A quantum-classical hybrid framework for optimal energy storage systems planning
Code of the journal paper "A quantum-classical hybrid framework for optimal energy storage systems planning"
Aboumrad, Willie [IonQ, Inc]↗
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Composable optimization and control toolkit for scientific applications
Applications of Artificial Intelligence (AI) and Machine Learning (ML) can improve the computational efficiency and scientific research output. In order to improve interoperability and reuse of AI/ML software, a composable approach is required. This talk presents a composable approach for scientific workflow development that allows seamless integration of various modules developed by independent researchers. These practices will reduce redundant software development by allowing re-use of workflow modules across projects, teams, departments and facilities. We will present three use cases that follow the composable approach namely, Scientific Optimization and Control Toolkit (SOCT), SciDAC QuantOm workflow, and JLab Nuclear Physics experimental workflows. This talk will dive deeper into SOCT and present the details of the composable code development for optimization and control algorithms using reinforcement learning.
Rajput, Kishansingh↗
Applications Performance Under MPL and MPI on NAS IBM SP2
On July 5, 1994, an IBM Scalable POWER parallel System (IBM SP2) with 64 nodes, was installed at the Numerical Aerodynamic Simulation (NAS) Facility Each node of NAS IBM SP2 is a "wide node" consisting of a RISC 6000/590 workstation module with a clock of 66.5 MHz which can perform four floating point operations per clock with a peak performance of 266 Mflop/s. By the end of 1994, 64 nodes of IBM SP2 will be upgraded to 160 nodes with a peak performance of 42.5 Gflop/s. An overview of the IBM SP2 hardware is presented. The basic understanding of architectural details of RS 6000/590 will help application scientists the porting, optimizing, and tuning of codes from other machines such as the CRAY C90 and the Paragon to the NAS SP2. Optimization techniques such as quad-word loading, effective utilization of two floating point units, and data cache optimization of RS 6000/590 is illustrated, with examples giving performance gains at each optimization step. The conversion of codes using Intel's message passing library NX to codes using native Message Passing Library (MPL) and the Message Passing Interface (NMI) library available on the IBM SP2 is illustrated. In particular, we will present the performance of Fast Fourier Transform (FFT) kernel from NAS Parallel Benchmarks (NPB) under MPL and MPI. We have also optimized some of Fortran BLAS 2 and BLAS 3 routines, e.g., the optimized Fortran DAXPY runs at 175 Mflop/s and optimized Fortran DGEMM runs at 230 Mflop/s per node. The performance of the NPB (Class B) on the IBM SP2 is compared with the CRAY C90, Intel Paragon, TMC CM-5E, and the CRAY T3D.
Saini, Subhash↗
Legacy Code Modernization
Over the past decade, high performance computing has evolved rapidly; systems based on commodity microprocessors have been introduced in quick succession from at least seven vendors/families. Porting codes to every new architecture is a difficult problem; in particular, here at NASA, there are many large CFD applications that are very costly to port to new machines by hand. The LCM ("Legacy Code Modernization") Project is the development of an integrated parallelization environment (IPE) which performs the automated mapping of legacy CFD (Fortran) applications to state-of-the-art high performance computers. While most projects to port codes focus on the parallelization of the code, we consider porting to be an iterative process consisting of several steps: 1) code cleanup, 2) serial optimization,3) parallelization, 4) performance monitoring and visualization, 5) intelligent tools for automated tuning using performance prediction and 6) machine specific optimization. The approach for building this parallelization environment is to build the components for each of the steps simultaneously and then integrate them together. The demonstration will exhibit our latest research in building this environment: 1. Parallelizing tools and compiler evaluation. 2. Code cleanup and serial optimization using automated scripts 3. Development of a code generator for performance prediction 4. Automated partitioning 5. Automated insertion of directives. These demonstrations will exhibit the effectiveness of an automated approach for all the steps involved with porting and tuning a legacy code application for a new architecture.
Hribar, Michelle R.↗
Optimal design of composite hip implants using NASA technology
Using an adaptation of NASA software, we have investigated the use of numerical optimization techniques for the shape and material optimization of fiber composite hip implants. The original NASA inhouse codes, were originally developed for the optimization of aerospace structures. The adapted code, which was called OPORIM, couples numerical optimization algorithms with finite element analysis and composite laminate theory to perform design optimization using both shape and material design variables. The external and internal geometry of the implant and the surrounding bone is described with quintic spline curves. This geometric representation is then used to create an equivalent 2-D finite element model of the structure. Using laminate theory and the 3-D geometric information, equivalent stiffnesses are generated for each element of the 2-D finite element model, so that the 3-D stiffness of the structure can be approximated. The geometric information to construct the model of the femur was obtained from a CT scan. A variety of test cases were examined, incorporating several implant constructions and design variable sets. Typically the code was able to produce optimized shape and/or material parameters which substantially reduced stress concentrations in the bone adjacent of the implant. The results indicate that this technology can provide meaningful insight into the design of fiber composite hip implants.
