The Marquardt algorithm for nonlinear least squares is presented and is incorporated into the backpropagation algorithm for training feedforward neural networks. The algorithm is tested on several function approximation problems, and is compared with a conjugate gradient algorithm and a variable learning rate algorithm. It is found that the Marquardt algorithm is much more efficient than either of the other techniques when the network contains no more than a few hundred weights.

No abstract

SUMMARYThe purpose of this paper is to provide a quick overview of neural networks and to explain how they can be used in control systems. We introduce the multilayer perceptron neural network and describe how it can be used for function approximation. The backpropagation algorithm (including its variations) is the principal procedure for training multilayer perceptrons; it is briefly described here. Care must be taken, when training perceptron networks, to ensure that they do not overfit the training data and then fail to generalize well in new situations. Several techniques for improving generalization are discussed. The paper also presents three control architectures: model reference adaptive control, model predictive control, and feedback linearization control. These controllers demonstrate the variety of ways in which multilayer perceptron neural networks can be used as basic building blocks. We demonstrate the practical implementation of these controllers on three applications: a continuous stirred tank reactor, a robot arm, and a magnetic levitation system.

A neural network/trajectory approach is presented for the development of accurate potential-energy hypersurfaces that can be utilized to conduct ab initio molecular dynamics (AIMD) and Monte Carlo studies of gas-phase chemical reactions, nanometric cutting, and nanotribology, and of a variety of mechanical properties of importance in potential microelectromechanical systems applications. The method is sufficiently robust that it can be applied to a wide range of polyatomic systems. The overall method integrates ab initio electronic structure calculations with importance sampling techniques that permit the critical regions of configuration space to be determined. The computed ab initio energies and gradients are then accurately interpolated using neural networks (NN) rather than arbitrary parametrized analytical functional forms, moving interpolation or least-squares methods. The sampling method involves a tight integration of molecular dynamics calculations with neural networks that employ early stopping and regularization procedures to improve network performance and test for convergence. The procedure can be initiated using an empirical potential surface or direct dynamics. The accuracy and interpolation power of the method has been tested for two cases, the global potential surface for vinyl bromide undergoing unimolecular decomposition via four different reaction channels and nanometric cutting of silicon. The results show that the sampling methods permit the important regions of configuration space to be easily and rapidly identified, that convergence of the NN fit to the ab initio electronic structure database can be easily monitored, and that the interpolation accuracy of the NN fits is excellent, even for systems involving five atoms or more. The method permits a substantial computational speed and accuracy advantage over existing methods, is robust, and relatively easy to implement.

No abstract