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At least 1,045 records · Page 58

Enhanced PDV waveform search and analysis method using parallel circular-convolution / cross-correlation for improved dynamic surface velocity extraction [Poster]

Previous work on exhaustive search methodologies for extracting best-match parameters pertaining to dynamic surface quantities from PDV was done by cross-correlating synthetically generated PDV waveforms with observed counterparts using the circular-convolution theorem. This work was further developed into an open-source PDV analysis toolkit called CCPDVANALYSIS which expands upon and enhances the previously tested methods by parallelizing serial algorithmic components and incorporating a comprehensive script library for different flavors of instantaneous frequency functions utilized in generating synthetic PDV waveforms. Results of these enhancements have been shown to markedly decrease execution times of exhaustive search and extraction algorithms and produce improved velocity recoveries for low-velocity and dynamically varying velocity signals. The CCPDVANALYSIS script library demonstrates an advanced method for extracting velocities from low-velocity and non-constant velocity signals further extending and improving the methods beyond capabilities of traditional frequency domain tools.

97 MATHEMATICS AND COMPUTING↗

An executable specification for the message processor in a simple combining network

While the primary function of the network in a parallel computer is to communicate data between processors, it is often useful if the network can also perform rudimentary calculations. That is, some simple processing ability in the network itself, particularly for performing parallel prefix computations, can reduce both the volume of data being communicated and the computational load on the processors proper. Unfortunately, typical implementations of such networks require a large fraction of the hardware budget, and so combining networks are viewed as being impractical. The FFP Machine has such a combining network, and various characteristics of the machine allow a good deal of simplification in the network design. Despite being simple in construction however, the network relies on many subtle details to work correctly. This paper describes an executable model of the network which will serve several purposes. It provides a complete and detailed description of the network which can substantiate its ability to support necessary functions. It provides an environment in which algorithms to be run on the network can be designed and debugged more easily than they would on physical hardware. Finally, it provides the foundation for exploring the design of the message receiving facility which connects the network to the individual processors.

Middleton, David↗

Refining HPCToolkit for application performance analysis at exascale

As part of the US Department of Energy’s Exascale Computing Project (ECP), Rice University has been refining its HPCToolkit performance tools to better support measurement and analysis of applications executing on exascale supercomputers. To efficiently collect performance measurements of GPU-accelerated applications, HPCToolkit employs novel non-blocking data structures to communicate performance measurements between tool threads and application threads. To attribute performance information in detail to source lines, loop nests, and inlined call chains, HPCToolkit performs parallel analysis of large CPU and GPU binaries involved in the execution of an exascale application to rapidly recover mappings between machine instructions and source code. To analyze terabytes of performance measurements gathered during executions at exascale, HPCToolkit employs distributed-memory parallelism, multithreading, sparse data structures, and out-of-core streaming analysis algorithms. To support interactive exploration of profiles up to terabytes in size, HPCToolkit’s hpcviewer graphical user interface uses out-of-core methods to visualize performance data. The result of these efforts is that HPCToolkit now supports collection, analysis, and presentation of profiles and traces of GPU-accelerated applications at exascale. These improvements have enabled HPCToolkit to efficiently measure, analyze and explore terabytes of performance data for executions using as many as 64K MPI ranks and 64K GPU tiles on ORNL’s Frontier supercomputer. HPCToolkit’s support for measurement and analysis of GPU-accelerated applications has been employed to study a collection of open-science applications developed as part of ECP. This paper reports on these experiences, which provided insight into opportunities for tuning applications, strengths and weaknesses of HPCToolkit itself, as well as unexpected behaviors in executions at exascale.

Adhianto, Laksono↗

Multiprocessor architecture: Synthesis and evaluation

Multiprocessor computed architecture evaluation for structural computations is the focus of the research effort described. Results obtained are expected to lead to more efficient use of existing architectures and to suggest designs for new, application specific, architectures. The brief descriptions given outline a number of related efforts directed toward this purpose. The difficulty is analyzing an existing architecture or in designing a new computer architecture lies in the fact that the performance of a particular architecture, within the context of a given application, is determined by a number of factors. These include, but are not limited to, the efficiency of the computation algorithm, the programming language and support environment, the quality of the program written in the programming language, the multiplicity of the processing elements, the characteristics of the individual processing elements, the interconnection network connecting processors and non-local memories, and the shared memory organization covering the spectrum from no shared memory (all local memory) to one global access memory. These performance determiners may be loosely classified as being software or hardware related. This distinction is not clear or even appropriate in many cases. The effect of the choice of algorithm is ignored by assuming that the algorithm is specified as given. Effort directed toward the removal of the effect of the programming language and program resulted in the design of a high-level parallel programming language. Two characteristics of the fundamental structure of the architecture (memory organization and interconnection network) are examined.

