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At least 271 records · Page 15

Yet another method for triangulation and contouring for automated cartography

An algorithm is presented for hierarchical subdivision of a set of three-dimensional surface observations. The data structure used for obtaining the desired triangulation is also singularly appropriate for extracting contours. Some examples are presented, and the results obtained are compared with those given by Delaunay triangulation. The data points selected by the algorithm provide a better approximation to the desired surface than do randomly selected points.

De Floriani, L.↗

Systems Engineering Design Via Experimental Operation Research: Complex Organizational Metric for Programmatic Risk Environments (COMPRE)

Unique and innovative graph theory, neural network, organizational modeling, and genetic algorithms are applied to the design and evolution of programmatic and organizational architectures. Graph theory representations of programs and organizations increase modeling capabilities and flexibility, while illuminating preferable programmatic/organizational design features. Treating programs and organizations as neural networks results in better system synthesis, and more robust data modeling. Organizational modeling using covariance structures enhances the determination of organizational risk factors. Genetic algorithms improve programmatic evolution characteristics, while shedding light on rulebase requirements for achieving specified technological readiness levels, given budget and schedule resources. This program of research improves the robustness and verifiability of systems synthesis tools, including the Complex Organizational Metric for Programmatic Risk Environments (COMPRE).

Mog, Robert A.↗

Special Issue: Geostatistics and Machine Learning

Abstract Recent years have seen a steady growth in the number of papers that apply machine learning methods to problems in the earth sciences. Although they have different origins, machine learning and geostatistics share concepts and methods. For example, the kriging formalism can be cast in the machine learning framework of Gaussian process regression. Machine learning, with its focus on algorithms and ability to seek, identify, and exploit hidden structures in big data sets, is providing new tools for exploration and prediction in the earth sciences. Geostatistics, on the other hand, offers interpretable models of spatial (and spatiotemporal) dependence. This special issue on Geostatistics and Machine Learning aims to investigate applications of machine learning methods as well as hybrid approaches combining machine learning and geostatistics which advance our understanding and predictive ability of spatial processes.

58 GEOSCIENCES↗

Transverse vorticity measurements using an array of four hot-wire probes

A comprehensive description of the technique used to obtain a time series of the quasi-instantaneous transverse vorticity from a four wire array of probes is presented. The algorithmic structure which supports the technique is described in detail and demonstration data, from a large plane shear layer, are presented to provide a specific utilization of the technique. Sensitivity calculations are provided which allow one contribution to the inherent uncertainty of the technique to be evaluated.

Foss, J. F.↗

Querying databases of trajectories of differential equations: Data structures for trajectories

One approach to qualitative reasoning about dynamical systems is to extract qualitative information by searching or making queries on databases containing very large numbers of trajectories. The efficiency of such queries depends crucially upon finding an appropriate data structure for trajectories of dynamical systems. Suppose that a large number of parameterized trajectories gamma of a dynamical system evolving in R sup N are stored in a database. Let Eta is contained in set R sup N denote a parameterized path in Euclidean Space, and let the Euclidean Norm denote a norm on the space of paths. A data structure is defined to represent trajectories of dynamical systems, and an algorithm is sketched which answers queries.

Grossman, Robert↗

Geopotential Error Analysis from Satellite Gradiometer and Global Positioning System Observables on Parallel Architecture

The recovery of a high resolution geopotential from satellite gradiometer observations motivates the examination of high performance computational techniques. The primary subject matter addresses specifically the use of satellite gradiometer and GPS observations to form and invert the normal matrix associated with a large degree and order geopotential solution. Memory resident and out-of-core parallel linear algebra techniques along with data parallel batch algorithms form the foundation of the least squares application structure. A secondary topic includes the adoption of object oriented programming techniques to enhance modularity and reusability of code. Applications implementing the parallel and object oriented methods successfully calculate the degree variance for a degree and order 110 geopotential solution on 32 processors of the Cray T3E. The memory resident gradiometer application exhibits an overall application performance of 5.4 Gflops, and the out-of-core linear solver exhibits an overall performance of 2.4 Gflops. The combination solution derived from a sun synchronous gradiometer orbit produce average geoid height variances of 17 millimeters.

Schutz, Bob E.↗

Nonlinear Aerodynamic Modeling From Flight Data Using Advanced Piloted Maneuvers and Fuzzy Logic

Results of the Aeronautics Research Mission Directorate Seedling Project Phase I research project entitled "Nonlinear Aerodynamics Modeling using Fuzzy Logic" are presented. Efficient and rapid flight test capabilities were developed for estimating highly nonlinear models of airplane aerodynamics over a large flight envelope. Results showed that the flight maneuvers developed, used in conjunction with the fuzzy-logic system identification algorithms, produced very good model fits of the data, with no model structure inputs required, for flight conditions ranging from cruise to departure and spin conditions.

