Publications

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We present an algorithm to maintain the connected components of a graph that arrives as an infinite stream of edges. We formalize the algorithm on X-stream, a new parallel theoretical computational model for infinite streams. Connectivity-related queries, including component spanning trees, are supported with some latency, returning the state of the graph at the time of the query. Because an infinite stream may eventually exceed the storage limits of any number of finite-memory processors, we assume an aging command or daemon where "uninteresting" edges are removed when the system nears capacity. Following an aging command the system will block queries until its data structures are repaired, but edges will continue to be accepted from the stream, never dropped. The algorithm will not fail unless a model-specific constant fraction of the aggregate memory across all processors is full. In normal operation, it will not fail unless aggregate memory is completely full. Unlike previous theoretical streaming models designed for finite graphs that assume a single shared memory machine or require arbitrary-size intemediate files, X-stream distributes a graph over a ring network of finite-memory processors. Though the model is synchronous and reminiscent of systolic algorithms, our implementation uses an asynchronous message-passing system. We argue the correctness of our X-stream connected components algorithm, and give preliminary experimental results on synthetic and real graph streams.

Mathematical modeling of anatomically-constrained neural networks has provided significant insights regarding the response of networks to neurological disorders or injury. A logical extension of these models is to incorporate treatment regimens to investigate network responses to intervention. The addition of nascent neurons from stem cell precursors into damaged or diseased tissue has been used as a successful therapeutic tool in recent decades. Interestingly, models have been developed to examine the incorporation of new neurons into intact adult structures, particularly the dentate granule neurons of the hippocampus. These studies suggest that the unique properties of maturing neurons, can impact circuit behavior in unanticipated ways. In this perspective, we review the current status of models used to examine damaged CNS structures with particular focus on cortical damage due to stroke. Secondly, we suggest that computational modeling of cell replacement therapies can be made feasible by implementing approaches taken by current models of adult neurogenesis. The development of these models is critical for generating hypotheses regarding transplant therapies and improving outcomes by tailoring transplants to desired effects.

Power and energy concerns are motivating chip manufacturers to consider future hybrid-core processor designs that combine a small number of traditional cores optimized for single-thread performance with a large number of simpler cores optimized for throughput performance. This trend is likely to impact the way compute resources for network protocol processing functions are allocated and managed. In particular, the performance of MPI match processing is critical to achieving high message throughput. In this paper, we analyze the ability of simple and more complex cores to perform MPI matching operations for various scenarios in order to gain insight into how MPI implementations for future hybrid-core processors should be designed.

The manycore revolution in computational hardware can be characterized by increasing thread counts, decreasing memory per thread, and architecture specific performance constraints for memory access patterns. High performance computing (HPC) on emerging many core architectures requires codes to exploit every opportunity for thread-level parallelism and satisfy conflicting performance constraints. We developed the Kokkos C++ library to provide scientific and engineering codes with a user accessible many core performance portable programming model. The two foundational abstractions of Kokkos are (1) dispatch work to a many core device for parallel execution and (2) manage multidimensional arrays with polymorphic layouts. The integration of these abstractions enables users' code to satisfy multiple architecture specific memory access pattern performance constraints without having to modify their source code. In this paper we describe the Kokkos abstractions, summarize its application programmer interface (API), and present performance results for a molecular dynamics computational kernel and finite element mini-application. © 2013 IEEE.

Scalable parallel computing is essential for processing large scale-free (power-law) graphs. The distribution of data across processes becomes important on distributed-memory computers with thousands of cores. It has been shown that two dimensional layouts (edge partitioning) can have significant advantages over traditional one-dimensional layouts. However, simple 2D block distribution does not use the structure of the graph, and more advanced 2D partitioning methods are too expensive for large graphs. We propose a new two-dimensional partitioning algorithm that combines graph partitioning with 2D block distribution. The computational cost of the algorithm is essentially the same as 1D graph partitioning. We study the performance of sparse matrix-vector multiplication (SpMV) for scale-free graphs from the web and social networks using several different partitioners and both 1D and 2D data layouts. We show that SpMV run time is reduced by exploiting the graph's structure. Contrary to popular belief, we observe that current graph and hypergraph partitioners often yield relatively good partitions on scale-free graphs. We demonstrate that our new 2D partitioning method consistently outperforms the other methods considered, for both SpMV and an eigensolver, on matrices with up to 1.6 billion nonzeros using up to 16,384 cores. Copyright 2013 ACM.