Standley, Hilda M.↗

Toward GEOS-6, A Global Cloud System Resolving Atmospheric Model

NASA is committed to observing and understanding the weather and climate of our home planet through the use of multi-scale modeling systems and space-based observations. Global climate models have evolved to take advantage of the influx of multi- and many-core computing technologies and the availability of large clusters of multi-core microprocessors. GEOS-6 is a next-generation cloud system resolving atmospheric model that will place NASA at the forefront of scientific exploration of our atmosphere and climate. Model simulations with GEOS-6 will produce a realistic representation of our atmosphere on the scale of typical satellite observations, bringing a visual comprehension of model results to a new level among the climate enthusiasts. In preparation for GEOS-6, the agency's flagship Earth System Modeling Framework [JDl] has been enhanced to support cutting-edge high-resolution global climate and weather simulations. Improvements include a cubed-sphere grid that exposes parallelism; a non-hydrostatic finite volume dynamical core, and algorithm designed for co-processor technologies, among others. GEOS-6 represents a fundamental advancement in the capability of global Earth system models. The ability to directly compare global simulations at the resolution of spaceborne satellite images will lead to algorithm improvements and better utilization of space-based observations within the GOES data assimilation system

Putman, William M.↗

Efficient Probabilistic Visualization of Local Divergence of 2D Vector Fields with Independent Gaussian Uncertainty

This work focuses on visualizing uncertainty of local divergence of two-dimensional vector fields. Divergence is one of the fundamental attributes of fluid flows, as it can help domain scientists analyze potential positions of sources (positive divergence) and sinks (negative divergence) in the flow. However, uncertainty inherent in vector field data can lead to erroneous divergence computations, adversely impacting downstream analysis. While Monte Carlo (MC) sampling is a classical approach for estimating divergence uncertainty, it suffers from slow convergence and poor scalability with increasing data size and sample counts. Thus, we present a two-fold contribution that tackles the challenges of slow convergence and limited scalability of the MC approach. (1) We derive a closed-form approach for highly efficient and accurate uncertainty visualization of local divergence, assuming independently Gaussian-distributed vector uncertainties. (2) We further integrate our approach into Viskores, a platform-portable parallel library, to accelerate uncertainty visualization. In our results, we demonstrate significantly enhanced efficiency and accuracy of our serial analytical (speed-up up to 1946×) and parallel Viskores (speed-up up to 19698×) algorithms over the classical serial MC approach. We also demonstrate qualitative improvements of our probabilistic divergence visualizations over traditional mean-field visualization, which disregards uncertainty. We validate the accuracy and efficiency of our methods on wind forecast and ocean simulation datasets.

Ouermi, Timbwaoga [University of Utah]↗

A Numerical Comparison of Barrier and Modified Barrier Methods for Large-Scale Bound-Constrained Optimization

When a classical barrier method is applied to the solution of a nonlinear programming problem with inequality constraints, the Hessian matrix of the barrier function becomes increasingly ill-conditioned as the solution is approached. As a result, it may be desirable to consider alternative numerical algorithms. We compare the performance of two methods motivated by barrier functions. The first is a stabilized form of the classical barrier method, where a numerically stable approximation to the Newton direction is used when the barrier parameter is small. The second is a modified barrier method where a barrier function is applied to a shifted form of the problem, and the resulting barrier terms are scaled by estimates of the optimal Lagrange multipliers. The condition number of the Hessian matrix of the resulting modified barrier function remains bounded as the solution to the constrained optimization problem is approached. Both of these techniques can be used in the context of a truncated-Newton method, and hence can be applied to large problems, as well as on parallel computers. In this paper, both techniques are applied to problems with bound constraints and we compare their practical behavior.

