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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

WE-AB-303-09: Rapid Projection Computations for On-Board Digital Tomosynthesis in Radiation Therapy

Purpose: To facilitate fast and accurate iterative volumetric image reconstruction from limited-angle on-board projections. Methods: Intrafraction motion hinders the clinical applicability of modern radiotherapy techniques, such as lung stereotactic body radiation therapy (SBRT). The LIVE system may impact clinical practice by recovering volumetric information via Digital Tomosynthesis (DTS), thus entailing low time and radiation dose for image acquisition during treatment. The DTS is estimated as a deformation of prior CT via iterative registration with on-board images; this shifts the challenge to the computational domain, owing largely to repeated projection computations across iterations. We address this issue by composing efficient digital projection operators from their constituent parts. This allows us to separate the static (projection geometry) and dynamic (volume/image data) parts of projection operations by means of pre-computations, enabling fast on-board processing, while also relaxing constraints on underlying numerical models (e.g. regridding interpolation kernels). Further decoupling the projectors into simpler ones ensures the incurred memory overhead remains low, within the capacity of a single GPU. These operators depend only on the treatment plan and may be reused across iterations and patients. The dynamic processing load is kept to a minimum and maps well to the GPU computational model. Results: We have integrated efficient, pre-computable modules for volumetric ray-casting and FDK-based back-projection with the LIVE processing pipeline. Our results show a 60x acceleration of the DTS computations, compared to the previous version, using a single GPU; presently, reconstruction is attained within a couple of minutes. The present implementation allows for significant flexibility in terms of the numerical and operational projection model; we are investigating the benefit of further optimizations and accurate digital projection sub-kernels. Conclusion: Composable projection operators constitute a versatile research tool which can greatly accelerate iterative registration algorithms and may be conducive to the clinical applicability of LIVE. National Institutes of Health Grant No. R01-CA184173; GPU donation by NVIDIA Corporation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Scalable Data-Intensive Geocomputation: A Design for Real-Time Continental Flood Inundation Mapping

The convergence of data-intensive and extreme-scale computing enables an integrated software and data ecosystem for scientific discovery. Developments in this realm will fuel transformative research in data-driven interdisciplinary domains. Geocomputation provides computing paradigms in Geographic Information Systems (GIS) for interactive computing of geographic data, processes, models, and maps. Because GIS is data-driven, the computational scalability of a geocomputation workflow is directly related to the scale of the GIS data layers, their resolution and extent, as well as the velocity of the geo-located data streams to be processed. Unique in high user interactivity and low end-to-end latency requirements, geocomputation applications will dramatically benefit from the convergence of high-end data analytics (HDA) and high-performance computing (HPC). The application level challenge, however, is to identify and eliminate computational bottlenecks that arise along a geocomputation workflow. Indeed, poor scalability at any of the workflow components is detrimental to the entire end-to-end pipeline. Here, we study a large geocomputation use case in flood inundation mapping that handles multiple national-scale geospatial datasets and targets low end-to-end latency. We discuss benefits and challenges for harnessing both HDA and HPC for data-intensive geospatial data processing and intensive numerical modeling of geographic processes. We propose an HDA+HPC geocomputation architecture design that couples HDA (e.g., Spark)-based spatial data handling and HPC-based parallel data modeling. Key techniques for coupling HDA and HPC to bridge the two different software stacks are reviewed and discussed.

Liu, Yan↗
DOE OSTI2019

FPGA-Accelerated Machine Learning Inference as a Service for Particle Physics Computing

Large-scale particle physics experiments face challenging demands for high-throughput computing resources both now and in the future. New heterogeneous computing paradigms on dedicated hardware with increased parallelization, such as Field Programmable Gate Arrays (FPGAs), offer exciting solutions with large potential gains. The growing applications of machine learning algorithms in particle physics for simulation, reconstruction, and analysis are naturally deployed on such platforms. We demonstrate that the acceleration of machine learning inference as a web service represents a heterogeneous computing solution for particle physics experiments that potentially requires minimal modification to the current computing model. As examples, we retrain the ResNet-50 convolutional neural network to demonstrate state-of-the-art performance for top quark jet tagging at the LHC and apply a ResNet-50 model with transfer learning for neutrino event classification. Using Project Brainwave by Microsoft to accelerate the ResNet-50 image classification model, we achieve average inference times of 60 (10) ms with our experimental physics software framework using Brainwave as a cloud (edge or on-premises) service, representing an improvement by a factor of approximately 30 (175) in model inference latency over traditional CPU inference in current experimental hardware. A single FPGA service accessed by many CPUs achieves a throughput of 600–700 inferences per second using an image batch of one, comparable to large batch-size GPU throughput and significantly better than small batch-size GPU throughput. Deployed as an edge or cloud service for the particle physics computing model, coprocessor accelerators can have a higher duty cycle and are potentially much more cost-effective.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2013

