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Results for “Approximate Computing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Generation of a novel phase-space-based cylindrical dose kernel for IMRT optimization

Purpose: Improving dose calculation accuracy is crucial in intensity-modulated radiation therapy (IMRT). We have developed a method for generating a phase-space-based dose kernel for IMRT planning of lung cancer patients. Methods: Particle transport in the linear accelerator treatment head of a 21EX, 6 MV photon beam (Varian Medical Systems, Palo Alto, CA) was simulated using the EGSnrc/BEAMnrc code system. The phase space information was recorded under the secondary jaws. Each particle in the phase space file was associated with a beamlet whose index was calculated and saved in the particle's LATCH variable. The DOSXYZnrc code was modified to accumulate the energy deposited by each particle based on its beamlet index. Furthermore, the central axis of each beamlet was calculated from the orientation of all the particles in this beamlet. A cylinder was then defined around the central axis so that only the energy deposited within the cylinder was counted. A look-up table was established for each cylinder during the tallying process. The efficiency and accuracy of the cylindrical beamlet energy deposition approach was evaluated using a treatment plan developed on a simulated lung phantom. Results: Profile and percentage depth doses computed in a water phantom for an open, square field size were within 1.5% of measurements. Dose optimized with the cylindrical dose kernel was found to be within 0.6% of that computed with the nontruncated 3D kernel. The cylindrical truncation reduced optimization time by approximately 80%. Conclusions: A method for generating a phase-space-based dose kernel, using a truncated cylinder for scoring dose, in beamlet-based optimization of lung treatment planning was developed and found to be in good agreement with the standard, nontruncated scoring approach. Compared to previous techniques, our method significantly reduces computational time and memory requirements, which may be useful for Monte-Carlo-based 4D IMRT or IMAT treatment planning.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Gleipnir: toward practical error analysis for Quantum programs

Practical error analysis is essential for the design, optimization, and evaluation of Noisy Intermediate-Scale Quantum(NISQ) computing. However, bounding errors in quantum programs is a grand challenge, because the effects of quantum errors depend on exponentially large quantum states. In this work, we present Gleipnir, a novel methodology toward practically computing verified error bounds in quantum programs. Gleipnir introduces the (ρ,δ)-diamond norm, an error metric constrained by a quantum predicate consisting of the approximate state ρ and its distance δ to the ideal state ρ. This predicate (ρ,δ) can be computed adaptively using tensor networks based on the Matrix Product States. Gleipnir features a lightweight logic for reasoning about error bounds in noisy quantum programs, based on the (ρ,δ)-diamond norm metric. Furthermore, our experimental results show that Gleipnir is able to efficiently generate tight error bounds for real-world quantum programs with 10 to 100 qubits, and can be used to evaluate the error mitigation performance of quantum compiler transformations.

Tao, Runzhou↗
DOE OSTI2017

Gluon orbital angular momentum at small x

We present a general analysis of the orbital angular momentum (OAM) distribution of gluons L g (x) inside the nucleon with particular emphasis on the small- x region. We derive a novel operator representation of L g (x) in terms of Wilson lines and argue that it is approximately proportional to the gluon helicity distribution L g (x) ≈ - 2 Δ G (x) at small x . Here, we also compute longitudinal single-spin asymmetry in exclusive diffractive dijet production in lepton-nucleon scattering in the next-to-eikonal approximation and show that the asymmetry is a direct probe of the gluon helicity/OAM distribution as well as the QCD odderon exchange.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Modeling of particle transport, neutrals and radiation in magnetically-confined plasmas with Aurora

In this work, we present Aurora, an open-source package for particle transport, neutrals and radiation modeling in magnetic confinement fusion plasmas. Aurora's modern multi-language interface enables simulations of 1.5D impurity transport within high-performance computing frameworks, particularly for the inference of particle transport coefficients. A user-friendly Python library allows simple interaction with atomic rates from the Atomic Data and Atomic Structure database as well as other sources. This enables a range of radiation predictions, both for power balance and spectroscopic analysis. We discuss here the superstaging approximation for complex ions, as a way to group charge states and reduce computational cost, demonstrating its wide applicability within the Aurora forward model and beyond. Aurora also facilitates neutral particle analysis, both from experimental spectroscopic data and other simulation codes. Leveraging Aurora's capabilities to interface SOLPS-ITER results, we demonstrate that charge exchange is unlikely to affect the total radiated power from the ITER core during high performance operation. Finally, we describe the ImpRad module in the one modeling framework for integrated task framework, developed to enable experimental analysis and transport inferences on multiple devices using Aurora.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Final Report. Analysis and Reduction of Complex Networks Under Uncertainty