Nash, Stephen G.↗

ArborX 2.0

ArborX library tackles a problem of efficiently finding geometric objects that are close in space. Variations of this problem, such as finding the nearest neighbors of a point, or finding all objects within a certain distance, are inherent components of applications in many fields. The data may be large so that solving the problem efficiently may require significant computational resources, such as multiple processors or accelerators such as general purpose GPUs. ArborX' main advantage in its ability to solve large problems efficiently utilizing a combination of distributed and on-node parallelism. ArborX can be run efficiently on a wide variety of hardware, including GPUs from different vendors, which distinguishes it from other available libraries which typically choose only few of these. The other advantage is that it supports both types of user problems: spatial problems (useful for intersections and finding objects within certain distance), and nearest neighbor problems. ArborX also supports flexible interface in its interaction with a user. Particularly, it allows a user to call user's own function on a positive match, a functionality not rarely available in other libraries. ArborX implements construction and traversal algorithms using efficient tree structures, such as bounding volume hierarchy (BVH). At its core, ArborX uses linear BVH for its low construction cost and sufficient quality. ArborX implements both spatial and nearest-neighbor traversal algorithms. ArborX also provides several clustering algorithms (minimum spanning tree, DBSCAN, HDBSCAN*), interpolation using minimum least squares and ray tracing. ArborX is written using C++, and is parallelized using the message passing interface (MPI) for the distributed communication, and the Kokkos library for on-node parallelism. This approach allows ArborX to be run on a wide variety of hardware, from common laptops and desktops to supercomputers while using the same codebase.

Prokopenko, Andrey [Oak Ridge National Laboratory ↗

Simulating a small turboshaft engine in real-time multiprocessor simulator (RTMPS) environment

A Real-Time Multiprocessor Simulator (RTMPS) has been developed at NASA Lewis Research Center. The RTMPS uses parallel microprocessors to achieve computing speeds needed for real-time engine simulation. This report describes the use of the RTMPS system to simulate a small turboshaft engine. The process of programming the engine equations and distributing them over one, two, and four processors is discussed. Steady-state and transient results from the RTMPS simulation are compared with results from a main-frame-based simulation. Processor execution times and the associated execution time savings for the two and four processor cases are presented using actual data obtained from the RTMPS system. Included is a discussion of why the minimum achievable calculation time for the turboshaft engine model was attained using four processors. Finally, future enhancements to the RTMPS system are discussed including the development of a generalized partitioning algorithm to automatically distribute the system equations among the processors in optimum fashion.

Milner, E. J.↗

The hierarchical organization of autocatalytic reaction networks and its relevance to origin of life

Abiogenesis has long been suspected to require that chemical reaction networks contain multiple autocatalytic cores, but little is known about what features of these networks allow for the gradual accretion of complexity. To identify realistic scenarios for the emergence of life-like properties, we develop the concept of a seed-dependent autocatalytic system (SDAS), which is a subnetwork that can autocatalytically self-maintain given a flux of food, but cannot be initiated by food alone. Rather, initiation of SDASs requires the transient introduction of chemical “seeds”. We show that, depending on the topological relationship of SDASs in a chemical reaction network, a food-driven system can accrete complexity in a historically contingent manner, governed by rare seeding events. We develop new algorithms for detecting and analyzing SDASs in chemical reaction databases and describe parallels between multi-SDAS networks and biological ecosystems. Applying our algorithms to both an abiotic reaction network and a biochemical one, each driven by a set of simple food chemicals, we detect SDASs that are organized as trophic tiers, of which the higher tier can be seeded by relatively simple chemicals if the lower tier is already activated. This indicates that sequential activation of trophically organized SDASs by seed chemicals that are not much more complex than what already exist could be a mechanism of gradual complexification from relatively simple abiotic reactions to more complex life-like systems. Interestingly, in both reaction networks, higher-tier SDASs include chemicals that might alter emergent features of chemical systems and could serve as early targets of selection. Our analysis provides computational tools for analyzing very large chemical/biochemical reaction networks and suggests new approaches to studying abiogenesis in the lab.

