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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Lightweight Data Integration Using Multi-Workflow Provenance and Data Observability

Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a crucial role in scientific discovery, especially in the current AI era, by enabling Responsible AI development, FAIR, Reproducibility, and User Steering. However, the heterogeneous nature of science poses challenges such as dealing with multiple supporting tools, cross-facility environments, and efficient HPC execution. Building on data observability, adapter system design, and provenance, we propose MIDA: an approach for lightweight runtime Multi-workflow Integrated Data Analysis. MIDA defines data observability strategies and adaptability methods for various parallel systems and machine learning tools. With observability, it intercepts the dataflows in the background without requiring instrumentation while integrating domain, provenance, and telemetry data at runtime into a unified database ready for user steering queries. We conduct experiments showing end-to-end multi-workflow analysis integrating data from Dask and MLFlow in a real distributed deep learning use case for materials science that runs on multiple environments with up to 276 GPUs in parallel. We show near-zero overhead running up to 100,000 tasks on 1,680 CPU cores on the Summit supercomputer.

Santos Souza, Renan↗
NASA NTRS1986

Adaptive finite element methods for compressible flow problems

Some recent work on adaptive FEMs for solving transient Euler equations in two-dimensional domains is summarized. The formulation of an FEM model of the Euler equations is shown, and the application of the adaptive strategies to data management schemes is addressed. Sample numerical results from the application of the model and strategies to the flow over a step and to transient cases are given.

Oden, J. T.↗
NASA NTRS1999

An Adaptive Unstructured Grid Method by Grid Subdivision, Local Remeshing, and Grid Movement

An unstructured grid adaptation technique has been developed and successfully applied to several three dimensional inviscid flow test cases. The approach is based on a combination of grid subdivision, local remeshing, and grid movement. For solution adaptive grids, the surface triangulation is locally refined by grid subdivision, and the tetrahedral grid in the field is partially remeshed at locations of dominant flow features. A grid redistribution strategy is employed for geometric adaptation of volume grids to moving or deforming surfaces. The method is automatic and fast and is designed for modular coupling with different solvers. Several steady state test cases with different inviscid flow features were tested for grid/solution adaptation. In all cases, the dominant flow features, such as shocks and vortices, were accurately and efficiently predicted with the present approach. A new and robust method of moving tetrahedral "viscous" grids is also presented and demonstrated on a three-dimensional example.

Pirzadeh, Shahyar Z.↗
NASA NTRS2004

Validation of an Adaptive Combustion Instability Control Method for Gas-Turbine Engines

This paper describes ongoing testing of an adaptive control method to suppress high frequency thermo-acoustic instabilities like those found in lean-burning, low emission combustors that are being developed for future aircraft gas turbine engines. The method called Adaptive Sliding Phasor Averaged Control, was previously tested in an experimental rig designed to simulate a combustor with an instability of about 530 Hz. Results published earlier, and briefly presented here, demonstrated that this method was effective in suppressing the instability. Because this test rig did not exhibit a well pronounced instability, a question remained regarding the effectiveness of the control methodology when applied to a more coherent instability. To answer this question, a modified combustor rig was assembled at the NASA Glenn Research Center in Cleveland, Ohio. The modified rig exhibited a more coherent, higher amplitude instability, but at a lower frequency of about 315 Hz. Test results show that this control method successfully reduced the instability pressure of the lower frequency test rig. In addition, due to a certain phenomena discovered and reported earlier, the so called Intra-Harmonic Coupling, a dramatic suppression of the instability was achieved by focusing control on the second harmonic of the instability. These results and their implications are discussed, as well as a hypothesis describing the mechanism of intra-harmonic coupling.