The project was a collaborative effort among MIT, Sandia National Laboratories (local PI Dr. Habib Najm), the University of Southern California (local PI Prof. Roger Ghanem), and The Johns Hopkins University (local PI Prof. Omar Knio, now at Duke University). Our focus was the analysis and reduction of large-scale dynamical systems emerging from networks of interacting components. Such networks underlie myriad natural and engineered systems. Examples important to DOE include chemical models of energy conversion processes, and elements of national infrastructure—e.g., electric power grids. Time scales in chemical systems span orders of magnitude, while infrastructure networks feature both local and long-distance connectivity, with associated clusters of time scales. These systems also blend continuous and discrete behavior; examples include saturation phenomena in surface chemistry and catalysis, and switching in electrical networks. Reducing size and stiffness is essential to tractable and predictive simulation of these systems. Computational singular perturbation (CSP) has been effectively used to identify and decouple dynamics at disparate time scales in chemical systems, allowing reduction of model complexity and stiffness. In realistic settings, however, model reduction must contend with uncertainties, which are often greatest in large-scale systems most in need of reduction. Uncertainty is not limited to parameters; one must also address structural uncertainties—e.g., whether a link is present in a network—and the impact of random perturbations, e.g., fluctuating loads or sources. Research under this project developed new methods for the analysis and reduction of complex multiscale networks under uncertainty, by combining computational singular perturbation (CSP) with probabilistic uncertainty quantification. CSP yields asymptotic approximations of reduceddimensionality “slow manifolds” on which a multiscale dynamical system evolves. Introducing uncertainty in this context raised fundamentally new issues, e.g., how is the topology of slow manifolds transformed by parametric uncertainty? How to construct dynamical models on these uncertain manifolds? To address these questions, we used stochastic spectral polynomial chaos (PC) methods to reformulate uncertain network models and analyzed them using CSP in probabilistic terms. Finding uncertain manifolds involved the solution of stochastic eigenvalue problems, facilitated by projection onto PC bases. These problems motivated us to explore the spectral properties stochastic Galerkin systems. We also introduced novel methods for rank-reduction in stochastic eigensystems—transformations of a uncertain dynamical system that lead to lower storage and solution complexity. These technical accomplishments are detailed below. This report focuses on the MIT portion of the joint project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Removing instabilities in the hierarchical equations of motion: Exact and approximate projection approaches

The hierarchical equations of motion (HEOM) provide a numerically exact approach for computing the reduced dynamics of a quantum system linearly coupled to a bath. We have found that HEOM contains temperature-dependent instabilities that grow exponentially in time. In the case of continuous-bath models, these instabilities may be delayed to later times by increasing the hierarchy dimension; however, for systems coupled to discrete, nondispersive modes, increasing the hierarchy dimension does little to alleviate the problem. We show that these instabilities can also be removed completely at a potentially much lower cost via projection onto the space of stable eigenmodes; furthermore, we find that for discrete-bath models at zero temperature, the remaining projected dynamics computed with few hierarchy levels are essentially identical to the exact dynamics that otherwise might require an intractably large number of hierarchy levels for convergence. Recognizing that computation of the eigenmodes might be prohibitive, e.g., for large or strongly coupled models, we present a Prony filtration algorithm that may be useful as an alternative for accomplishing this projection when diagonalization is too costly. We present results demonstrating the efficacy of HEOM projected via diagonalization and Prony filtration. Finally, we discuss issues associated with the non-normality of HEOM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Computation of the Biot–Savart line integral with higher-order convergence using straight segments

One common approach to computing the magnetic field produced by a filamentary current-carrying coil is to approximate the coil as a series of straight segments. The Biot–Savart field from each straight segment is analytically known. However, if the endpoints of the straight segments are chosen to lie on the coil, then the accuracy of the Biot–Savart computation is generally only the second order in the number of endpoints. In this work, we propose a simple modification: shift each end point of the coil in the outward normal direction by an amount proportional to the local curvature. With this modification, the Biot–Savart accuracy increases to the fourth order and the numerical error is dramatically reduced for a given number of discretization points.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Thermal effects and sudden decay approximation in the curvaton scenario