Zhen Peng↗

On recursive least-squares filtering algorithms and implementations

In many real-time signal processing applications, fast and numerically stable algorithms for solving least-squares problems are necessary and important. In particular, under non-stationary conditions, these algorithms must be able to adapt themselves to reflect the changes in the system and take appropriate adjustments to achieve optimum performances. Among existing algorithms, the QR-decomposition (QRD)-based recursive least-squares (RLS) methods have been shown to be useful and effective for adaptive signal processing. In order to increase the speed of processing and achieve high throughput rate, many algorithms are being vectorized and/or pipelined to facilitate high degrees of parallelism. A time-recursive formulation of RLS filtering employing block QRD will be considered first. Several methods, including a new non-continuous windowing scheme based on selectively rejecting contaminated data, were investigated for adaptive processing. Based on systolic triarrays, many other forms of systolic arrays are shown to be capable of implementing different algorithms. Various updating and downdating systolic algorithms and architectures for RLS filtering are examined and compared in details, which include Householder reflector, Gram-Schmidt procedure, and Givens rotation. A unified approach encompassing existing square-root-free algorithms is also proposed. For the sinusoidal spectrum estimation problem, a judicious method of separating the noise from the signal is of great interest. Various truncated QR methods are proposed for this purpose and compared to the truncated SVD method. Computer simulations provided for detailed comparisons show the effectiveness of these methods. This thesis deals with fundamental issues of numerical stability, computational efficiency, adaptivity, and VLSI implementation for the RLS filtering problems. In all, various new and modified algorithms and architectures are proposed and analyzed; the significance of any of the new method depends crucially on specific application.

Hsieh, Shih-Fu↗

Communication overhead on the Intel Paragon, IBM SP2 and Meiko CS-2

Interprocessor communication overhead is a crucial measure of the power of parallel computing systems-its impact can severely limit the performance of parallel programs. This report presents measurements of communication overhead on three contemporary commercial multicomputer systems: the Intel Paragon, the IBM SP2 and the Meiko CS-2. In each case the time to communicate between processors is presented as a function of message length. The time for global synchronization and memory access is discussed. The performance of these machines in emulating hypercubes and executing random pairwise exchanges is also investigated. It is shown that the interprocessor communication time depends heavily on the specific communication pattern required. These observations contradict the commonly held belief that communication overhead on contemporary machines is independent of the placement of tasks on processors. The information presented in this report permits the evaluation of the efficiency of parallel algorithm implementations against standard baselines.

Bokhari, Shahid H.↗

ASICs Approach for the Implementation of a Symmetric Triangular Fuzzy Coprocessor and Its Application to Adaptive Filtering

This paper discusses the implementation of a fuzzy logic system using an ASICs design approach. The approach is based upon combining the inherent advantages of symmetric triangular membership functions and fuzzy singleton sets to obtain a novel structure for fuzzy logic system application development. The resulting structure utilizes a fuzzy static RAM to store the rule-base and the end-points of the triangular membership functions. This provides advantages over other approaches in which all sampled values of membership functions for all universes must be stored. The fuzzy coprocessor structure implements the fuzzification and defuzzification processes through a two-stage parallel pipeline architecture which is capable of executing complex fuzzy computations in less than 0.55us with an accuracy of more than 95%, thus making it suitable for a wide range of applications. Using the approach presented in this paper, a fuzzy logic rule-base can be directly downloaded via a host processor to an onchip rule-base memory with a size of 64 words. The fuzzy coprocessor's design supports up to 49 rules for seven fuzzy membership functions associated with each of the chip's two input variables. This feature allows designers to create fuzzy logic systems without the need for additional on-board memory. Finally, the paper reports on simulation studies that were conducted for several adaptive filter applications using the least mean squared adaptive algorithm for adjusting the knowledge rule-base.

Starks, Scott↗

Convergence and Quantum Advantage of Trotterized MERA for Strongly-Correlated Systems

Strongly-correlated quantum many-body systems are difficult to study and simulate classically. We recently proposed a variational quantum eigensolver (VQE) based on the multiscale entanglement renormalization ansatz (MERA) with tensors constrained to certain Trotter circuits. Here, we determine the scaling of computation costs for various critical spin chains which substantiates a polynomial quantum advantage in comparison to classical MERA simulations based on exact energy gradients or variational Monte Carlo. Algorithmic phase diagrams suggest an even greater separation for higher-dimensional systems. Hence, the Trotterized MERA VQE is a promising route for the efficient investigation of strongly-correlated quantum many-body systems on quantum computers. Furthermore, we show how the convergence can be substantially improved by building up the MERA layer by layer in the initialization stage and by scanning through the phase diagram during optimization. For the Trotter circuits being composed of single-qubit and two-qubit rotations, it is experimentally advantageous to have small rotation angles. We find that the average angle amplitude can be reduced considerably with negligible effect on the energy accuracy. Benchmark simulations suggest that the structure of the Trotter circuits for the TMERA tensors is not decisive; in particular, brick-wall circuits and parallel random-pair circuits yield very similar energy accuracies.

