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DOE OSTI2024

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

2020 IEEE PES Innovative Smart Grid Technologies Europe (ISGT-Europe)

Recent proliferation of distributed energy sources in distribution or sub-transmission systems necessitates close monitoring of these three-phase power grids which typically operate under unbalanced loading conditions. Unlike the transmission systems where the network equations are commonly based on the positive sequence component models, a detailed three phase model will have to be used in implementing network applications for these systems. In the specific case of the state estimator, where measurement and parameter errors may bias the solution, bad data and parameter error detection algorithms should also be incorporated. Implementing the state estimator and error detection algorithms for three-phase systems impose additional computational burden and modifications to the state estimation code. This paper proposes a practical solution to avoid these issues by using synchronized phasor measurements and modal decoupling. The previously developed parameter error detection algorithm based on the normalized Lagrange multipliers (NLM) test is applied to the measurements independently in each mode in parallel, not only saving CPU time but also avoiding new code development for a three-phase estimator. Different parameter error scenarios are created and tested to verify the effectiveness of the proposed error detection approach.

Khalili, Ramtin↗

NASA NTRS1980

Application of finite-element-techniques to the interaction of conduction and radiation in an absorbing, scattering and emitting medium

In this paper, the authors demonstrate that a Galerkin finite element method of analysis, utilizing isoparametric elements, offers a viable means of solving continuum thermal radiation problems with conduction in a participating medium. The participating medium was considered to be a gray radiation medium exhibiting isotropic absorption, emission, and scattering characteristics and optical properties that are independent of temperature. The medium was considered to be bounded by infinite parallel opaque, gray surfaces with diffuse emission and reflection characteristics. In solving this problem, a finite element formulation was developed to describe a system in radiative equilibrium. Then the results of this first analysis were linked with a second finite element model which incorporated conduction into the analysis. The results of this study were found to be in good agreement with existing published data. The model offers the following advantageous features: geometric generality, a computational algorithm which is 'convenient' and 'computable', and a functional basis for extension of the radiation model to higher order approximation.

Wu, S. T.↗

DOE OSTI2020

Locality-Aware Scheduling for Scalable Heterogeneous Environments

Heterogeneous computing promise boost performance of scientific applications by allowing massively parallel execution of computational tasks. However, manually managing extremely heterogeneous, multi-device systems is complicated and may result in sub-optimal performance. Specifically, data management is an extremely challenging problem on multi-device systems. In this work, we introduce two locality-aware schedulers for the Minos Computing Library (MCL), an asynchronous, task-based programming model and runtime for extremely heterogeneous systems. The first scheduler implements a pure locality-aware algorithm to maximize data reuse, though it might incur in ”hot-spots” that limit system utilization. The second scheduler mitigates this drawback by dynamically targeting between locality-awareness and system utilization based on the current workload and available computing devices. Our results show that locality-awareness greatly benefit applications that exhibit data reuse, providing up to 6.9x and 7.9x over the original MCL scheduler and equivalent OpenCL implementations, respectively. Moreover, our schedulers introduce negligible overhead compared with the original MCL scheduler and achieve similar performance for applications that don’t benefit from data locality.

Architecture, co-design, Task-based programming mo↗

DOE OSTI2025

Data-Driven Compositional Optimization in Misspecified Regimes

With a manifold growth in the scale and intricacy of systems, the challenges of parametric misspecification become pronounced. These concerns are further exacerbated in compositional settings, which emerge in problems complicated by modeling risk and robustness. In “Data-Driven Compositional Optimization in Misspecified Regimes,” the authors consider the resolution of compositional stochastic optimization problems, plagued by parametric misspecification. In considering settings where such misspecification may be resolved via a parallel learning process, the authors develop schemes that can contend with diverse forms of risk, dynamics, and nonconvexity. They provide asymptotic and rate guarantees for unaccelerated and accelerated schemes for convex, strongly convex, and nonconvex problems in a two-level regime with extensions to the multilevel setting. Surprisingly, the nonasymptotic rate guarantees show no degradation from the rate statements obtained in a correctly specified regime and the schemes achieve optimal (or near-optimal) sample complexities for general T-level strongly convex and nonconvex compositional problems.

Business & Economics↗

NASA NTRS1982

AgRISTARS. Supporting research: Algorithms for scene modelling

The requirements for a comprehensive analysis of LANDSAT or other visual data scenes are defined. The development of a general model of a scene and a computer algorithm for finding the particular model for a given scene is discussed. The modelling system includes a boundary analysis subsystem, which detects all the boundaries and lines in the image and builds a boundary graph; a continuous variation analysis subsystem, which finds gradual variations not well approximated by a boundary structure; and a miscellaneous features analysis, which includes texture, line parallelism, etc. The noise reduction capabilities of this method and its use in image rectification and registration are discussed.

