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The molecular matching problem

Molecular chemistry contains many difficult optimization problems that have begun to attract the attention of optimizers in the Operations Research community. Problems including protein folding, molecular conformation, molecular similarity, and molecular matching have been addressed. Minimum energy conformations for simple molecular structures such as water clusters, Lennard-Jones microclusters, and short polypeptides have dominated the literature to date. However, a variety of interesting problems exist and we focus here on a molecular structure matching (MSM) problem.

Kincaid, Rex K.

An Investigation of Cavity Vortex Generators in Supersonic Flow

The purpose of this report is to document the results of experiments performed at the University of Kansas and at the NASA Langley Research Center (LaRC) into the use of shaped cavities to generate vortices in supersonic flow, as well as the progress made in simulating the observed flow using the PAB3D flow solver. The investigation was performed on 18 different cavity configurations installed in a convergent-divergent nozzle at the Jet Exit Facility at the LaRC. Pressure sensitive paint, static-pressure ports, focusing Schliern, and water tunnel flow visualization techniques were used to study the nature of the flow created by these cavities. The results of these investigations revealed that a shaped cavity can generate a pair of counter-rotating streamwise vortices in supersonic flow by creating weak, compression Mach waves and weak shocks. The PAB3D computer program, developed at the LaRC, was used to attempt to reproduce the experimental results. Unfortunately, due to problems with matching the grid blocks, no converged results were obtained. However, intermediate results, as well as a complete definition of the grid matching problems and suggested courses of actions are presented.

Hazlewood, Richard

A multilayer perceptron solution to the match phase problem in rule-based artificial intelligence systems

In rule-based AI planning, expert, and learning systems, it is often the case that the left-hand-sides of the rules must be repeatedly compared to the contents of some 'working memory'. The traditional approach to solve such a 'match phase problem' for production systems is to use the Rete Match Algorithm. Here, a new technique using a multilayer perceptron, a particular artificial neural network model, is presented to solve the match phase problem for rule-based AI systems. A syntax for premise formulas (i.e., the left-hand-sides of the rules) is defined, and working memory is specified. From this, it is shown how to construct a multilayer perceptron that finds all of the rules which can be executed for the current situation in working memory. The complexity of the constructed multilayer perceptron is derived in terms of the maximum number of nodes and the required number of layers. A method for reducing the number of layers to at most three is also presented.

Sartori, Michael A.

Solution of the minimum time-to-climb problem by matched asymptotic expansions

Application of singular perturbation techniques to trajectory optimization problems of flight mechanics is discussed. The method of matched asymptotic expansions is used to obtain an approximate solution to the aircraft minimum time-to-climb problem. Outer, boundary-layer, and composite solutions are obtained to zeroth and first orders. A stability criterion is derived for the zeroth-order boundary-layer solutions (the theory requires a form of boundary-layer stability). A numerical example is considered for which it is shown that the stability criterion is satisfied and a useful numerical solution is obtained. The zeroth-order solution proves to be a poor approximation, but the first-order solution gives a good approximation for both the trajectory and the minimum time-to-climb. The computational cost of the singular perturbation solution is considerably less than that of a steepest descent solution. Thus singular perturbation methods appear to be promising for the solution of optimal control problems.

Ardema, M. D.

Model based matching using simulated annealing and a minimum representation size criterion

We define the model based matching problem in terms of the correspondence and transformation that relate the model and scene, and the search and evaluation measures needed to find the best correspondence and transformation. Simulated annealing is proposed as a method for search and optimization, and the minimum representation size criterion is used as the evaluation measure in an algorithm that finds the best correspondence. An algorithm based on simulated annealing is presented and evaluated. This algorithm is viewed as a part of an adaptive, hierarchical approach which provides robust results for a variety of model based matching problems.

Ravichandran, B.

Topological numbering of features on a mesh

Assume a nxn binary image is given containing horizontally convex features; i.e., for each feature, each of its row's pixels form an interval on that row. The problem of assigning topological numbers to such features is considered; i.e., assign a number to every feature f so that all features to the left of f have a smaller number assigned to them. This problem arises in solutions to the stereo matching problem. A parallel algorithm to solve the topological numbering problem in O(n) time on an nxn mesh of processors is presented. The key idea of the solution is to create a tree from which the topological numbers can be obtained even though the tree does not uniquely represent the to the left of relationship of the features.