Brandon, Jay M.↗

Characterization of robotics parallel algorithms and mapping onto a reconfigurable SIMD machine

The kinematics, dynamics, Jacobian, and their corresponding inverse computations are six essential problems in the control of robot manipulators. Efficient parallel algorithms for these computations are discussed and analyzed. Their characteristics are identified and a scheme on the mapping of these algorithms to a reconfigurable parallel architecture is presented. Based on the characteristics including type of parallelism, degree of parallelism, uniformity of the operations, fundamental operations, data dependencies, and communication requirement, it is shown that most of the algorithms for robotic computations possess highly regular properties and some common structures, especially the linear recursive structure. Moreover, they are well-suited to be implemented on a single-instruction-stream multiple-data-stream (SIMD) computer with reconfigurable interconnection network. The model of a reconfigurable dual network SIMD machine with internal direct feedback is introduced. A systematic procedure internal direct feedback is introduced. A systematic procedure to map these computations to the proposed machine is presented. A new scheduling problem for SIMD machines is investigated and a heuristic algorithm, called neighborhood scheduling, that reorders the processing sequence of subtasks to reduce the communication time is described. Mapping results of a benchmark algorithm are illustrated and discussed.

Lee, C. S. G.↗

A numerical approach to controller design with an application to a space structure test facility

An iterative numerical algorithm that improves feasible closed loop design criteria by updating the parameters of a linear controller is developed. The algorithm allows the use of experimentally derived data collected from the open loop plant. It eliminates the need for an accurate parametric model of the open loop system. Experimental results from the application of a controller designed for a large space structure ground test facility using the algorithm are presented.

Frazier, W. G.↗

Application of acoustic-Doppler current profiler and expendable bathythermograph measurements to the study of the velocity structure and transport of the Gulf Stream

The degree to which Acoustic-Doppler Current Profiler (ADCP) and expendable bathythermograph (XBT) data can provide quantitative measurements of the velocity structure and transport of the Gulf Stream is addressed. An algorithm is used to generate salinity from temperature and depth using an historical Temperature/Salinity relation for the NW Atlantic. Results have been simulated using CTD data and comparing real and pseudo salinity files. Errors are typically less than 2 dynamic cm for the upper 800 m out of a total signal of 80 cm (across the Gulf Stream). When combined with ADCP data for a near-surface reference velocity, transport errors in isopycnal layers are less than about 1 Sv (10 to the 6th power cu m/s), as is the difference in total transport for the upper 800 m between real and pseudo data. The method is capable of measuring the real variability of the Gulf Stream, and when combined with altimeter data, can provide estimates of the geoid slope with oceanic errors of a few parts in 10 to the 8th power over horizontal scales of 500 km.

Joyce, T. M.↗

BDDs for Representing Data in Runtime Verification

A BDD (Boolean Decision Diagram) is a data structure for the compact representation of a Boolean function. It is equipped with efficient algorithms for minimization and for applying Boolean operators. The use of BDDs for representing Boolean functions, combined with symbolic algorithms, facilitated a leap in the capability of model checking for the verification of systems with a huge number of states. Recently BDDs were considered as an efficient representation of data for Runtime Verification (RV). We review here the basic theory of BDDs and summarize their use in model checking and specifically in runtime verification.

Peled, Doron↗

Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments

Structural biology experiments benefit significantly from state-of-the-art synchrotron data collection. One can acquire macromolecular crystallography (MX) diffraction data on large-area photon-counting pixel-array detectors at framing rates exceeding 1000 frames per second, using 200 Gbps network connectivity, or higher when available. In extreme cases this represents a raw data throughput of about 25 GB s −1 , which is nearly impossible to deliver at reasonable cost without compression. Our field has used lossless compression for decades to make such data collection manageable. Many MX beamlines are now fitted with DECTRIS Eiger detectors, all of which are delivered with optimized compression algorithms by default, and they perform well with current framing rates and typical diffraction data. However, better lossless compression algorithms have been developed and are now available to the research community. Here one of the latest and most promising lossless compression algorithms is investigated on a variety of diffraction data like those routinely acquired at state-of-the-art MX beamlines.

36 MATERIALS SCIENCE↗

Execution time supports for adaptive scientific algorithms on distributed memory machines

Optimizations are considered that are required for efficient execution of code segments that consists of loops over distributed data structures. The PARTI (Parallel Automated Runtime Toolkit at ICASE) execution time primitives are designed to carry out these optimizations and can be used to implement a wide range of scientific algorithms on distributed memory machines. These primitives allow the user to control array mappings in a way that gives an appearance of shared memory. Computations can be based on a global index set. Primitives are used to carry out gather and scatter operations on distributed arrays. Communications patterns are derived at runtime, and the appropriate send and receive messages are automatically generated.