Rassbach, M. E.↗

NASA NTRS2003

TOMS and SBUV Data: Comparison to 3D Chemical-Transport Model Results

We have updated our merged ozone data (MOD) set using the TOMS data from the new version 8 algorithm. We then analyzed these data for contributions from solar cycle, volcanoes, QBO, and halogens using a standard statistical time series model. We have recently completed a hindcast run of our 3D chemical-transport model for the same years. This model uses off-line winds from the finite-volume GCM, a full stratospheric photochemistry package, and time-varying forcing due to halogens, solar uv, and volcanic aerosols. We will report on a parallel analysis of these model results using the same statistical time series technique as used for the MOD data.

Stolarski, Richard S.↗

DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

Parallel asynchronous hardware implementation of image processing algorithms

Research is being carried out on hardware for a new approach to focal plane processing. The hardware involves silicon injection mode devices. These devices provide a natural basis for parallel asynchronous focal plane image preprocessing. The simplicity and novel properties of the devices would permit an independent analog processing channel to be dedicated to every pixel. A laminar architecture built from arrays of the devices would form a two-dimensional (2-D) array processor with a 2-D array of inputs located directly behind a focal plane detector array. A 2-D image data stream would propagate in neuron-like asynchronous pulse-coded form through the laminar processor. No multiplexing, digitization, or serial processing would occur in the preprocessing state. High performance is expected, based on pulse coding of input currents down to one picoampere with noise referred to input of about 10 femtoamperes. Linear pulse coding has been observed for input currents ranging up to seven orders of magnitude. Low power requirements suggest utility in space and in conjunction with very large arrays. Very low dark current and multispectral capability are possible because of hardware compatibility with the cryogenic environment of high performance detector arrays. The aforementioned hardware development effort is aimed at systems which would integrate image acquisition and image processing.

Coon, Darryl D.↗

NASA NTRS2014

Cloud Thermodynamic Phase Detection with Polarimetrically Sensitive Passive Sky Radiometers

The primary goal of this project has been to investigate if ground-based visible and near-infrared passive radiometers that have polarization sensitivity can determine the thermodynamic phase of overlying clouds, i.e. if they are comprised of liquid droplets or ice particles. While this knowledge is important by itself for our understanding of the global climate, it can also help improve cloud property retrieval algorithms that use total (unpolarized) radiance to determine Cloud Optical Depth (COD). This is a potentially unexploited capability of some instruments in the NASA Aerosol Robotic Network (AERONET), which, if practical, could expand the products of that global instrument network at minimal additional cost. We performed simulations that found, for zenith observations, cloud thermodynamic phase is often expressed in the sign of the Q component of the Stokes polarization vector. We chose our reference frame as the plane containing solar and observation vectors, so the sign of Q indicates the polarization direction, parallel (negative) or perpendicular (positive) to that plane. Since the quantity of polarization is inversely proportional to COD, optically thin clouds are most likely to create a signal greater than instrument noise. Besides COD and instrument accuracy, other important factors for the determination of cloud thermodynamic phase are the solar and observation geometry (scattering angles between 40 and 60 degrees are best), and the properties of ice particles (pristine particles may have halos or other features that make them difficult to distinguish from water droplets at specific scattering angles, while extreme ice crystal aspect ratios polarize more than compact particles). We tested the conclusions of our simulations using data from polarimetrically sensitive versions of the Cimel 318 sun photometerradiometer that comprise AERONET. Most algorithms that exploit Cimel polarized observations use the Degree of Linear Polarization (DoLP), not the individual Stokes vector elements (such as Q). For this reason, we had no information about the accuracy of Cimel observed Q and the potential for cloud phase determination. Indeed, comparisons to ceilometer observations with a single polarized spectral channel version of the Cimel at a site in the Netherlands showed little correlation. Comparisons to Lidar observations with a more recently developed, multi-wavelength polarized Cimel in Maryland, USA, show more promise. This divergence between simulations and observations has prompted us to begin the development of a small test instrument called the Sky Polarization Radiometric Instrument for Test and Evaluation (SPRITE). This instrument is specifically devoted to the accurate observation of Q, and the testing of calibration and uncertainty assessment techniques, with the ultimate goal of understanding the practical feasibility of these measurements.