Atallah, Mikhail J.

Co-design of a wave energy converter through bi-conjugate impedance matching

As with other oscillatory power conversion systems, the design of wave energy converters can be understood as an impedance matching problem. By representing the wave energy converter as a multi-port network, two separate but related impedance matching conditions can be established. Satisfying these conditions maximizes power transfer to the load. In practice, these impedance matching conditions may be used to influence the design of the system (including the hull, power take-off, controller, mooring, etc.). To this end, this paper considers some example applications of wave energy converter design with the help of the impedance matching framework.

WEC

Optically Transparent Split-Ring Antennas for 1 to 10 GHz

Split-ring antennas made from optically transparent, electrically conductive films have been invented for applications in which there are requirements for compact antennas capable of operation over much or all of the frequency band from 1 to 10 GHz. Primary examples of such applications include wireless local-area networks and industrial, scientific, and medical (ISM) applications. These antennas can be conveniently located on such surfaces as those of automobile windows and display screens of diverse hand-held electronic units. They are fabricated by conventional printed-circuit techniques and can easily be integrated with solid-state amplifier circuits to enhance gain. The structure of an antenna of this type includes an antenna/feed layer supported on the top or outer face of a dielectric (e.g., glass) and, optionally, a ground layer on the bottom or inner face of the substrate. The ring can be in the form of either a conductive strip or a slot in the antenna/feed layer. The ring can be of rectangular, square, circular, elliptical, or other suitable shape and can be excited by means of a microstrip, slot line, or coplanar waveguide. For example, the antenna shown in the figure features a square conductive-strip split ring with a microstrip feed. In general, an antenna fed at its external boundary in the manner of this invention presents very high impedance, thereby creating an impedance-matching problem. Splitting the ring . that is, cutting a notch through the ring . offers a solution to the problem in that the notch fixes the location of maximum electric field, which location is directly related to the impedance. Thus, an excellent impedance match can be achieved through proper choice of the location of the notch. In geometric layout, such a ring antenna structure is typically between 1.4 and 1.3 the size of a patch antenna capable of operating in the same frequency range. This miniaturization of the antenna is desirable, not only because it contributes to overall miniaturization of equipment, but also because minimization of the extent of the optically transparent, electrically conductive film helps to minimize the electrical loss associated with the surface resistance ( 5 ohms per square) of the transparent, electrically conductive film material. Incidentally, even at 5 ohms per square, this surface resistance is significantly less than that of indium tin oxide film (typically > 25 ohms per square), which, heretofore has been the transparent, electrically conductive film material of choice. At the time of writing this article, information on the composition of the lower-resistance film used in the antennas of this invention was not available.

Lee, Richard Q.

Potential Flow Theory and Operation Guide for the Panel Code PMARC

The theoretical basis for PMARC, a low-order panel code for modeling complex three-dimensional bodies, in potential flow, is outlined. PMARC can be run on a wide variety of computer platforms, including desktop machines, workstations, and supercomputers. Execution times for PMARC vary tremendously depending on the computer resources used, but typically range from several minutes for simple or moderately complex cases to several hours for very large complex cases. Several of the advanced features currently included in the code, such as internal flow modeling, boundary layer analysis, and time-dependent flow analysis, including problems involving relative motion, are discussed in some detail. The code is written in Fortran77, using adjustable-size arrays so that it can be easily redimensioned to match problem requirements and computer hardware constraints. An overview of the program input is presented. A detailed description of the input parameters is provided in the appendices. PMARC results for several test cases are presented along with analytic or experimental data, where available. The input files for these test cases are given in the appendices. PMARC currently supports plotfile output formats for several commercially available graphics packages. The supported graphics packages are Plot3D, Tecplot, and PmarcViewer.

Ashby, Dale L.