Blake, T. A.↗
Design and aerodynamic performance evaluation of a high-work mixed flow turbine stage
As axial and radial turbine designs have been pushed to their aerothermodynamic and mechanical limits, the mixed-flow turbine (MFT) concept has been projected to offer performance and durability improvements, especially when ceramic materials are considered. The objective of this NASA/U.S. Army sponsored mixed-flow turbine (AMFT) program was to determine the level of performance attainable with MFT technology within the mechanical constraints of 1997 projected ceramic material properties. The MFT geometry is similar to a radial turbine, exhibiting a large radius change from inlet to exit, but differing in that the inlet flowpath is not purely radial, nor axial, but mixed; it is the inlet geometry that gives rise to the name 'mixed-flow'. The 'mixed' orientation of the turbine inlet offers several advantages over radial designs by allowing a nonzero inlet blade angle yet maintaining radial-element blades. The oblique inlet not only improves the particle-impact survivability of the design, but improves the aerodynamic performance by reducing the incidence at the blade inlet. The difficulty, however, of using mixed-flow geometry lies in the scarcity of detailed data and documented design experience. This paper reports the design of a MFT stage designed with the intent to maximize aerodynamic performance by optimizing design parameters such as stage reaction, rotor incidence, flowpath shape, blade shape, vane geometry, and airfoil counts using 2-D, 3-D inviscid, and 3-D viscous computational fluid dynamics code. The aerodynamic optimization was accomplished while maintaining mechanical integrity with respect to vibration and stress levels in the rotor. A full-scale cold-flow rig test was performed with metallic hardware fabricated to the specifications of the hot ceramic geometry to evaluate the stage performance.
Neri, Remo N.↗
A study of the optimization method used in the NAVY/NASA gas turbine engine computer code
Sources of numerical noise affecting the convergence properties of the Powell's Principal Axis Method of Optimization in the NAVY/NASA gas turbine engine computer code were investigated. The principal noise source discovered resulted from loose input tolerances used in terminating iterations performed in subroutine CALCFX to satisfy specified control functions. A minor source of noise was found to be introduced by an insufficient number of digits in stored coefficients used by subroutine THERM in polynomial expressions of thermodynamic properties. Tabular results of several computer runs are presented to show the effects on program performance of selective corrective actions taken to reduce noise.
Horsewood, J. L.↗
Codes for a priority queue on a parallel data bus
Some codes for arbitration of priorities among subsystem computers or peripheral device controllers connected to a parallel data bus are described. At arbitration time, several subsystems present wire-OR, parallel code words to the bus, and the central computer can identify the subsystem of highest priority and determine which of two or more transmission services the subsystem requires. A mathematical discussion of the optimality of the codes with regard to the number of subsystems that may participate in the scheme for a given number of wires is presented along with the number of services that each subsystem may request.
Wallis, D. E.↗
Nonequilibrium radiative heating prediction method for aeroassist flowfields with coupling to flowfield solvers
A method for predicting radiation adsorption and emission coefficients in thermochemical nonequilibrium flows is developed. The method is called the Langley optimized radiative nonequilibrium code (LORAN). It applies the smeared band approximation for molecular radiation to produce moderately detailed results and is intended to fill the gap between detailed but costly prediction methods and very fast but highly approximate methods. The optimization of the method to provide efficient solutions allowing coupling to flowfield solvers is discussed. Representative results are obtained and compared to previous nonequilibrium radiation methods, as well as to ground- and flight-measured data. Reasonable agreement is found in all cases. A multidimensional radiative transport method is also developed for axisymmetric flows. Its predictions for wall radiative flux are 20 to 25 percent lower than those of the tangent slab transport method, as expected, though additional investigation of the symmetry and outflow boundary conditions is indicated. The method was applied to the peak heating condition of the aeroassist flight experiment (AFE) trajectory, with results comparable to predictions from other methods. The LORAN method was also applied in conjunction with the computational fluid dynamics (CFD) code LAURA to study the sensitivity of the radiative heating prediction to various models used in nonequilibrium CFD. This study suggests that radiation measurements can provide diagnostic information about the detailed processes occurring in a nonequilibrium flowfield because radiation phenomena are very sensitive to these processes.