Knobelspiesse, Kirk D.↗

DOE OSTI2021

Optimizing Error-Bounded Lossy Compression for Scientific Data on GPUs

Error-bounded lossy compression is a critical technique for significantly reducing scientific data volumes. With ever-emerging heterogeneous high-performance computing (HPC) architecture, GPU-accelerated error-bounded compressors (such as CUSZ and cuZFP) have been developed. However, they suffer from either low performance or low compression ratios. To this end, we propose CUSZ+ to target both high compression ratios and throughputs. We identify that data sparsity and data smoothness are key factors for high compression throughputs. Our key contributions in this work are fourfold: (1) We propose an efficient compression workflow to adaptively perform run-length encoding and/or variable-length encoding. (2) We derive Lorenzo reconstruction in decompression as multidimensional partial-sum computation and propose a fine-grained Lorenzo reconstruction algorithm for GPU architectures. (3) We carefully optimize each of CUSZ kernels by leveraging state-of-the-art CUDA parallel primitives. (4) We evaluate CUSZ+ using seven real-world HPC application datasets on V100 and A100 GPUs. Experiments show CUSZ+ improves the compression throughputs and ratios by up to 18.4x and 5.3x, respectively, over CUSZ on the tested datasets.

Tian, Jiannan↗

DOE OSTI2022

An Algorithmic and Software Pipeline for Very Large Scale Scientific Data Compression with Error Guarantees

Efficient data compression is becoming increasingly critical for storing scientific data because many scientific applications produce vast amounts of data. This paper presents an end-to-end algorithmic and software pipeline for data compression that guarantees both error bounds on primary data (PD) and derived data, known as Quantities of Interest (QoI).We demonstrate the effectiveness of the pipeline by compressing fusion data generated by a large-scale fusion code, XGC, which produces tens of petabytes of data in a single day. We demonstrate that the compression is conducted by setting aside computational resources known as staging nodes, and does not impact the simulation performance. For efficient parallel I/O, the pipeline uses ADIOS2, which many codes such as XGC already use for their parallel I/O. We show that our approach can compress the data by two orders of magnitude while guaranteeing high accuracy on both the PD and the QoIs. Further, the amount of resources required by compression is a few percent of the resources required by simulation while ensuring that the compression time for each stage is less than the corresponding simulation time.This pipeline consists of three main steps. The first step decomposes the data using domain decomposition into small subdomains. Each subdomain is then compressed independently to achieve a high level of parallelism. The second step uses existing techniques that guarantee error bounds on the primary data for each subdomain. The third step uses a post-processing optimization technique based on Lagrange multipliers to reduce the QoI errors for data corresponding to each subdomain. The Lagrange multipliers generated can be further quantized or truncated to increase the compression level. All of the above characteristics of our approach make it highly practical to apply on-the-fly compression while guaranteeing errors on QoIs that are critical to the scientists.

Banerjee, Tania↗

NASA NTRS2000

A Comparison of Three Programming Models for Adaptive Applications

We study the performance and programming effort for two major classes of adaptive applications under three leading parallel programming models. We find that all three models can achieve scalable performance on the state-of-the-art multiprocessor machines. The basic parallel algorithms needed for different programming models to deliver their best performance are similar, but the implementations differ greatly, far beyond the fact of using explicit messages versus implicit loads/stores. Compared with MPI and SHMEM, CC-SAS (cache-coherent shared address space) provides substantial ease of programming at the conceptual and program orchestration level, which often leads to the performance gain. However it may also suffer from the poor spatial locality of physically distributed shared data on large number of processors. Our CC-SAS implementation of the PARMETIS partitioner itself runs faster than in the other two programming models, and generates more balanced result for our application.

Shan, Hong-Zhang↗

NASA NTRS2011

Coding for Parallel Links to Maximize the Expected Value of Decodable Messages

When multiple parallel communication links are available, it is useful to consider link-utilization strategies that provide tradeoffs between reliability and throughput. Interesting cases arise when there are three or more available links. Under the model considered, the links have known probabilities of being in working order, and each link has a known capacity. The sender has a number of messages to send to the receiver. Each message has a size and a value (i.e., a worth or priority). Messages may be divided into pieces arbitrarily, and the value of each piece is proportional to its size. The goal is to choose combinations of messages to send on the links so that the expected value of the messages decodable by the receiver is maximized. There are three parts to the innovation: (1) Applying coding to parallel links under the model; (2) Linear programming formulation for finding the optimal combinations of messages to send on the links; and (3) Algorithms for assisting in finding feasible combinations of messages, as support for the linear programming formulation. There are similarities between this innovation and methods developed in the field of network coding. However, network coding has generally been concerned with either maximizing throughput in a fixed network, or robust communication of a fixed volume of data. In contrast, under this model, the throughput is expected to vary depending on the state of the network. Examples of error-correcting codes that are useful under this model but which are not needed under previous models have been found. This model can represent either a one-shot communication attempt, or a stream of communications. Under the one-shot model, message sizes and link capacities are quantities of information (e.g., measured in bits), while under the communications stream model, message sizes and link capacities are information rates (e.g., measured in bits/second). This work has the potential to increase the value of data returned from spacecraft under certain conditions.