We study the impact of a temperature-dependent curvaton decay rate on the primordial curvature perturbation generated in the curvaton scenario. Using the familiar sudden decay approximation, we obtain an analytical expression for the curvature perturbation after the decay of the curvaton. We then investigate numerically the evolution of the background and of the perturbations during the decay. We first show that the instantaneous transfer coefficient, related to the curvaton energy fraction at the decay, can be extended into a more general parameter, which depends on the net transfer of the curvaton energy into radiation energy or, equivalently, on the total entropy ratio after the complete curvaton decay. We then compute the curvature perturbation and compare this result with the sudden decay approximation prediction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A Method for Dimensionally Adaptive Sparse Trigonometric Interpolation of Periodic Functions

We present a method for dimensionally adaptive sparse trigonometric interpolation of multidimensional periodic functions belonging to a smoothness class of finite order. This method targets applications where periodicity must be preserved and the precise anisotropy is not known a priori. To the authors' knowledge, this is the first instance of a dimensionally adaptive sparse interpolation algorithm that uses a trigonometric interpolation basis. The motivating application behind this work is the adaptive approximation of a multi-input model for a molecular potential energy surface (PES) where each input represents an angle of rotation. Our method is based on an anisotropic quasi-optimal estimate for the decay rate of the Fourier coefficients of the model; a least-squares fit to the coefficients of the interpolant is used to estimate the anisotropy. Thus, our adaptive approximation strategy begins with a coarse isotropic interpolant, which is gradually refined using the estimated anisotropic rates. The procedure takes several iterations where ever-more accurate interpolants are used to generate ever-improving anisotropy rates. We present several numerical examples of our algorithm where the adaptive procedure successfully recovers the theoretical “best” convergence rate, including an application to a periodic PES approximation. An open-source implementation of our algorithm resides in the Tasmanian UQ library developed at Oak Ridge National Laboratory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Checkpoint-Restart and Platform Design Criteria

Long computations often use checkpoint/restart to survive the inevitable failures. Optimal checkpoint/restart strategy can be derived in terms of special functions, and approximated within the regime of interest. As a further step under nominal assumptions, platforms can be optimized for maximum progress rate, computed in terms of non-dimensional parameter JMTTI/Delta, where JMTTI is the Job Mean Time To Interrupt and Delta is the time it takes to write (or read) a checkpoint. Scaling to a larger platform of the same technology requires scaling checkpoint bandwidth quadratically to maintain the same progress rate. This was observed during the design of LANL’s Roadrunner in 2007, led to burst buffers proposed in 2009 and introduced on Trinity in 2015. The need to compute reliably continues to impact the design of future exascale platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

A GENERALIZED STOCHASTIC COLLOCATION APPROACH TO CONSTRAINED OPTIMIZATION FOR RANDOM DATA IDENTIFICATION PROBLEMS

We present a scalable, parallel mechanism for stochastic identification/control for problems constrained by partial differential equations with random input data. Several identification objectives will be discussed that either minimize the expectation of a tracking cost functional or minimize the difference of desired statistical quantities in the appropriate $L^p$ norm, and the distributed parameters/control can both deterministic or stochastic. Given an objective we prove the existence of an optimal solution, establish the validity of the Lagrange multiplier rule and obtain a stochastic optimality system of equations. The modeling process may describe the solution in terms of high dimensional spaces, particularly in the case when the input data (coefficients, forcing terms, boundary conditions, geometry, etc) are affected by a large amount of uncertainty. For higher accuracy, the computer simulation must increase the number of random variables (dimensions), and expend more effort approximating the quantity of interest in each individual dimension. Hence, we introduce a novel stochastic parameter identification algorithm that integrates an adjoint-based deterministic algorithm with the sparse grid stochastic collocation FEM approach. This allows for decoupled, moderately high dimensional, parameterized computations of the stochastic optimality system, where at each collocation point, deterministic analysis and techniques can be utilized. The advantage of our approach is that it allows for the optimal identification of statistical moments (mean value, variance, covariance, etc.) or even the whole probability distribution of the input random fields, given the probability distribution of some responses of the system (quantities of physical interest). Our rigorously derived error estimates, for the fully discrete problems, will be described and used to compare the efficiency of the method with several other techniques. Numerical examples illustrate the theoretical results and demonstrate the distinctions between the various stochastic identification objectives.