Berryman, Harry↗

Parameter estimation and error analysis in environmental modeling and computation

A method for the estimation of parameters and error analysis in the development of nonlinear modeling for environmental impact assessment studies is presented. The modular computer program can interactively fit different nonlinear models to the same set of data, dynamically changing the error structure associated with observed values. Parameter estimation techniques and sequential estimation algorithms employed in parameter identification and model selection are first discussed. Then, least-square parameter estimation procedures are formulated, utilizing differential or integrated equations, and are used to define a model for association of error with experimentally observed data.

Kalmaz, E. E.↗

Inversion of dynamical Bragg intensities to complex structure factors by iterated projections. For Ultramic. 2020. ("Pico" Festschrift, May 2021)

We discuss a method for recovering complex structure factors from many simultaneously excited Bragg beam intensities is described. The method is applied to simulated transmission electron diffraction data over a wide range of crystal thickness and beam energies. The method is based on iterated projections between structure and scattering matrices, which are related by a matrix unitary transformation, exponential, which we invert. The algorithm removes multiple-scattering perturbations from diffraction data and might be extended to other fields, including X-ray and neutron diffraction and cryo-electron microscopy. Because coherent multiple scattering involves interference between Bragg beams, the method also solves the phase problem. Unlike dynamical inversion from electron microscope images or ptychography data, the method, which starts with Bragg beam intensities, provides complex structure factors unaffected by focusing errors or resolution limitations imposed by lenses. We provide inversions from simulated data with 441 simultaneously excited Bragg beams over a range of thickness and beam energy. We discuss the retrieval of chirality information from enantiomorphs, the efficient incorporation of symmetry information using the irreducible representation of the group of structure matrices, and the effect of HOLZ lines to provide three-dimensional information.

97 MATHEMATICS AND COMPUTING↗

A Diagnosis-Prognosis Feedback Loop for Improved Performance Under Uncertainties

The feed-forward relationship between diagnosis and prognosis is the foundation of both aircraft structural health management and the digital twin concept. Measurements of structural response are obtained either in-situ with mounted sensor networks or offline using more traditional techniques (e.g., nondestructive evaluation). Diagnosis algorithms process this information to detect and quantify damage and then feed this data forward to a prognostic framework. A prognosis of the structure's future operational readiness (e.g., remaining useful life or residual strength) is then made and is used to inform mission- critical decision-making. Years of research have been devoted to improving the elements of this process, but the process itself has not changed significantly. Here, a new approach is proposed in which prognosis information is not only fed forward for decision-making, but it is also fed back to the forthcoming diagnosis. In this way, diagnosis algorithms can take advantage of a priori information about the expected state of health, rather than operating in an uninformed condition. As a feasibility test, a diagnosis-prognosis feedback loop of this manner is demonstrated. The approach is applied to a numerical example in which fatigue crack growth is simulated in a simple aluminum alloy test specimen. A prognosis was derived from a set of diagnoses which provided feedback to a subsequent set of diagnoses. Improvements in accuracy and a reduction in uncertainty in the prognosis- informed diagnoses were observed when compared with an uninformed diagnostic approach.

Leser, Patrick E.↗

Uncertainty in inventories for life cycle assessment: State‐of‐the‐art, challenges, and new technologies

Uncertainty is a critical factor that can hinder the quality and potential applications of life cycle assessment (LCA) results. A prominent source of uncertainty stems from the life cycle inventory (LCI) data. Various methodologies exist to estimate the uncertainty associated with LCI data, primarily based on the widely used structured pedigree matrix approach or the computationally intensive Monte Carlo simulation. This perspective review explores how new technologies (e.g., computational algorithms and data collection methods) from data science and related fields can contribute to identifying, quantifying, and reducing uncertainty in LCI modeling. A brief overview of the sources of uncertainty in LCI modeling and how they are addressed in current LCA practice is provided. Additionally, several new technologies are identified, and the potential benefits of their implementation in reducing uncertainties in LCI modeling are discussed. This perspective review concludes by identifying potential areas that require further development for these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics

The ab initio multiple spawning (AIMS) method enables nonadiabatic quantum molecular dynamics simulations in an arbitrary number of dimensions, with potential energy surfaces provided by electronic structure calculations performed on-the-fly. However, the intricacy of the AIMS algorithm complicates software development, deployment on modern shared computer resources, and post-simulation data analysis. PySpawn is a nonadiabatic molecular dynamics software package that addresses these issues. Here, the program is designed to be easily interfaced with electronic structure software, and an interface to the TeraChem software package is described here. PySpawn introduces a task-based reorganization of the AIMS algorithm, allowing fine-grained restart capability and setting the stage for efficient parallelization in a future release. PySpawn includes a user-friendly and interactive Python analysis module that will enable novice users to painlessly adopt AIMS. As a demonstration of PySpawn’s simulation capability and analysis module, we report complete active space self-consistent field–based AIMS simulations of the 1,2- dithienyl-1,2-dicyanoethene molecule, a promising molecular photoswitch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