Kopasakis, George↗
DOE OSTI2023

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

The many-body simulation of quantum systems is an active field of research that involves several different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage the latest advances in modern high-performance computing. Selected configuration interaction (sCI) methods have seen extensive usage and development in recent years. However, the development of sCI methods targeting massively parallel resources has been explored only in a few research works. Here, we present a parallel, distributed memory implementation of the adaptive sampling configuration interaction approach (ASCI) for sCI. In particular, we will address the key concerns pertaining to the parallelization of the determinant search and selection, Hamiltonian formation, and the variational eigenvalue calculation for the ASCI method. Load balancing in the search step is achieved through the application of memory-efficient determinant constraints originally developed for the ASCI-PT2 method. The presented benchmarks demonstrate near optimal speedup for ASCI calculations of Cr 2 (24e, 30o) with 10 6 , 10 7 , and 3 × 10 8 variational determinants on up to 16 384 CPUs. Importantly, to the best of the authors’ knowledge, this is the largest variational ASCI calculation to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Optical Profilometers Using Adaptive Signal Processing

A method of adaptive signal processing has been proposed as the basis of a new generation of interferometric optical profilometers for measuring surfaces. The proposed profilometers would be portable, hand-held units. Sizes could be thus reduced because the adaptive-signal-processing method would make it possible to substitute lower-power coherent light sources (e.g., laser diodes) for white light sources and would eliminate the need for most of the optical components of current white-light profilometers. The adaptive-signal-processing method would make it possible to attain scanning ranges of the order of decimeters in the proposed profilometers.

Hall, Gregory A.↗
NASA NTRS1975

The stochastic control of the F-8C aircraft using the multiple model adaptive control /MMAC/ method

The purpose of this paper is to summarize results obtained for the adaptive control of the F-8C aircraft using the so-called MMAC method. The discussion includes the selection of the performance criteria for both the lateral and the longitudinal dynamics, the design of the Kalman filters for different flight conditions, the 'identification' aspects of the design using hypothesis testing ideas, and the performance of the closed loop adaptive system.

Athans, M.↗
NASA NTRS2003

System and method for the adaptive mapping of matrix data to sets of polygons

A system and method for converting bitmapped data, for example, weather data or thermal imaging data, to polygons is disclosed. The conversion of the data into polygons creates smaller data files. The invention is adaptive in that it allows for a variable degree of fidelity of the polygons. Matrix data is obtained. A color value is obtained. The color value is a variable used in the creation of the polygons. A list of cells to check is determined based on the color value. The list of cells to check is examined in order to determine a boundary list. The boundary list is then examined to determine vertices. The determination of the vertices is based on a prescribed maximum distance. When drawn, the ordered list of vertices create polygons which depict the cell data. The data files which include the vertices for the polygons are much smaller than the corresponding cell data files. The fidelity of the polygon representation can be adjusted by repeating the logic with varying fidelity values to achieve a given maximum file size or a maximum number of vertices per polygon.

Burdon, David↗
NASA NTRS1994

An HP Adaptive Discontinuous Galerkin Method for Hyperbolic Conservation Laws

This dissertation addresses various issues for model classes of hyperbolic conservation laws. The basic approach developed in this work employs a new family of adaptive, hp-version, finite element methods based on a special discontinuous Galerkin formulation for hyperbolic problems. The discontinuous Galerkin formulation admits high-order local approximations on domains of quite general geometry, while providing a natural framework for finite element approximations and for theoretical developments. The use of hp-versions of the finite element method makes possible exponentially convergent schemes with very high accuracies in certain cases; the use of adaptive hp-schemes allows h-refinement in regions of low regularity and p-enrichment to deliver high accuracy, while keeping problem sizes manageable and dramatically smaller than many conventional approaches. The use of discontinuous Galerkin methods is uncommon in applications, but the methods rest on a reasonable mathematical basis for low-order cases and has local approximation features that can be exploited to produce very efficient schemes, especially in a parallel, multiprocessor environment. The place of this work is to first and primarily focus on a model class of linear hyperbolic conservation laws for which concrete mathematical results, methodologies, error estimates, convergence criteria, and parallel adaptive strategies can be developed, and to then briefly explore some extensions to more general cases. Next, we provide preliminaries to the study and a review of some aspects of the theory of hyperbolic conservation laws. We also provide a review of relevant literature on this subject and on the numerical analysis of these types of problems.

