive 3D domain and allow engineers to sweep the design space, understanding wind nuisance in early design phases.

Design optimization techniques are often used at the beginning of the design process to explore the space of possible designs. In these domains illumination algorithms, such as MAP-Elites, are promising alternatives to classic optimization algorithms because they produce diverse, high-quality solutions in a single run, instead of only a single near-optimal solution. Unfortunately, these algorithms currently require a large number of function evaluations, limiting their applicability. In this article, we introduce a new illumination algorithm, Surrogate-Assisted Illumination (SAIL), that leverages surrogate modeling techniques to create a map of the design space according to user-defined features while minimizing the number of fitness evaluations. On a two-dimensional airfoil optimization problem, SAIL produces hundreds of diverse but high-performing designs with several orders of magnitude fewer evaluations than MAP-Elites or CMA-ES. We demonstrate that SAIL is also capable of producing maps of high-performing designs in realistic three-dimensional aerodynamic tasks with an accurate flow simulation. Data-efficient design exploration with SAIL can help designers understand what is possible, beyond what is optimal, by considering more than pure objective-based optimization.

Neuroevolution methods evolve the weights of a neural network, and in some cases the topology, but little work has been done to analyze the effect of evolving the activation functions of individual nodes on network size, which is important when training networks with a small number of samples. In this work we extend the neuroevolution algorithm NEAT to evolve the activation function of neurons in addition to the topology and weights of the network. The size and performance of networks produced using NEAT with uniform activation in all nodes, or homogenous networks, is compared to networks which contain a mixture of activation functions, or heterogenous networks. For a number of regression and classification benchmarks it is shown that, (1) qualitatively different activation functions lead to different results in homogeneous networks, (2) the heterogeneous version of NEAT is able to select well performing activation functions, (3) producing heterogeneous networks that are significantly smaller than homogeneous networks.