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At least 829 records · Page 46

Unstructured Finite Volume Computational Thermo-Fluid Dynamic Method for Multi-Disciplinary Analysis and Design Optimization

This paper describes a finite volume computational thermo-fluid dynamics method to solve for Navier-Stokes equations in conjunction with energy equation and thermodynamic equation of state in an unstructured coordinate system. The system of equations have been solved by a simultaneous Newton-Raphson method and compared with several benchmark solutions. Excellent agreements have been obtained in each case and the method has been found to be significantly faster than conventional Computational Fluid Dynamic(CFD) methods and therefore has the potential for implementation in Multi-Disciplinary analysis and design optimization in fluid and thermal systems. The paper also describes an algorithm of design optimization based on Newton-Raphson method which has been recently tested in a turbomachinery application.

Majumdar, Alok↗

Nacelle/Diverter Integration into the Design Optimization Process Using Pseudo, Warped, and Real Nacelles

The computational results of the optimized complete configurations, including nacelles and diverters, are presented in terms of drag count improvement compared with the TCA baseline configuration at Mach 2.4, C(sub L)=0.1. The three candidate designs are designated by the organization from which they were derived. ARC represents the Ames Research Center 1-03 design, BCAG represents the Boeing Commercial Aircraft Group's design from Seattle, and BLB represents the design from Boeing Long Beach. All CFD methods are in unanimous agreement that the Ames 1-03 configuration has the largest performance improvement, followed closely by the BCAG configuration, with a much smaller improvement attained by Boeing Long Beach. The Ames design was obtained using the single-block wing/body code SYN87-SB with its "pseudo" nacelle option-an elaborate technique for incorporating nacelle/diverter effects into the design optimization process. This technique uses AIRPLANE surface pressure coefficient data with and without the nacelles/diverters. Further details of this method are described. It is reasonable to expect that further improvements could be achieved by including the "real" nacelles directly into the optimization process by use of the newly-developed multiblock optimization code, SYN107-MB, which can handle full configurations.

Cliff, Susan E.↗

Adaptive Sampling of Time Series During Remote Exploration

This work deals with the challenge of online adaptive data collection in a time series. A remote sensor or explorer agent adapts its rate of data collection in order to track anomalous events while obeying constraints on time and power. This problem is challenging because the agent has limited visibility (all its datapoints lie in the past) and limited control (it can only decide when to collect its next datapoint). This problem is treated from an information-theoretic perspective, fitting a probabilistic model to collected data and optimizing the future sampling strategy to maximize information gain. The performance characteristics of stationary and nonstationary Gaussian process models are compared. Self-throttling sensors could benefit environmental sensor networks and monitoring as well as robotic exploration. Explorer agents can improve performance by adjusting their data collection rate, preserving scarce power or bandwidth resources during uninteresting times while fully covering anomalous events of interest. For example, a remote earthquake sensor could conserve power by limiting its measurements during normal conditions and increasing its cadence during rare earthquake events. A similar capability could improve sensor platforms traversing a fixed trajectory, such as an exploration rover transect or a deep space flyby. These agents can adapt observation times to improve sample coverage during moments of rapid change. An adaptive sampling approach couples sensor autonomy, instrument interpretation, and sampling. The challenge is addressed as an active learning problem, which already has extensive theoretical treatment in the statistics and machine learning literature. A statistical Gaussian process (GP) model is employed to guide sample decisions that maximize information gain. Nonsta tion - ary (e.g., time-varying) covariance relationships permit the system to represent and track local anomalies, in contrast with current GP approaches. Most common GP models are stationary, e.g., the covariance relationships are time-invariant. In such cases, information gain is independent of previously collected data, and the optimal solution can always be computed in advance. Information-optimal sampling of a stationary GP time series thus reduces to even spacing, and such models are not appropriate for tracking localized anomalies. Additionally, GP model inference can be computationally expensive.