Educational NASA Computational and Scientific Studies (enCOMPASS)

Educational NASA Computational and Scientific Studies (enCOMPASS) is an educational project of NASA Goddard Space Flight Center aimed at bridging the gap between computational objectives and needs of NASA's scientific research, missions, and projects, and academia's latest advances in applied mathematics and computer science. enCOMPASS achieves this goal via bidirectional collaboration and communication between NASA and academia. Using developed NASA Computational Case Studies in university computer science/engineering and applied mathematics classes is a way of addressing NASA's goals of contributing to the Science, Technology, Education, and Math (STEM) National Objective. The enCOMPASS Web site at http://encompass.gsfc.nasa.gov provides additional information. There are currently nine enCOMPASS case studies developed in areas of earth sciences, planetary sciences, and astrophysics. Some of these case studies have been published in AIP and IEEE's Computing in Science and Engineering magazines. A few university professors have used enCOMPASS case studies in their computational classes and contributed their findings to NASA scientists. In these case studies, after introducing the science area, the specific problem, and related NASA missions, students are first asked to solve a known problem using NASA data and past approaches used and often published in a scientific/research paper. Then, after learning about the NASA application and related computational tools and approaches for solving the proposed problem, students are given a harder problem as a challenge for them to research and develop solutions for. This project provides a model for NASA scientists and engineers on one side, and university students, faculty, and researchers in computer science and applied mathematics on the other side, to learn from each other's areas of work, computational needs and solutions, and the latest advances in research and development. This innovation takes NASA science and engineering applications to computer science and applied mathematics university classes, and makes NASA objectives part of the university curricula. There is great potential for growth and return on investment of this program to the point where every major university in the U.S. would use at least one of these case studies in one of their computational courses, and where every NASA scientist and engineer facing a computational challenge (without having resources or expertise to solve it) would use enCOMPASS to formulate the problem as a case study, provide it to a university, and get back their solutions and ideas.

Memarsadeghi, Nargess↗
NASA NTRSDate not supplied

iROSA Computational Model Development and Integration for the International Space Station

The power generation capability of the International Space Station (ISS) is being augmented with the installation of new solar arrays. The new solar arrays, named iROSA (ISS Roll Out Solar Array), are installed in front of original main truss solar arrays and integrate into the existing structure and electrical power system of the ISS. However, iROSA represents significant changes in technology for solar arrays compared to the original solar arrays on the ISS main truss. Knowing the power capabilities of the augmented solar arrays is critical for near-term and long-term mission planning and utilization. This new iROSA installation thus requires updates to be made to the prior-day methods of calculating power generation capability for the ISS. New types of solar cells and array designs, both electrically and structurally, present challenges for concurrent computational modeling of both the original solar arrays and the newer iROSA. This presentation will detail the development and integration of the computational models to calculate the power for the augmented arrays on ISS and the evaluation of the model to ensure that it functions with and without iROSA and returns accurate predictions of power generation in nominal and off-nominal conditions.

International Space Station↗
DOE OSTI2022

Developing an ELM Ecosystem Dynamics Model on GPU with OpenACC

Porting a complex scientific code, such as the E3SM land model (ELM), onto a new computing architecture is challenging. The paper presents design strategies and technical approaches to develop an ELM ecosystem dynamics model with compiler directives (OpenACC) on NVIDIA GPUs. The code has been refactored with advanced OpenACC features (such as deepcopy and routine directives) to reduce memory consumption and to increase the levels of parallelism through parallel loop reconstruction and new data structures. As a result, the optimized parallel implementation achieved more than a 140-time speedup (50 ms vs 7600 ms), compared to a naive implementation that uses OpenACC routine directive and parallelizes the code across existing loops on a single NVIDIA V100. On a fully loaded computing node with 44 CPUs and 6 GPUs, the code achieved over a 3.0-times speedup, compared to the original code on the CPU. Furthermore, the memory footprint of the optimized parallel implementation is 300 MB, which is around 15% of the 2.15 GB of memory consumed by a naive implementation. This study is the first effort to develop the ELM component on GPUs efficiently to support ultra-high-resolution land simulations at continental scales.

