Model reduction for the dynamics and control of large structural systems via neutral network processing direct numerical optimization

Three neural network processing approaches in a direct numerical optimization model reduction scheme are proposed and investigated. Large structural systems, such as large space structures, offer new challenges to both structural dynamicists and control engineers. One such challenge is that of dimensionality. Indeed these distributed parameter systems can be modeled either by infinite dimensional mathematical models (typically partial differential equations) or by high dimensional discrete models (typically finite element models) often exhibiting thousands of vibrational modes usually closely spaced and with little, if any, damping. Clearly, some form of model reduction is in order, especially for the control engineer who can actively control but a few of the modes using system identification based on a limited number of sensors. Inasmuch as the amount of 'control spillover' (in which the control inputs excite the neglected dynamics) and/or 'observation spillover' (where neglected dynamics affect system identification) is to a large extent determined by the choice of particular reduced model (RM), the way in which this model reduction is carried out is often critical

Machine Learning for Fluid Mechanics

The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from field measurements, experiments and large-scale simulations at multiple spatiotemporal scales. Machine learning offers a wealth of techniques to extract information from data that could be translated into knowledge about the underlying fluid mechanics. Moreover, machine learning algorithms can augment domain knowledge and automate tasks related to flow control and optimization. This article presents an overview of past history, current developments, and emerging opportunities of machine learning for fluid mechanics. It outlines fundamental machine learning methodologies and discusses their uses for understanding, modeling, optimizing, and controlling fluid flows. The strengths and limitations of these methods are addressed from the perspective of scientific inquiry that considers data as an inherent part of modeling, experimentation, and simulation. Machine learning provides a powerful information processing framework that can enrich, and possibly even transform, current lines of fluid mechanics research and industrial applications.Comment: To appear in the Annual Reviews of Fluid Mechanics, 202

An optimization method for dynamics of structures with repetitive component patterns

The occurrence of dynamic problems during the operation of machinery may have devastating effects on a product. Therefore, design optimization of these products becomes essential in order to meet safety criteria. In this research, a hybrid design optimization method is proposed where attention is focused on structures having repeating patterns in their geometries. In the proposed method, the analysis is decomposed but the optimization problem itself is treated as a whole. The model of an entire structure is obtained without modeling all the repetitive components using the merits of the Component Mode Synthesis method. Backpropagation Neural Networks are used for surrogate modeling. The optimization is performed using two techniques: Genetic Algorithms (GAs) and Sequential Quadratic Programming (SQP). GAs are utilized to increase the chance of finding the location of the global optimum and since this optimum may not be exact, SQP is employed afterwards to improve the solution. A theoretical test problem is used to demonstrate the method

Identifying and attacking the saddle point problem in high-dimensional non-convex optimization

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, neural network theory, and empirical evidence, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new approach to second-order optimization, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep or recurrent neural network training, and provide numerical evidence for its superior optimization performance.Comment: The theoretical review and analysis in this article draw heavily from arXiv:1405.4604 [cs.LG

Coarse-Graining Auto-Encoders for Molecular Dynamics

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and spatial scales involved in thermodynamic and kinetic phenomena in materials, atomistic simulations are often computationally unfeasible. Coarse-graining methods allow simulating larger systems, by reducing the dimensionality of the simulation, and propagating longer timesteps, by averaging out fast motions. Coarse-graining involves two coupled learning problems; defining the mapping from an all-atom to a reduced representation, and the parametrization of a Hamiltonian over coarse-grained coordinates. Multiple statistical mechanics approaches have addressed the latter, but the former is generally a hand-tuned process based on chemical intuition. Here we present Autograin, an optimization framework based on auto-encoders to learn both tasks simultaneously. Autograin is trained to learn the optimal mapping between all-atom and reduced representation, using the reconstruction loss to facilitate the learning of coarse-grained variables. In addition, a force-matching method is applied to variationally determine the coarse-grained potential energy function. This procedure is tested on a number of model systems including single-molecule and bulk-phase periodic simulations.Comment: 8 pages, 6 figure