Hartung, Lin C.↗
Optimal design of geodesically stiffened composite cylindrical shells
An optimization system based on general-purpose finite element code CSM Testbed and optimization program ADS is described. The system can be used to obtain minimum-mass designs of composite shell structures with complex stiffening arrangements. Ply thicknesses, ply orientations, and stiffener heights can be used as design variables. Buckling, displacement, and material failure constraints can be imposed on the design. The system is used to conduct a preliminary design study of geodesically stiffened shells. For comparison purposes, optimal designs of unstiffened shells, and ring and longitudinal stringer stiffened shells are also studied. Trends in the design of geodesically stiffened shells are identified. Features that enhance the capabilities and efficiency of the design system are described.
Gendron, G.↗
Towards Gradient-Based Proprotor Design with VSPAERO
Gradient-based optimization techniques are an attractive approach to solving multidisciplinary design problems. In this work, the status of gradient-based proprotor optimizations with the VSPAERO code are described.
Multidisciplinary optimization↗
An Atmospheric General Circulation Model with Chemistry for the CRAY T3E: Design, Performance Optimization and Coupling to an Ocean Model
The design, implementation and performance optimization on the CRAY T3E of an atmospheric general circulation model (AGCM) which includes the transport of, and chemical reactions among, an arbitrary number of constituents is reviewed. The parallel implementation is based on a two-dimensional (longitude and latitude) data domain decomposition. Initial optimization efforts centered on minimizing the impact of substantial static and weakly-dynamic load imbalances among processors through load redistribution schemes. Recent optimization efforts have centered on single-node optimization. Strategies employed include loop unrolling, both manually and through the compiler, the use of an optimized assembler-code library for special function calls, and restructuring of parts of the code to improve data locality. Data exchanges and synchronizations involved in coupling different data-distributed models can account for a significant fraction of the running time. Therefore, the required scattering and gathering of data must be optimized. In systems such as the T3E, there is much more aggregate bandwidth in the total system than in any particular processor. This suggests a distributed design. The design and implementation of a such distributed 'Data Broker' as a means to efficiently couple the components of our climate system model is described.
Farrara, John D.↗
Bridging Python to Silicon: The SODA Toolchain
Systems performing scientific computing, data analysis, and machine learning tasks have a growing demand for application-specific accelerators that can provide high computational performance while meeting strict size and power requirements. However, the algorithms and applications that need to be accelerated are evolving at a rate that is incompatible with manual design processes based on hardware description languages. Agile hardware design tools based on compiler techniques can help by quickly producing an application-specific integrated circuit (ASIC) accelerator starting from a high-level algorithmic description. Here, we present the software-defined accelerator (SODA) synthesizer, a modular and open-source hardware compiler that provides automated end-to-end synthesis from high-level software frameworks to ASIC implementation, relying on multilevel representations to progressively lower and optimize the input code. Our approach does not require the application developer to write any register-transfer level code, and it is able to reach up to 364 giga floating point operations per second (GFLOPS)/W efficiency (32-bit precision) on typical convolutional neural network operators.
97 MATHEMATICS AND COMPUTING↗
On relaxations of the max k -cut problem formulations
Here, a tight continuous relaxation is a crucial factor in solving mixed integer formulations of many NP-hard combinatorial optimization problems. The (weighted) max k-cut problem is a fundamental combinatorial optimization problem with multiple notorious mixed integer optimization formulations. In this paper, we explore four existing mixed integer optimization formulations of the max k-cut problem. Specifically, we show that the continuous relaxation of a binary quadratic optimization formulation of the problem is: (i) stronger than the continuous relaxation of two mixed integer linear optimization formulations and (ii) at least as strong as the continuous relaxation of a mixed integer semidefinite optimization formulation. We also conduct a set of experiments on multiple sets of instances of the max k-cut problem using state-of-the-art solvers that empirically confirm the theoretical results in item (i). Furthermore, these numerical results illustrate the advances in the efficiency of global non-convex quadratic optimization solvers and more general mixed integer nonlinear optimization solvers. As a result, these solvers provide a promising option to solve combinatorial optimization problems. Our codes and data are available on GitHub.