Schwartz, Peter↗
DOE OSTI2015

Pulmonary nodule detection in CT images based on shape constraint CV model

Purpose: Accurate detection of pulmonary nodules remains a technical challenge in computer-aided diagnosis systems because some nodules may adhere to the blood vessels or the lung wall, which have low contrast compared to the surrounding tissues. In this paper, the analysis of typical shape features of candidate nodules based on a shape constraint Chan–Vese (CV) model combined with calculation of the number of blood branches adhered to nodule candidates is proposed to reduce false positive (FP) nodules from candidate nodules. Methods: The proposed scheme consists of three major stages: (1) Segmentation of lung parenchyma from computed tomography images. (2) Extraction of candidate nodules. (3) Reduction of FP nodules. A gray level enhancement combined with a spherical shape enhancement filter is introduced to extract the candidate nodules and their sphere-like contour regions. FPs are removed by analysis of the typical shape features of nodule candidates based on the CV model using spherical constraint and by investigating the number of blood branches adhered to the candidate nodules. The constrained shapes of CV model are automatically achieved from the extracted candidate nodules. Results: The detection performance was evaluated on 127 nodules of 103 cases including three types of challenging nodules, which are juxta-pleural nodules, juxta-vascular nodules, and ground glass opacity nodules. The free-receiver operating characteristic (FROC) curve shows that the proposed method is able to detect 88% of all the nodules in the data set with 4 FPs per case. Conclusions: Evaluation shows that the authors’ method is feasible and effective for detection of three types of nodules in this study.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

MULTILEVEL ACCELERATION OF STOCHASTIC COLLOCATION METHODS FOR PDE WITH RANDOM INPUT DATA

Stochastic Collocation (SC) methods for stochastic partial differential equa- tions (SPDEs) suffer from the curse of dimensionality, whereby increases in the stochastic dimension cause an explosion of computational effort. To combat these challenges, multilevel approximation methods seek to decrease computational complexity by balancing spatial and stochastic discretization errors. As a form of variance reduction, multilevel techniques have been successfully applied to Monte Carlo (MC) methods, but may be extended to accelerate other methods for SPDEs in which the stochastic and spatial degrees of freedom are de- coupled. This article presents general convergence and computational complexity analysis of a multilevel method for SPDEs, demonstrating its advantages with regard to standard, single level approximation. The numerical results will highlight conditions under which multilevel sparse grid SC is preferable to the more traditional MC and SC approaches.

Webster, Clayton G↗
NASA NTRS2009

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 vortical flow problems. The first test case concerns vortex flow over a simple 65 delta wing with different values of leading-edge radius. Although the geometry is quite simple, it poses a challenging problem for computing vortices originating from blunt leading edges. 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 wind-tunnel 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 NTRS2003

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 radius. Although the geometry is quite simple, it poses a challenging problem for computing vortices originating from blunt leading edges. 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 wind-tunnel 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 NTRS1994

Numerical simulation of the flow about the F-18 HARV at high angle of attack

This report summarizes research done over the past two years as part of NASA Grant NCC 2-729. This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into two main topics: the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, and the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg.

Murman, Scott M.↗
NASA NTRS1995

Numerical simulation of the flow about the F-18 HARV at high angle of attack

This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full-aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into three main topics; the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg, and research done using the simplified geometry of an ogive-cylinder configuration to investigate the physics of unsteady shear-layer shedding. The last section briefly summarizes the discussion.

Murman, Scott M.↗
DOE OSTI2017

A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Quantum Zeno Monte Carlo for computing observables

The recent development of logical quantum processors marks a pivotal transition from the noisy intermediate-scale quantum (NISQ) era to the fault-tolerant quantum computing (FTQC) era. These devices have the potential to address classically challenging problems with polynomial computational time using quantum properties. However, they remain susceptible to noise, necessitating noise resilient algorithms. We introduce Quantum Zeno Monte Carlo (QZMC), a classical-quantum hybrid algorithm that demonstrates resilience to device noise and Trotter errors while showing polynomial computational cost for a gapped system. QZMC computes static and dynamic properties without requiring initial state overlap or variational parameters, offering reduced quantum circuit depth.