Miao, Qiang [Duke Quantum Center, Duke University,↗

Global Design Optimization for Aerodynamics and Rocket Propulsion Components

Modern computational and experimental tools for aerodynamics and propulsion applications have matured to a stage where they can provide substantial insight into engineering processes involving fluid flows, and can be fruitfully utilized to help improve the design of practical devices. In particular, rapid and continuous development in aerospace engineering demands that new design concepts be regularly proposed to meet goals for increased performance, robustness and safety while concurrently decreasing cost. To date, the majority of the effort in design optimization of fluid dynamics has relied on gradient-based search algorithms. Global optimization methods can utilize the information collected from various sources and by different tools. These methods offer multi-criterion optimization, handle the existence of multiple design points and trade-offs via insight into the entire design space, can easily perform tasks in parallel, and are often effective in filtering the noise intrinsic to numerical and experimental data. However, a successful application of the global optimization method needs to address issues related to data requirements with an increase in the number of design variables, and methods for predicting the model performance. In this article, we review recent progress made in establishing suitable global optimization techniques employing neural network and polynomial-based response surface methodologies. Issues addressed include techniques for construction of the response surface, design of experiment techniques for supplying information in an economical manner, optimization procedures and multi-level techniques, and assessment of relative performance between polynomials and neural networks. Examples drawn from wing aerodynamics, turbulent diffuser flows, gas-gas injectors, and supersonic turbines are employed to help demonstrate the issues involved in an engineering design context. Both the usefulness of the existing knowledge to aid current design practices and the need for future research are identified.

Shyy, Wei↗

Benchmark Comparison of Cloud Analytics Methods Applied to Earth Observations

Cloud computing has the potential to bring high performance computing capabilities to the average science researcher. However, in order to take full advantage of cloud capabilities, the science data used in the analysis must often be reorganized. This typically involves sharding the data across multiple nodes to enable relatively fine-grained parallelism. This can be either via cloud-based file systems or cloud-enabled databases such as Cassandra, Rasdaman or SciDB. Since storing an extra copy of data leads to increased cost and data management complexity, NASA is interested in determining the benefits and costs of various cloud analytics methods for real Earth Observation cases. Accordingly, NASA's Earth Science Technology Office and Earth Science Data and Information Systems project have teamed with cloud analytics practitioners to run a benchmark comparison on cloud analytics methods using the same input data and analysis algorithms. We have particularly looked at analysis algorithms that work over long time series, because these are particularly intractable for many Earth Observation datasets which typically store data with one or just a few time steps per file. This post will present side-by-side cost and performance results for several common Earth observation analysis operations.

science data management↗

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗

DIMPLES: Distributed Influence Maximization for Pandemic pLanning on Exascale Systems

We study exascale parallel algorithms for the selection of intervention or monitoring strategies in massive realistic socio-technical networks through scalable Influence Maximization (InfMax) algorithms. We employ novel techniques to enable efficient scaling on up to 8k nodes of OLCF Frontier, with 65k AMD GPUs and 458k AMD CPU cores. Current state-of-the-art InfMax tools are limited to networks with only a few million actors (vertices) and a few hundred million interactions (edges). By overcoming these limitations, we show that our approach is capable of processing a realistic social contact network of the United States with 285 million nodes and about 8 billion edges. This two orders-of-magnitude improvement over the previous state-of-the-art is obtained by leveraging algorithmic advancements for the InfMax problem and designing several problem-specific approaches to overlap communication with computation, improve GPU efficiency, and lower the application’s memory requirements. We evaluate strong scaling for computing 10k most influential seeds using up to 8k nodes of an exascale system, and weak scaling from 128 to 8k system nodes for seed sets ranging from 625 to 40k seeds. We achieve the fastest-known runtime of 25 minutes while performing 48 million diffusion simulations totaling 2.31 petabytes to identify 40k influential seeds using 8k nodes, and take 5.75 minutes to identify 10k seeds while using 4k nodes.

Minutoli, Marco [Pacific Northwest National Labora↗