Thompson, David R.↗

Understanding the Design Space of Sparse/Dense Multiphase Dataflows for Mapping Graph Neural Networks on Spatial Accelerators

Graph Neural Networks (GNNs) have garnered a lot of recent interest because of their success in learning representations from graph-structured data across several critical applications in cloud and HPC. Owing to their unique compute and memory characteristics that come from an interplay between dense and sparse phases of computations, the emergence of reconfigurable dataflow (aka spatial) accelerators offers promise for acceleration by mapping optimized dataflows (i.e., computation order and parallelism) for both phases. The goal of this work is to characterize and understand the design-space of dataflow choices for running GNNs on spatial accelerators in order for the compilers to optimize the dataflow based on the workload. Specifically, we propose a taxonomy to describe all possible choices for mapping the dense and sparse phases of GNNs spatially and temporally over a spatial accelerator, capturing both the intra-phase dataflow and the inter-phase (pipelined) dataflow. Using this taxonomy, we do deep-dives into the cost and benefits of several dataflows and perform case studies on implications of hardware parameters for dataflows and value of flexibility to support pipelined execution.

97 MATHEMATICS AND COMPUTING↗

Optimal Twirling Depth for Classical Shadows in the Presence of Noise

The classical shadows protocol is an efficient strategy for estimating properties of an unknown state p using a small number of state copies and measurements. In its original form, it involves twirling the state with unitaries from some ensemble and measuring the twirled state in a fixed basis. It was recently shown that for computing local properties, optimal sample complexity (copies of the state required) is remarkably achieved for unitaries drawn from shallow depth circuits composed of local entangling gates, as opposed to purely local (zero depth) or global twirling (infinite depth) ensembles. Here, we consider the sample complexity as a function of the depth of the circuit, in the presence of noise. We find that this noise has important implications for determining the optimal twirling ensemble. Under fairly general conditions, we (i) show that any single-site noise can be accounted for using a depolarizing noise channel with an appropriate damping parameter f, (ii) compute thresholds f th at which optimal twirling reduces to local twirling for Pauli operators, (iii) nth order Renyi entropies (n ≥2), and (iv) provide a meaningful upper bound t max on the optimal circuit depth for any finite noise strength f, which applies to observables and entanglement entropy measurements. In conclusion, these thresholds strongly constrain the search for optimal strategies to implement shadow tomography and are easily tailored to the experimental system at hand.

97 MATHEMATICS AND COMPUTING↗

Optimization of Aerospace Structure Subject to Damage Tolerance Criteria

The objective of this cooperative agreement was to seek computationally efficient ways to optimize aerospace structures subject to damage tolerance criteria. Optimization was to involve sizing as well as topology optimization. The work was done in collaboration with Steve Scotti, Chauncey Wu and Joanne Walsh at the NASA Langley Research Center. Computation of constraint sensitivity is normally the most time-consuming step of an optimization procedure. The cooperative work first focused on this issue and implemented the adjoint method of sensitivity computation in an optimization code (runstream) written in Engineering Analysis Language (EAL). The method was implemented both for bar and plate elements including buckling sensitivity for the latter. Lumping of constraints was investigated as a means to reduce the computational cost. Adjoint sensitivity computation was developed and implemented for lumped stress and buckling constraints. Cost of the direct method and the adjoint method was compared for various structures with and without lumping. The results were reported in two papers. It is desirable to optimize topology of an aerospace structure subject to a large number of damage scenarios so that a damage tolerant structure is obtained. Including damage scenarios in the design procedure is critical in order to avoid large mass penalties at later stages. A common method for topology optimization is that of compliance minimization which has not been used for damage tolerant design. In the present work, topology optimization is treated as a conventional problem aiming to minimize the weight subject to stress constraints. Multiple damage configurations (scenarios) are considered. Each configuration has its own structural stiffness matrix and, normally, requires factoring of the matrix and solution of the system of equations. Damage that is expected to be tolerated is local and represents a small change in the stiffness matrix compared to the baseline (undamaged) structure. The exact solution to a slightly modified set of equations can be obtained from the baseline solution economically without actually solving the modified system. Sherrnan-Morrison-Woodbury (SMW) formulas are matrix update formulas that allow this. SMW formulas were therefore used here to compute adjoint displacements for sensitivity computation and structural displacements in damaged configurations.