Bey, Kim S.↗
NASA NTRS1977

The stochastic control of the F-8C aircraft using a multiple model adaptive control /MMAC/ method. I - Equilibrium flight

The purpose of this paper is to summarize some results obtained for the adaptive control of the F-8C aircraft using the so-called MMAC method. The discussion includes the selection of the performance criteria for both the lateral and the longitudinal dynamics, the design of the Kalman filters for different flight conditions, the 'identification' aspects of the design using hypothesis testing ideas, and the performance of the closed-loop adaptive system.

Athans, M.↗
DOE OSTI2023

Sparse adaptive basis set methods for solution of the time dependent Schrodinger equation

Scalable numerical solutions to the time dependent Schrodinger equation remain an outstanding goal in theoretical chemistry. Here we present a method which utilises recent breakthroughs in signal processing to consistently adapt a dictionary of basis functions to the dynamics of the system. Further, we show that for two low-dimensional model problems the size of the basis set does not grow quickly with time and appears only weakly dependent on dimensionality. The generality of this finding remains to be seen. The method primarily uses energies and gradients of the potential, opening the possibility for its use in on-the-fly ab initio quantum wavepacket dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Implementing Ordinary Differential Equation Solvers in Rust Programming Language for Modeling Vehicle Powertrain Systems: Preprint

Efficient and accurate ordinary differential equation (ODE) solvers are necessary for powertrain and vehicle dynamics modeling. However, current commercial ODE solvers can be financially prohibitive, leading to a need for accessible, effective, open-source ODE solvers designed for powertrain modeling. Rust is a compiled programming language that has the potential to be used for fast and easy-to-use powertrain models, given its exceptional computational performance, robust package ecosystem, and short time required for modelers to become proficient. However, of the three commonly used (>3,000 downloads) packages in Rust with ODE solver capabilities, only one has more than four numerical methods implemented, and none are designed specifically for modeling physical systems. Therefore, the goal of the Differential Equation System Solver (DESS) was to implement accurate ODE solvers in Rust designed for the component-based problems often seen in powertrain modeling. DESS is a text-based software package that provides a flexible framework for building and solving systems of ODEs. This allows DESS to be included as a dependency for automotive powertrain models that require a variety of solvers and solver configurations. Seven explicit ODE solver methods have been implemented in DESS: Euler’s, Heun’s, midpoint, Ralston’s, classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These represent five fixed-step methods and two adaptive-step methods. This paper shows that the solver implementations increase accuracy and computational efficiency compared to Euler's method when modeling a system of three thermal masses in Rust. DESS also includes features designed for modeling component-based physical systems. Users can define relationships between nodes in their system, which the package then translates into a system of equations, leading to simpler and more intuitive code. In the case of a three-thermal-mass system, the user can specify node thermal properties (e.g., thermal capacitance), how nodes are interconnected, and thermal conductance between nodes rather than providing a system of equations. The core contribution from this work is an open-source, text-based Rust package with ODE solvers for automotive powertrain modeling to support cost-free, fast, and accurate simulation.

ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1991

Adaptive unstructured mesh methods for steady viscous flow

The solution of the equations governing steady laminar viscous flows on unstructured triangular meshes is addressed. The shortcomings of the standard adaptivity approaches for this class of problems are highlighted and a modified method based upon the combined use of mesh enrichment, mesh movement, and adaptive remeshing, is proposed. The behavior of the proposed scheme is demonstrated by applying it in the solution of compression corner flows.