Han, Mancheon [Korea Institute for Advanced Study ↗
DOE OSTI2014

Noise Decoherence and Errors from Entanglement-function Theory for Quantum Computing

A significant problem in quantum computing is the development of physical realizations of algorithms that are robust against noise. One way to examine and mitigate noise would be to simulate large sets of qubits coupling to the external environment on classical computers. This is extremely challenging as quantum information processing is in some sense tied to computing resources that scale exponentially with the number of computing elements (qubits). In this LDRD, we set the foundation for a computational framework potentially allowing simulations of 1000s of qubits vs. 10s now possible. Exact wave-function-based methods demand exponentially increasing resources with system size. The method proposed, entanglement-functional theory (EFT), requires vastly fewer resources. The crucial step is to map the information contained in the wave-functions into a simpler object with associated 1.) auxiliary gate operations and 2.) entanglement functionals of this object. This is similar to the Time-dependent Density Functional Theory (TDDFT) approach that has revolutionized chemistry and materials science. Instead of dealing with the exponentially large wave-function, EFT works with a polynomially large set of projections (the density) that are easily manipulated through unitary operations. For a given set of quantum gates, an isomorphism exists that relates the sequence of events to the time-dependent density. A system of entangled qubits can be simulated at drastically reduced cost relative to existing state-of-the-art vector-state simulation codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems

Designing and refactoring complex scientific code, such as the E3SM land model (ELM), for new computing architectures is challenging. This paper presents design strategies and technical approaches to develop a data-oriented, GPU-ready ELM model using compiler directives (OpenACC/OpenMP). We first analyze the datatypes and processes in the original ELM code. Then we present design considerations for ultrahigh-resolution ELM (uELM) development for massive GPU systems. These techniques include the global data-oriented simulation workflow, domain partition, code porting and data copy, memory reduction, parallel loop restructure and flattening, and race condition detection. We implemented the first version of uELM using OpenACC targeting the NVidia GPUs in the Summit supercomputer at Oak Ridge National Laboratory. During the implementation, we developed a software tool (named SPEL) to facilitate code generation, verification, and performance tuning using these techniques. The first uELM implementation for Nvidia GPUs on Summit delivered promising results: 1) over 98% of the ELM code was automatically generated and tuned by scripts. Most ELM modules had better computational performances than the original ELM code for CPUs. The GPU-ready uELM is more scalable than the CPU code on fully-loaded Summit nodes. Example profiling results from several modules are also presented to illustrate the performance improvements and race condition detection. The lessons learned and toolkit developed in the study are also suitable for further uELM deployment using OpenMP on the first US exascale computer, Frontier, equipped with AMD CPUs and GPUs.

Schwartz, Peter↗
NASA NTRS1999

Portability and Cross-Platform Performance of an MPI-Based Parallel Polygon Renderer

Visualizing the results of computations performed on large-scale parallel computers is a challenging problem, due to the size of the datasets involved. One approach is to perform the visualization and graphics operations in place, exploiting the available parallelism to obtain the necessary rendering performance. Over the past several years, we have been developing algorithms and software to support visualization applications on NASA's parallel supercomputers. Our results have been incorporated into a parallel polygon rendering system called PGL. PGL was initially developed on tightly-coupled distributed-memory message-passing systems, including Intel's iPSC/860 and Paragon, and IBM's SP2. Over the past year, we have ported it to a variety of additional platforms, including the HP Exemplar, SGI Origin2OOO, Cray T3E, and clusters of Sun workstations. In implementing PGL, we have had two primary goals: cross-platform portability and high performance. Portability is important because (1) our manpower resources are limited, making it difficult to develop and maintain multiple versions of the code, and (2) NASA's complement of parallel computing platforms is diverse and subject to frequent change. Performance is important in delivering adequate rendering rates for complex scenes and ensuring that parallel computing resources are used effectively. Unfortunately, these two goals are often at odds. In this paper we report on our experiences with portability and performance of the PGL polygon renderer across a range of parallel computing platforms.

Crockett, Thomas W.↗