Akgun, Mehmet A.↗

Optimal Realization of Yang–Baxter Gate on Quantum Computers

Quantum computers provide a promising method to study the dynamics of many-body systems beyond classical simulation. On the other hand, the analytical methods developed and results obtained from the integrable systems provide deep insights on the many-body system. Quantum simulation of the integrable system not only provides a valid benchmark for quantum computers but is also the first step in studying integrable-breaking systems. The building block for the simulation of an integrable system is the Yang–Baxter gate. It is vital to know how to optimally realize the Yang–Baxter gates on quantum computers. Based on the geometric picture of the Yang–Baxter gates, the optimal realizations of two types of Yang–Baxter gates with a minimal number of controlled NOT (CNOT) or gates are presented. It is also shown how to systematically realize the Yang–Baxter gates via the pulse control. The different realizations on IBM quantum computers are tested and compared. It is found that the pulse realizations of the Yang–Baxter gates always have a higher gate fidelity compared to the optimal CNOT or realizations. On the basis of the above optimal realizations, the simulation of the Yang–Baxter equation on quantum computers is demonstrated. Finally, these results provide a guideline and standard for further experimental studies based on the Yang–Baxter gate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Non-iterative computation of the infimum in H-infinity-optimization for plants with invariant zeros on the j-omega axis

A simple and noniterative procedure for the computation of the exact value of the infimum in the singular H-infinity optimization problem is presented. The problem formulation is general, and no restrictions are placed on the finite and infinite zero structures of the system and on the direct feedthrough terms between the control input and the controlled output variables and between the disturbance input and the measurement output variables. The method is applicable to a class of singular H-infinity optimization problems for which the transfer functions from the control input to the controlled output and from the disturbance input to the measurement output satisfy certain geometric conditions. In particular, the authors extend the result of B. M. Chen et al. (1991) by allowing these two transfer functions to have invariant zeros on the j-omega axis.

Chen, Ben M.↗

Computationally Efficient Motion Planning Algorithms for Agile Autonomous Vehicles in Cluttered Environments

Fast, real-time motion planning of an agile, autonomous vehicle in a cluttered environment, with many geometrically-fixed obstacles, is a very complex problem, especially because of the vehicle dynamics constraints and resource constrained computational capabilities onboard the vehicle. In this paper, we present computationally-efficient versions of our novel motion planning algorithm called the Spherical Expansion and Sequential Convex Programming (SE–SCP) algorithm. The SE–SCP algorithm first uses a spherical-expansion-based randomized sampling algorithm to explore the workspace. Oncea path is found from the start position to the goal position, the algorithm computes a locally optimal trajectory, within its homotopy class for a desired cost function, by solving a sequence of convex optimization problems. Thus, the SE–SCP algorithm is anytime locally optimal and the trajectory is globally optimal if the number of samples tends to infinity. In this paper, we further enhance the computational efficiency of the SE–SCP algorithm using uni-directional and bi-directional rewiring techniques. We also present a detailed proof of the local optimality characteristics of the new SE–SCP algorithms for aspecial case of vehicle dynamics. Simulation examples involving quadrotor and spacecraft help demonstrate the effectiveness of our new algorithms.

Bandyopadhyay, Saptarshi↗

Optimal decision-making in high-throughput virtual screening pipelines

Screening large pools of molecular candidates to identify those with specific design criteria or targeted properties is demanding in various science and engineering domains. While a high-throughput virtual screening (HTVS) pipeline can provide efficient means to achieving this goal, its design and operation often rely on experts' intuition, potentially resulting in suboptimal performance. In this paper, we fill this critical gap by presenting a systematic framework that can maximize the return on computational investment (ROCI) of such HTVS campaigns. Based on various scenarios, we empirically validate the proposed framework and demonstrate its potential to accelerate scientific discoveries through optimal computational campaigns, especially in the context of virtual screening.

97 MATHEMATICS AND COMPUTING↗

Toward Adjoint-Based Aeroacoustic Optimization for Propeller and Rotorcraft Applications

The goal of the present project is to build a multidisciplinary, rapid, robust, and accurate computational tool to optimize wing-mounted propeller designs. The full Farassat’s formulation F1Afor aeroacoustic analysis is implemented in the open-source software SU2.This extension enables the prediction of far-field noise generated by moving sources. The formulation is verified, for a stationary and rotating sphere in a wind tunnel and for a tiltrotor in forward flight, by comparing the acoustic predictions ofSU2 with the predictions computed by NASA’s aeroacoustics code ANOPP2. The algorithmic differentiation capability of SU2 provides discretely consistent, adjoint-based sensitivity analysis for this formulation. The adjoint-based sensitivities are verified through comparison with complex-step sensitivities

R Omur Icke↗

Nonlinear Optimal Control of Electron Dynamics Within Hartree-Fock Theory

Consider the problem of determining the optimal applied electric field to drive a molecule from an initial state to a desired target state. For even moderately sized molecules, solving this problem directly using the exact equations of motion—the time-dependent Schrödinger equation (TDSE)—is numerically intractable. Here, we present a solution of this problem within time-dependent Hartree-Fock (TDHF) theory, a mean field approximation of the TDSE. Optimality is defined in terms of minimizing the total control effort while maximizing the overlap between desired and achieved target states. We frame this problem as an optimization problem constrained by the nonlinear TDHF equations; we solve it using trust region optimization with gradients computed via a custom-built adjoint state method. For three molecular systems, we show that with very small neural network parametrizations of the control, our method yields solutions that achieve desired targets within acceptable constraints and tolerances.