97 MATHEMATICS AND COMPUTING↗
Innovations in optimization and control of accelerators using methods of differential geometry and genetic algorithms (Final Report)
Online tuning of particle accelerators is necessary in order to achieve optimal machine performance. However, it is also a major challenge due to the large parameter space which must be searched and the fact that many of the desir- able objectives compete with one another, and so will not reach their optimal values simultaneously. In order to mitigate these issues, we have explored using dimension-reduction techniques to reduce the size of the parameter space which must be searched and multi-objective genetic algorithms to obtain the sets of tuning parameters which provide pareto-optimal values for the objectives. These methods have enabled us to obtain improved values of the vertical emittance at the Cornell Electron Storage Ring (CESR), and to do so with greater control of orbit errors. Algorithmic tuning is a multidisciplinary endeavour, requiring expertise in beam dynamics, diagnostics, control systems and computer science, and thus a key practical problem is to formulate a common language in which experts with different specialties can communicate. We developed a solution to this problem in the form of a generic accelerator software interface that allows for rapid prototyping of optimization and control algorithms. Our interface is built on the Experimental Physics and Industrial Control Systems (EPICS) and makes possible testing control code in simulation before deployment on real accelerators, as well as deployment of third-party optimization code.
43 PARTICLE ACCELERATORS↗
An Exploration of Global Optimization Strategies for Autotuning OpenMP-based Codes
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Computer science↗
Optimizing quasi-cyclic spatially coupled LDPC codes by eliminating harmful objects
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Massimo Battaglioni↗
Engineering Overview of a Multidisciplinary HSCT Design Framework Using Medium-Fidelity Analysis Codes
An objective of the HPCC Program at NASA Langley has been to promote the use of advanced computing techniques to more rapidly solve the problem of multidisciplinary optimization of a supersonic transport configuration. As a result, a software system has been designed and is being implemented to integrate a set of existing discipline analysis codes, some of them CPU-intensive, into a distributed computational framework for the design of a High Speed Civil Transport (HSCT) configuration. The proposed paper will describe the engineering aspects of integrating these analysis codes and additional interface codes into an automated design system. The objective of the design problem is to optimize the aircraft weight for given mission conditions, range, and payload requirements, subject to aerodynamic, structural, and performance constraints. The design variables include both thicknesses of structural elements and geometric parameters that define the external aircraft shape. An optimization model has been adopted that uses the multidisciplinary analysis results and the derivatives of the solution with respect to the design variables to formulate a linearized model that provides input to the CONMIN optimization code, which outputs new values for the design variables. The analysis process begins by deriving the updated geometries and grids from the baseline geometries and grids using the new values for the design variables. This free-form deformation approach provides internal FEM (finite element method) grids that are consistent with aerodynamic surface grids. The next step involves using the derived FEM and section properties in a weights process to calculate detailed weights and the center of gravity location for specified flight conditions. The weights process computes the as-built weight, weight distribution, and weight sensitivities for given aircraft configurations at various mass cases. Currently, two mass cases are considered: cruise and gross take-off weight (GTOW). Weights information is obtained from correlations of data from three sources: 1) as-built initial structural and non-structural weights from an existing database, 2) theoretical FEM structural weights and sensitivities from Genesis, and 3) empirical as-built weight increments, non-structural weights, and weight sensitivities from FLOPS. For the aeroelastic analysis, a variable-fidelity aerodynamic analysis has been adopted. This approach uses infrequent CPU-intensive non-linear CFD to calculate a non-linear correction relative to a linear aero calculation for the same aerodynamic surface at an angle of attack that results in the same configuration lift. For efficiency, this nonlinear correction is applied after each subsequent linear aero solution during the iterations between the aerodynamic and structural analyses. Convergence is achieved when the vehicle shape being used for the aerodynamic calculations is consistent with the structural deformations caused by the aerodynamic loads. To make the structural analyses more efficient, a linearized structural deformation model has been adopted, in which a single stiffness matrix can be used to solve for the deformations under all the load conditions. Using the converged aerodynamic loads, a final set of structural analyses are performed to determine the stress distributions and the buckling conditions for constraint calculation. Performance constraints are obtained by running FLOPS using drag polars that are computed using results from non-linear corrections to the linear aero code plus several codes to provide drag increments due to skin friction, wave drag, and other miscellaneous drag contributions. The status of the integration effort will be presented in the proposed paper, and results will be provided that illustrate the degree of accuracy in the linearizations that have been employed.
Weston, R. P.↗