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Modeling geospatial information with semantic graphs enables search for sites of interest based on relationships between features, without requiring strong a priori models of feature shape or other intrinsic properties. Geospatial semantic graphs can be constructed from raw sensor data with suitable preprocessing to obtain a discretized representation. This report describes initial work toward extending geospatial semantic graphs to include temporal information, and initial results applying semantic graph techniques to SAR image data. We describe an efficient graph structure that includes geospatial and temporal information, which is designed to support simultaneous spatial and temporal search queries. We also report a preliminary implementation of feature recognition, semantic graph modeling, and graph search based on input SAR data. The report concludes with lessons learned and suggestions for future improvements.

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction, which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic effects, and is well suited to solid state quantum dot systems containing few electrons, where valley physics and disorder contribute significantly to device behavior. Results are reported for a two-electron silicon double quantum dot as an example. © 2012 American Institute of Physics.

Many of the Performance Shaping Factors (PSFs) used in Human Reliability Analysis (HRA) methods are not directly measurable or observable. Methods like SPAR-H require the analyst to assign values for all of the PSFs, regardless of the PSF observability; this introduces subjectivity into the human error probability (HEP) calculation. One method to reduce the subjectivity of HRA estimates is to formally incorporate information about the probability of the PSFs into the methodology for calculating the HEP. This can be accomplished by encoding prior information in a Bayesian Network (BN) and updating the network using available observations. We translated an existing HRA methodology, SPAR-H, into a Bayesian Network to demonstrate the usefulness of the BN framework. We focus on the ability to incorporate prior information about PSF probabilities into the HRA process. This paper discusses how we produced the model by combining information from two sources, and how the BN model can be used to estimate HEPs despite missing observations. Use of the prior information allows HRA analysts to use partial information to estimate HEPs, and to rely on the prior information (from data or cognitive literature) when they are unable to gather information about the state of a particular PSF. The SPAR-H BN model is a starting point for future research activities to create a more robust HRA BN model using data from multiple sources.

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The predictions for exascale computing are dire. Although we have benefited from a consistent supercomputer architecture design, even across manufacturers, for well over a decade, recent trends indicate that future high-performance computers will have different hardware structure and programming models to which software must adapt. This paper provides an informal discussion on the ways in which changes in high-performance computing architecture will profoundly affect the scalability of our current generation of scientific visualization and analysis codes and how we must adapt our applications, workflows, and attitudes to continue our success at exascale computing. © 2012 IEEE.

The computing community is in the midst of a disruptive architectural change. The advent of manycore and heterogeneous computing nodes forces us to reconsider every aspect of the system software and application stack. To address this challenge there is a broad spectrum of approaches, which we roughly classify as either revolutionary or evolutionary. With the former, the entire code base is re-written, perhaps using a new programming language or execution model. The latter, which is the focus of this work, seeks a piecewise path of effective incremental change. The end effect of our approach will be revolutionary in that the control structure of the application will be markedly different in order to utilize single-instruction multiple-data/thread (SIMD/SIMT), manycore and heterogeneous nodes, but the physics code fragments will be remarkably similar. Our approach is guided by a set of mission driven applications and their proxies, focused on balancing performance potential with the realities of existing application code bases. Although the specifics of this process have not yet converged, we find that there are several important steps that developers of scientific and engineering application programs can take to prepare for making effective use of these challenging platforms. Aiding an evolutionary approach is the recognition that the performance potential of the architectures is, in a meaningful sense, an extension of existing capabilities: vectorization, threading, and a re-visiting of node interconnect capabilities. Therefore, as architectures, programming models, and programming mechanisms continue to evolve, the preparations described herein will provide significant performance benefits on existing and emerging architectures. © 2012 IEEE.

The push to exascale computing is informed by the assumption that the architecture, regardless of the specific design, will be fundamentally different from petascale computers. The Mantevo project has been established to produce a set of proxies, or 'miniapps,' which enable rapid exploration of key performance issues that impact a broad set of scientific applications programs of interest to ASC and the broader HPC community. Understanding the conditions under which a miniapp can be confidently used as predictive of an applications' behavior must be clearly elucidated. Toward this end, we have developed a methodology for assessing the predictive capabilities of application proxies. Adhering to the spirit of experimental validation, our approach provides a framework for examining data from the application with that provided by their proxies. In this poster we present this methodology, and apply it to three miniapps developed by the Mantevo project. © 2012 IEEE.

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