Webster, Clayton G↗
DOE OSTI2014

A fast non-Fourier method for Landau-fluid operators

An efficient and versatile non-Fourier method for the computation of Landau-fluid (LF) closure operators [Hammett and Perkins, Phys. Rev. Lett. 64, 3019 (1990)] is presented, based on an approximation by a sum of modified-Helmholtz-equation solves (SMHS) in configuration space. This method can yield fast-Fourier-like scaling of the computational time requirements and also provides a very compact data representation of these operators, even for plasmas with large spatial nonuniformity. As a result, the method can give significant savings compared with direct application of “delocalization kernels” [e.g., Schurtz et al., Phys. Plasmas 7, 4238 (2000)], both in terms of computational cost and memory requirements. The method is of interest for the implementation of Landau-fluid models in situations where the spatial nonuniformity, particular geometry, or boundary conditions render a Fourier implementation difficult or impossible. Systematic procedures have been developed to optimize the resulting operators for accuracy and computational cost. The four-moment Landau-fluid model of Hammett and Perkins has been implemented in the BOUT++ code using the SMHS method for LF closure. Excellent agreement has been obtained for the one-dimensional plasma density response function between driven initial-value calculations using this BOUT++ implementation and matrix eigenvalue calculations using both Fourier and SMHS non-Fourier implementations of the LF closures. The SMHS method also forms the basis for the implementation, which has been carried out in the BOUT++ code, of the parallel and toroidal drift-resonance LF closures. The method is a key enabling tool for the extension of gyro-Landau-fluid models [e.g., Beer and Hammett, Phys. Plasmas 3, 4046 (1996)] to codes that treat regions with strong profile variation, such as the tokamak edge and scrapeoff-layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A comparison of two- and three-dimensional neutrino-hydrodynamics simulations of core-collapse supernovae

We present numerical results on two- (2D) and three-dimensional (3D) hydrodynamic core-collapse simulations of an 11.2 M {sub ☉} star. By changing numerical resolutions and seed perturbations systematically, we study how the postbounce dynamics are different in 2D and 3D. The calculations were performed with an energy-dependent treatment of the neutrino transport based on the isotropic diffusion source approximation scheme, which we have updated to achieve a very high computational efficiency. All of the computed models in this work, including nine 3D models and fifteen 2D models, exhibit the revival of the stalled bounce shock, leading to the possibility of explosion. All of them are driven by the neutrino-heating mechanism, which is fostered by neutrino-driven convection and the standing-accretion-shock instability. Reflecting the stochastic nature of multi-dimensional (multi-D) neutrino-driven explosions, the blast morphology changes from model to model. However, we find that the final fate of the multi-D models, whether an explosion is obtained or not, is little affected by the explosion stochasticity. In agreement with some previous studies, higher numerical resolutions lead to slower onset of the shock revival in both 2D and 3D. Based on the self-consistent supernova models leading to the possibility of explosions, our results systematically show that the revived shock expands more energetically in 2D than in 3D.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Distributed approximate minimal Steiner trees with millions of seed vertices on billion-edge graphs

In this report, we present a parallel 2-approximation Steiner minimal tree algorithm and its MPI-based distributed implementation. In place of expensive distance computations between all pairs of seed vertices, the solution we employ exploits a cheaper Voronoi cell computation. Our design leverages asynchronous processing and message prioritization to accelerate convergence of distance computations, and harnesses vertex and edge centric processing to offer fast time-to-solution. We demonstrate scalability and performance using real-world graphs with up to 128 billion edges and 512 compute nodes, and show the ability to find Steiner trees with up to one million seed vertices. Using 12 data instances, we present comparison with the state-of-the-art exact solver, SCIP-Jack, and two sequential 2-approximate algorithms. We empirically show that, on average, the total distance of the Steiner tree identified by our solution is 1.1290 times greater than the Steiner minimal tree – well within the theoretical approximation bound of 2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Milestone Completion Report WBS 1.3.5.05 ECP/VTK-m FY17Q4 [MS-17/03-06] Key Reduce / Spatial Division / Basic Advect / Normals STDA05-4.