Klimesh, Matthew A.↗

DOE OSTI2019

Scalable Bayesian Nonparametric Clustering and Classification

We develop a scalable multi-step Monte Carlo algorithm for inference under a large class of nonparametric Bayesian models for clustering and classification. Each step is “embarrassingly parallel” and can be implemented using the same Markov chain Monte Carlo sampler. The simplicity and generality of our approach makes inference for a wide range of Bayesian nonparametric mixture models applicable to large datasets. Specifically, we apply the approach to inference under a product partition model with regression on covariates. We show results for inference with two motivating data sets: a large set of electronic health records (EHR) and a bank telemarketing dataset. We find interesting clusters and competitive classification performance relative to other widely used competing classifiers. Supplementary materials for this article are available online.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Prediction of DIII-D Pedestal Structure from Externally Controllable Parameters

The sharp increase of pressure at the edge of a high confinement mode (H-mode) plasma, the pedestal, strongly impacts overall plasma performance. Predicting the pedestal is a necessity to control and optimize tokamak operations. An experimental data-driven machine learning (ML) approach is presented that predicts the pedestal heights and widths of electron density (ne) and electron temperature (Te) profiles as well as the separatrix ne from externally controllable parameters such as the plasma shape, heating method and power, and gas puff rate and integrated gas puff. The OMFIT framework was used with DIII-D data to efficiently, robustly, and automatically build a database of pedestal parameters to train machine learning models. Database creation was enabled by the search engine tool for DIII-D data, TokSearch, which parallelizes data fetching, enabling fast searches through basic signals of thousands of DIII-D shots and selection of relevant time intervals. Principal Component Analysis (PCA) separated the database into three clusters that represent classes of plasma shapes that are regularly used in DIII-D. The most important parameters for setting the pedestal structure were plasma current (Ip), toroidal magnetic field (Bφ), neutral beam heating power (PNBI) and shaping quantities. The Deep Jointly Informed Neural Networks (DJINN) algorithm was applied to identify suitable neural network (NN) architectures that appropriately capture the features of the pedestal database. Separate NNs were implemented for each pedestal parameter, and ensembling methods were used to improve the prediction accuracy and allowed estimation of the prediction uncertainty. The pedestal predictions of the test dataset lie within the measurement uncertainties of the pedestal parameters. The NN outperformed simple Linear Regression (LR) analysis, indicating non-linear dependencies in the pedestal structure. The presented achievements illustrate a promising path for future research, using feature extraction to infer experimental trends and thereby improve pedestal models as well as deploying NN for a fast pedestal prediction in DIII-D scenario development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1976

Modeling of three-dimensional mixing and reacting ducted flows

A computer code, based upon a finite element solution algorithm, was developed to solve the governing equations for three-dimensional, reacting boundary region, and constant area ducted flow fields. Effective diffusion coefficients are employed to allow analyses of turbulent, transitional or laminar flows. The code was used to investigate mixing and reacting hydrogen jets injected from multiple orifices, transverse and parallel to a supersonic air stream. Computational results provide a three-dimensional description of velocity, temperature, and species-concentration fields downstream of injection. Experimental data for eight cases covering different injection conditions and geometries were modeled using mixing length theory (MLT). These results were used as a baseline for examining the relative merits of other mixing models. Calculations were made using a two-equation turbulence model (k+d) and comparisons were made between experiment and mixing length theory predictions. The k+d model shows only a slight improvement in predictive capability over MLT. Results of an examination of the effect of tensorial transport coefficients on mass and momentum field distribution are also presented. Solutions demonstrating the ability of the code to model ducted flows and parallel strut injection are presented and discussed.

Zelazny, S. W.↗

NASA NTRS1987

Knowledge-based vision for space station object motion detection, recognition, and tracking

Computer vision, especially color image analysis and understanding, has much to offer in the area of the automation of Space Station tasks such as construction, satellite servicing, rendezvous and proximity operations, inspection, experiment monitoring, data management and training. Knowledge-based techniques improve the performance of vision algorithms for unstructured environments because of their ability to deal with imprecise a priori information or inaccurately estimated feature data and still produce useful results. Conventional techniques using statistical and purely model-based approaches lack flexibility in dealing with the variabilities anticipated in the unstructured viewing environment of space. Algorithms developed under NASA sponsorship for Space Station applications to demonstrate the value of a hypothesized architecture for a Video Image Processor (VIP) are presented. Approaches to the enhancement of the performance of these algorithms with knowledge-based techniques and the potential for deployment of highly-parallel multi-processor systems for these algorithms are discussed.

Symosek, P.↗