Truncated Newton method for sparse unconstrained optimization using automatic differentiation

When solving large complex optimization problems, the user is faced with three major problems. These are (i) the cost in human time in obtaining accurate expressions for the derivatives involved; (ii) the need to store second derivative information; and (iii), of lessening importance, the time taken to solve the problem on the computer. For many problems, a significant part of the latter can be attributed to solving Newton-like equations. In the algorithm described, the equations are solved using a conjugate direction method that only needs the Hessian at the current point when it is multiplied by a trial vector. In this paper, we present a method that finds this product using automatic differentiation while only requiring vector storage. The method takes advantage of any sparsity in the Hessian matrix and computes exact derivatives. It avoids the complexity of symbolic differentiation, the inaccuracy of numerical differentiation, the labor of finding analytic derivatives, and the need for matrix store. When far from a minimum, an accurate solution to the Newton equations is not justified, so an approximate solution is obtained by using a version of Dembo and Steihaug's truncated Newton algorithm (Ref. 1).This paper was presented at the SIAM National Meeting, Boston, Massachusetts, 1986.     

A series active power filter based on a sinusoidalcurrent-controlled voltage-source inverter

A series active power filter working as a sinusoidal current source, in-phase with the mains voltage, has been developed and tested. The amplitude of the fundamental current in the series filter is controlled through the error signal generated between the load voltage and a pre-established reference. The control allows an effective correction of power factor, harmonic distortion and load voltage regulation. Compared with previous methods of control developed for series active filters, this method is simpler to implement because it is only required to generate a sinusoidal current, in-phase with the mains voltage, the amplitude of which is controlled through the error in the load voltage. The proposed system has been studied analytically and tested using computer simulations and experiments. In the experiments, it has been verified that the filter keeps the line current almost sinusoidal and in-phase with the line voltage supply. It also responds very quickly under sudden changes in load conditions, reaching its steady-state in about two cycles of the fundamental     

Reactive Power Compensation Technologies: State-of-the-Art Review

This paper presents an overview of the state of the art in reactive power compensation technologies. The principles of operation, design characteristics and application examples of Var compensators implemented with thyristors and self-commutated converters are presented. Static Var generators are used to improve voltage regulation, stability, and power factor in ac transmission and distribution systems. Examples obtained from relevant applications describing the use of reactive power compensators implemented with new static Var technologies are also described.     

Ring expansion of 5- to 6-member zirconacycles by carbenoid insertion

A wide range of carbenoids (1-lithio-1-halo species), including those with α-SiR₃, OEt, SPh, SO₂Ph, P(O)(OEt)₂, and CN substituents, insert into 5-member zirconacycles (saturated and unsaturated, mono- and bi-cyclic) to afford functionalized 6-member zirconacycles. 1-Lithio-1-haloalkenes insert to afford 6-member zirconacycles with an alkylidene substituent next to the metal. Unexpected double insertion of some carbenoids, and evidence for endocylic β-hydride transfer processes provide additional mechanistic interest.     

High bit rate digital subscriber line echo cancellation

The authors explore the issues of complexity, precision, and dynamic range and practical implementation issues such as nonlinearities in high bit rate digital subscriber line (HDSL) echo cancelers. The approach taken is to study these issues analytically using computer simulations, and then to verify simulation results with laboratory prototyping. One of the objectives was to determine whether HDSL echo cancellation will be practical and cost effective within the next several years, consistent with the desire to develop and deploy a repeaterless T1 capability by 1993. Thus, attention is given to practical design issues     

The effect of a magnetic field on the singlet/triplet ratio in geminate ion recombination

Excited state formation by ion recombination in solutions of fluorene in squalene has been studied by pulse radiolysis at the center of a large electromagnet. The products of the slower part of the ion recombination are affected by an applied magnetic field. The fluorescence yield increases by a factor of about 1.5 whereas the triplet yield decreases.     

Improvements to the distance geometry algorithm for conformational sampling of cyclic structures

Modifications to the distance geometry algorithm as embodied in the program DGEOM have been made to improve sampling capabilities. Specifically, torsion angle sampling replaces distance sampling for 1,4 atomic relationships and correlated distance sampling is disabled. The effects of these modifications are illustrated by comparing the different sets of conformations produced for butane. In addition, these changes are shown to increase the conformational sampling of two medium-sized rings, cycloheptadecane and caprylolactam. The current results for these molecules are compared to those of other conformational searching methods.     

The dipole moment of HNO in its ÃA″ excited state determined using optical—optical double resonance stark spectroscopy

The Stark splittings and rotational asymmetry splittings of a number of levels of the ùA″ excited state of HNO have been measured using the sub-Doppler technique of optical—optical double resonance, μ_a is found to be 1.08 ± 0.01 D for the 100 vibronic state, and 1.05 ± 0.01 D for the 020 vibronic state. These values are to be compared with a recently determined ground state value of μ_a = 0.996 D. The asymmetry splittings of some of the levels studied are considerably larger than predicted from the known rotational constants, indicating minor rotational perturbations.