The Total Synthesis Problem of linear multivariable control. II - Unity feedback and the design morphism

Zames (1981) has observed that there is, in general, no 'separation principle' to guarantee optimality of a division between control law design and filtering of plant uncertainty. Peczkowski and Sain (1978) have solved a model matching problem using transfer functions. Taking into consideration this investigation, Peczkowski et al. (1979) proposed the Total Synthesis Problem (TSP), wherein both the command/output-response and command/control-response are to be synthesized, subject to the plant constraint. The TSP concept can be subdivided into a Nominal Design Problem (NDP), which is not dependent upon specific controller structures, and a Feedback Synthesis Problem (FSP), which is. Gejji (1980) found that NDP was characterized in terms of the plant structural matrices and a single, 'good' transfer function matrix. Sain et al. (1981) have extended this NDP work. The present investigation is concerned with a study of FSP for the unity feedback case. NDP, together with feedback synthesis, is understood as a Total Synthesis Problem.

Sain, M. K.

History matching by spline approximation and regularization in single-phase areal reservoirs

An automatic history matching algorithm is developed based on bi-cubic spline approximations of permeability and porosity distributions and on the theory of regularization to estimate permeability or porosity in a single-phase, two-dimensional real reservoir from well pressure data. The regularization feature of the algorithm is used to convert the ill-posed history matching problem into a well-posed problem. The algorithm employs the conjugate gradient method as its core minimization method. A number of numerical experiments are carried out to evaluate the performance of the algorithm. Comparisons with conventional (non-regularized) automatic history matching algorithms indicate the superiority of the new algorithm with respect to the parameter estimates obtained. A quasioptimal regularization parameter is determined without requiring a priori information on the statistical properties of the observations.

Lee, T. Y.

Recognition of partially occluded threat objects using the annealed Hopefield network

Recognition of partially occluded objects has been an important issue to airport security because occlusion causes significant problems in identifying and locating objects during baggage inspection. The neural network approach is suitable for the problems in the sense that the inherent parallelism of neural networks pursues many hypotheses in parallel resulting in high computation rates. Moreover, they provide a greater degree of robustness or fault tolerance than conventional computers. The annealed Hopfield network which is derived from the mean field annealing (MFA) has been developed to find global solutions of a nonlinear system. In the study, it has been proven that the system temperature of MFA is equivalent to the gain of the sigmoid function of a Hopfield network. In our early work, we developed the hybrid Hopfield network (HHN) for fast and reliable matching. However, HHN doesn't guarantee global solutions and yields false matching under heavily occluded conditions because HHN is dependent on initial states by its nature. In this paper, we present the annealed Hopfield network (AHN) for occluded object matching problems. In AHN, the mean field theory is applied to the hybird Hopfield network in order to improve computational complexity of the annealed Hopfield network and provide reliable matching under heavily occluded conditions. AHN is slower than HHN. However, AHN provides near global solutions without initial restrictions and provides less false matching than HHN. In conclusion, a new algorithm based upon a neural network approach was developed to demonstrate the feasibility of the automated inspection of threat objects from x-ray images. The robustness of the algorithm is proved by identifying occluded target objects with large tolerance of their features.

Kim, Jung H.

Development of a stereo analysis algorithm for generating topographic maps using interactive techniques of the MPP

A local area matching algorithm was developed on the Massively Parallel Processor (MPP). It is an iterative technique that first matches coarse or low resolution areas and at each iteration performs matches of higher resolution. Results so far show that when good matches are possible in the two images, the MPP algorithm matches corresponding areas as well as a human observer. To aid in developing this algorithm, a control or shell program was developed for the MPP that allows interactive experimentation with various parameters and procedures to be used in the matching process. (This would not be possible without the high speed of the MPP). With the system, optimal techniques can be developed for different types of matching problems.

Strong, James P.

Performance evaluation of fault tolerant systems represented by Markov models

A method to evaluate the performance of fault tolerant systems whose configuration can be represented by time-invariant, discrete-time, discrete-state Markov models is introduced. Each state is assumed to be associated with a constant qualitative measure of the system's performance. The method first computes the moments of the performance probability mass function (PMF) and then finds an approximating function that has the same moments. The form of this function is a maximum entropy solution of the moment matching problem. A simple algorithm for calculating the necessary moments is derived and a method for finding the approximate performance PMF is suggested. After some modification, the method is applied to an example, the Inertial Upper Stage navigation system.