97 MATHEMATICS AND COMPUTING↗

Conjugate gradient optimization programs for shuttle reentry

Two computer programs for shuttle reentry trajectory optimization are listed and described. Both programs use the conjugate gradient method as the optimization procedure. The Phase 1 Program is developed in cartesian coordinates for a rotating spherical earth, and crossrange, downrange, maximum deceleration, total heating, and terminal speed, altitude, and flight path angle are included in the performance index. The programs make extensive use of subroutines so that they may be easily adapted to other atmospheric trajectory optimization problems.

Powers, W. F.↗

Application of numerical optimization to rotor aerodynamic design

Based on initial results obtained from the performance optimization code, a number of observations can be made regarding the utility of optimization codes in supporting design of rotors for improved performance. (1) The primary objective of improving the productivity and responsiveness of current design methods can be met. (2) The use of optimization allows the designer to consider a wider range of design variables in a greatly compressed time period. (3) Optimization requires the user to carefully define his problem to avoid unproductive use of computer resources. (4) Optimization will increase the burden on the analyst to validate designs and to improve the accuracy of analysis methods. (5) Direct calculation of finite difference derivatives by the optimizer was not prohibitive for this application but was expensive. Approximate analysis in some form would be considered to improve program response time. (6) Program developement is not complete and will continue to evolve to integrate new analysis methods, design problems, and alternate optimizer options.

Pleasants, W. A., III↗

Numerical and experimental analysis of a thin liquid film on a rotating disk related to development of a spacecraft absorption cooling system

The numerical and experimental analysis of a thin liquid film on a rotating and a stationary disk related to the development of an absorber unit for a high capacity spacecraft absorption cooling system, is described. The creation of artificial gravity by the use of a centrifugal field was focused upon in this report. Areas covered include: (1) One-dimensional computation of thin liquid film flows; (2) Experimental measurement of film height and visualization of flow; (3) Two-dimensional computation of the free surface flow of a thin liquid film using a pressure optimization method; (4) Computation of heat transfer in two-dimensional thin film flow; (5) Development of a new computational methodology for the free surface flows using a permeable wall; (6) Analysis of fluid flow and heat transfer in a thin film in the presence and absence of gravity; and (7) Comparison of theoretical prediction and experimental data. The basic phenomena related to fluid flow and heat transfer on rotating systems reported here can also be applied to other areas of space systems.

Faghri, Amir↗

An implementation of a tree code on a SIMD, parallel computer

We describe a fast tree algorithm for gravitational N-body simulation on SIMD parallel computers. The tree construction uses fast, parallel sorts. The sorted lists are recursively divided along their x, y and z coordinates. This data structure is a completely balanced tree (i.e., each particle is paired with exactly one other particle) and maintains good spatial locality. An implementation of this tree-building algorithm on a 16k processor Maspar MP-1 performs well and constitutes only a small fraction (approximately 15%) of the entire cycle of finding the accelerations. Each node in the tree is treated as a monopole. The tree search and the summation of accelerations also perform well. During the tree search, node data that is needed from another processor is simply fetched. Roughly 55% of the tree search time is spent in communications between processors. We apply the code to two problems of astrophysical interest. The first is a simulation of the close passage of two gravitationally, interacting, disk galaxies using 65,636 particles. We also simulate the formation of structure in an expanding, model universe using 1,048,576 particles. Our code attains speeds comparable to one head of a Cray Y-MP, so single instruction, multiple data (SIMD) type computers can be used for these simulations. The cost/performance ratio for SIMD machines like the Maspar MP-1 make them an extremely attractive alternative to either vector processors or large multiple instruction, multiple data (MIMD) type parallel computers. With further optimizations (e.g., more careful load balancing), speeds in excess of today's vector processing computers should be possible.

Olson, Kevin M.↗