The FY17Q4 milestone of the ECP/VTK-m project includes the completion of a key-reduce scheduling mechanism, a spatial division algorithm, an algorithm for basic particle advection, and the computation of smoothed surface normals. With the completion of this milestone, we are able to, respectively, more easily group like elements (a common visualization algorithm operation), provide the fundamentals for geometric search structures, provide the fundamentals for many flow visualization algorithms, and provide more realistic rendering of surfaces approximated with facets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities

Here, we present a framework for calibration of parameters in elastoplastic constitutive models that is based on the use of automatic differentiation (AD). The model calibration problem is posed as a partial differential equation-constrained optimization problem where a finite element (FE) model of the coupled equilibrium equation and constitutive model evolution equations serves as the constraint. The objective function quantifies the mismatch between the displacement predicted by the FE model and full-field digital image correlation data, and the optimization problem is solved using gradient-based optimization algorithms. Forward and adjoint sensitivities are used to compute the gradient at considerably less cost than its calculation from finite difference approximations. Through the use of AD, we need only to write the constraints in terms of AD objects, where all of the derivatives required for the forward and inverse problems are obtained by appropriately seeding and evaluating these quantities. We present three numerical examples that verify the correctness of the gradient, demonstrate the AD approach's parallel computation capabilities via application to a large-scale FE model, and highlight the formulation's ease of extensibility to other classes of constitutive models.

42 ENGINEERING↗
DOE OSTI2021

Toward quantum Monte Carlo forces on heavier ions: Scaling properties

Quantum Monte Carlo (QMC) forces have been studied extensively in recent decades because of their importance with spectroscopic observables and geometry optimization. Here, we benchmark the accuracy and computational cost of QMC forces. The zero-variance zero-bias (ZVZB) force estimator is used in standard variational and diffusion Monte Carlo simulations with mean-field based trial wavefunctions and atomic pseudopotentials. Statistical force uncertainties are obtained with a recently developed regression technique for heavy tailed QMC data [P. Lopez Rios and G. J. Conduit, Phys. Rev. E 99, 063312 (2019)]. By considering selected atoms and dimers with elements ranging from H to Zn (1 ≤ Z eff ≤ 20), we assess the accuracy and the computational cost of ZVZB forces as the effective pseudopotential valence charge, Z eff , increases. We find that the costs of QMC energies and forces approximately follow simple power laws in Zeff. The force uncertainty grows more rapidly, leading to a best case cost scaling relationship of approximately Z e ff 6.5 ( 3 ) for diffusion Monte Carlo. We find that the accessible system size at fixed computational cost scales as Z e ff − 2 , insensitive to model assumptions or the use of the “space warp” variance-reduction technique. Our results predict the practical cost of obtaining forces for a range of materials, such as transition metal oxides where QMC forces have yet to be applied, and underscore the importance of further developing force variance-reduction techniques, particularly for atoms with high Z eff .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Modeling State Transition and Head-Dependent Efficiency Curve for Pumped Storage Hydro in Look-Ahead Dispatch

As one of the most widely installed utility-scale storage facilities, pumped storage hydro (PSH) plays an essential role in providing flexibility for power systems worldwide. Thus, to accurately quantify the flexibility of PSH units in operational optimization problems is important. The conventional PSH models in the literature rarely consider detailed state transitions due to their hourly-based settings. However, it becomes imperative for operational optimization on short-term intervals, especially with increasing shares of renewable energy in power systems. To this end, this paper presents a novel deterministic PSH model that considers the transition time and trajectory between three states of PSH units in look-ahead dispatch. Moreover, to better characterize the varying efficiency of PSH units with water head and flow rate, this paper proposes to model detailed headdependent efficiency curves (hereafter called input-output curves) in look-ahead dispatch, which encounters heavy computational burdens when short time intervals are applied. In this work, a zig-zag piece-wise linear approximation method is used for input-output curve modeling. This can enable an accurate quantification for variable efficiency and head dependence in a computationally effective manner. Here, numerical results are presented to show performances of the proposed PSH model in both flexibility quantification and computation time.

13 HYDRO ENERGY↗