Missana, Jean-Olivier A. A.

Ultraviolet studies of Cepheids

We discuss whether with new evolutionary tracks we still have a problem fitting the Cepheids and their evolved companions on the appropriate evolutionary tracks. We find that with the Bertelli et al. tracks with convective overshoot by one pressure scale height the problem is essentially removed, though somewhat more mixing would give a better fit. By using the results of recent nonlinear hydrodynamic calculations, we find that we also have no problem matching the observed pulsation periods of the Cepheids with those expected from their new evolutionary masses, provided that Cepheids with periods less than 9 days are overtone pulsators. We investigate possible mass loss of Cepheids from UV studies of the companion spectrum of S Mus and from the ultraviolet spectra of the long period Cepheid l Carinae. For S Mus with a period of 9.6 days we derive an upper limit for the mass loss of M less than 10(exp -9) solar mass, if a standard velocity law is assumed for the wind. For l Carinae with a period of 35.5 days we find a probable mass loss of M is approximately 10(exp -5+/-2) solar mass.

Boehm-Vitense, Erika

Skyline based terrain matching

Skyline-based terrain matching, a new method for locating the vantage point of stereo camera or laser range-finding measurements on a global map previously prepared by satellite or aerial mapping is described. The orientation of the vantage is assumed known, but its translational parameters are determined by the algorithm. Skylines, or occluding contours, can be extracted from the sensory measurements taken by an autonomous vehicle. They can also be modeled from the global map, given a vantage estimate from which to start. The two sets of skylines, represented in cylindrical coordinates about either the true or the estimated vantage, are employed as 'features' or reference objects common to both sources of information. The terrain matching problem is formulated in terms of finding a translation between the respective representations of the skylines, by approximating the two sets of skylines as identical features (curves) on the actual terrain. The search for this translation is based on selecting the longest of the minimum-distance vectors between corresponding curves from the two sets of skylines. In successive iterations of the algorithm, the approximation that the two sets of curves are identical becomes more accurate, and the vantage estimate continues to improve. The algorithm was implemented and evaluated on a simulated terrain. Illustrations and examples are included.

Page, Lance A.

Comparison Between Navier-Stokes and Thin-Layer Computations for Separated Supersonic Flow

In the numerical simulation of high Reynolds-number flow, one can frequently supply only enough grid points to resolve the viscous terms in a thin layer. As a consequence, a body-or stream-aligned coordinate system is frequently used and viscous terms in this direction are discarded. It is argued that these terms cannot be resolved and computational efficiency is gained by their neglect. Dropping the streamwise viscous terms in this manner has been termed the thin-layer approximation. The thin-layer concept is an old one, and similar viscous terms are dropped, for example, in parabolized Navier-Stokes schemes. However, such schemes also make additional assumptions so that the equations can be marched in space, and such a restriction is not usually imposed on a thin-layer model. The thin-layer approximation can be justified in much the same way as the boundary-layer approximation; it requires, therefore, a body-or stream-aligned coordinate and a high Reynolds number. Unlike the boundary-layer approximation, the same equations are used throughout, so there is no matching problem. Furthermore, the normal momentum equation is not simplified and the convection terms are not one-sided differenced for marching. Consequently, the thin-layer equations are numerically well behaved at separation and require no special treatment there. Nevertheless, the thin-layer approximation receives criticism. It has been suggested that the approximation is invalid at separation and, more recently, that it is inadequate for unsteady transonic flow. Although previous comparisons between the thin-layer and Navier-Stokes equations have been made, these comparisons have not been adequately documented.

Degani, David

Seminar Software

The Society for Computer Simulation International is a professional technical society that distributes information on methodology techniques and uses of computer simulation. The society uses NETS, a NASA-developed program, to assist seminar participants in learning to use neural networks for computer simulation. NETS is a software system modeled after the human brain; it is designed to help scientists exploring artificial intelligence to solve pattern matching problems. Examples from NETS are presented to seminar participants, who can then manipulate, alter or enhance them for their own applications.

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