Hassan, O.↗
NASA NTRS2018

Unstructured Grid Adaptation and Solver Technology for Turbulent Flows

Unstructured grid adaptation is a tool to control Computational Fluid Dynamics (CFD) discretization error. However, adaptive grid techniques have made limited impact on production analysis workflows where the control of discretization error is critical to obtaining reliable simulation results. Issues that prevent the use of adaptive grid methods are identified by applying unstructured grid adaptation methods to a series of benchmark cases. Once identified, these challenges to existing adaptive workflows can be addressed. Unstructured grid adaptation is evaluated for test cases described on the Turbulence Modeling Resource (TMR) web site, which documents uniform grid refinement of multiple schemes. The cases are turbulent flow over a Hemisphere Cylinder and an ONERA M6Wing. Adaptive grid force and moment trajectories are shown for three integrated grid adaptation processes with Mach interpolation control and output error based metrics. The integrated grid adaptation process with a finite element (FE) discretization produced results consistent with uniform grid refinement of fixed grids. The integrated grid adaptation processes with finite volume schemes were slower to converge to the reference solution than the FE method. Metric conformity is documented on grid/metric snapshots for five grid adaptation mechanics implementations. These tools produce anisotropic boundary conforming grids requested by the adaptation process.

Park, Michael A.↗
DOE OSTI2022

Historical review and proof-of-concept future method demonstration of adaptive mesh refinement in nuclear engineering for increased fidelity and computational efficiency

As the nuclear industry's use of computational tool increases, the need for increased fidelity and computational efficiency is well known. While most approaches to increased fidelity rely on applying a fine mesh over the problem domain, a more efficient method is to apply an adaptive mesh refinement (AMR) algorithm to the mesh definition. In the field of nuclear engineering, AMR has previously been used in conjunction with deterministic methods, including: S{sub N} transport methods, Lattice Boltzmann Methods, and COMSOL. The future of AMR in nuclear engineering is to couple it to a Monte Carlo code with the goal of reducing calculation time. A proof-of-concept example yielded positive results for using the gradient of the flux as a refinement criteria. The refinement criteria was varied from 0.01 to 0.10, which yielded a recommended range of 0.01 to 0.04, and the number of refinement iterations was varied from 0 to 7, with diminishing returns seen after 5 iterations. After the success of the proof-of-concept exercise, work began on creating a full program coupling MCNP6.2 and the AMR algorithm in the deal.II library. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2001

Vortical Flow Prediction Using an Adaptive Unstructured Grid Method

A computational fluid dynamics (CFD) method has been employed to compute vortical flows around slender wing/body configurations. The emphasis of the paper is on the effectiveness of an adaptive grid procedure in "capturing" concentrated vortices generated at sharp edges or flow separation lines of lifting surfaces flying at high angles of attack. The method is based on a tetrahedral unstructured grid technology developed at the NASA Langley Research Center. Two steady-state, subsonic, inviscid and Navier-Stokes flow test cases are presented to demonstrate the applicability of the method for solving practical vortical flow problems. The first test case concerns vortex flow over a simple 65' delta wing with different values of leading-edge bluntness, and the second case is that of a more complex fighter configuration. The superiority of the adapted solutions in capturing the vortex flow structure over the conventional unadapted results is demonstrated by comparisons with the windtunnel experimental data. The study shows that numerical prediction of vortical flows is highly sensitive to the local grid resolution and that the implementation of grid adaptation is essential when applying CFD methods to such complicated flow problems.

Pirzadeh, Shahyar Z.↗
NASA NTRS2001

Vortical Flow Prediction Using an Adaptive Unstructured Grid Method

A computational fluid dynamics (CFD) method has been employed to compute vortical flows around slender wing/body configurations. The emphasis of the paper is on the effectiveness of an adaptive grid procedure in "capturing" concentrated vortices generated at sharp edges or flow separation lines of lifting surfaces flying at high angles of attack. The method is based on a tetrahedral unstructured grid technology developed at the NASA Langley Research Center. Two steady-state, subsonic, inviscid and Navier-Stokes flow test cases are presented to demonstrate the applicability of the method for solving practical vortical flow problems. The first test case concerns vortex flow over a simple 65deg delta wing with different values of leading-edge bluntness, and the second case is that of a more complex fighter configuration. The superiority of the adapted solutions in capturing the vortex flow structure over the conventional unadapted results is demonstrated by comparisons with the windtunnel experimental data. The study shows that numerical prediction of vortical flows is highly sensitive to the local grid resolution and that the implementation of grid adaptation is essential when applying CFD methods to such complicated flow problems.

Pirzadeh, Shahyar Z.↗