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At least 289 records · Page 16

Compiler and Runtime Approaches to Enable Large-Scale Irregular Programs. Final report, July 2013 - July 2019

While regular algorithms, characterized by operations on dense matrices and arrays, have long been the mainstay of scientific, high-performance computing, irregular algorithms, which feature unpredictable accesses to pointer-based data structures, are becoming increasingly common in high performance computing, arising in graph analysis, data mining and visualization, among other domains. Unfortunately, the defining characteristics of irregular applications, their dynamic, unpredictable, data-dependent access patterns and data layouts, make achieving high performance on large scale systems difficult. Scaling applications to peta- and exa-scale requires carefully controlling communication and data movement and placement, an inherently difficult task when access patterns and data layouts are unpredictable! Most irregular applications that attain high performance must be painstakingly hand-written and hand-tuned, with few common principles or paradigms uniting various implementations and easing future development. Despite the increasing importance of irregular applications, there is little programmer knowledge, and even less compiler ability, devoted to optimizing them. This project aims to solve these problems. By allowing programmers to write irregular applications in high level forms, with at most a few annotations highlighting key structural properties, programmers can focus on developing their algorithms and methods. The compiler and run-time system can take on the tedious task of optimizing the application for execution at large scales, and can automatically provide efficient implementations. This will provide portability and ease maintenance for existing irregular applications, but, more importantly, open up whole new domains of computational science to large-scale, high-performance simulation codes.

97 MATHEMATICS AND COMPUTING↗

A Constraint-Based Planner for Data Production

This paper presents a graph-based backtracking algorithm designed to support constrain-tbased planning in data production domains. This algorithm performs backtracking at two nested levels: the outer- backtracking following the structure of the planning graph to select planner subgoals and actions to achieve them and the inner-backtracking inside a subproblem associated with a selected action to find action parameter values. We show this algorithm works well in a planner applied to automating data production in an ecological forecasting system. We also discuss how the idea of multi-level backtracking may improve efficiency of solving semi-structured constraint problems.

Pang, Wanlin↗

Applications of the Dynamic N-Dimensional K-Vector

The n-dimensional k-vector (NDKV) is an appealing alternative to binary tress for resolving complex queries in large relational databases. The method has excelled in several applications involving static databases. The present paper extends the theory supporting the NDKV to handle dynamic databases, where the data is updated frequently. This includes deleting records, adding new entries, or editing existing elements. The merit of this new version of the NDKV, the dynamic n-dimensional k-vector (DNDKV), is that it is no longer necessary to recompute the entire k-vector (the main structure that indexes the data) every time a record changes. The algorithm updates the four constituents of the standard NDKV on the fly: the database, sorted database, index, and k-vector tables. As a result, the DNDKV becomes comparable in terms of capabilities and flexibility to stateof-the-art storage engines relying on structured query languages (SQL). The performance of the DNDKV is assessed by running typical read/write operations on a database that contains millions of pre-computed missions to celestial bodies. This database requires frequent updates whenever an orbit solution is refined or new bodies are discovered. The DNDKV is faster than rebuilding the k-vector tables completely, provided that the number of elements being added or removed is not excessively large. Direct runtime comparisons with MySQL suggest that the DNDKV is several times faster for reading but might be slower for writing and updating the database. One limit of the technique is the elements being added must be within the range of the current k-vector tables. If this is not the case, the technique cannot be used and the k-vector tables must be rebuilt from scratch.

Mortari, Daniele↗

Complex Spiral Structure in the HD 100546 Transitional Disk as Revealed by GPI and MagAO

We present optical and near-infrared high-contrast images of the transitional disk HD 100546 taken with the Magellan Adaptive Optics system (MagAO) and the Gemini Planet Imager (GPI). GPI data include both polarized intensity and total intensity imagery, and MagAO data are taken in Simultaneous Differential Imaging mode at H α . The new GPI H -band total intensity data represent a significant enhancement in sensitivity and field rotation compared to previous data sets and enable a detailed exploration of substructure in the disk. The data are processed with a variety of differential imaging techniques (polarized, angular, reference, and simultaneous differential imaging) in an attempt to identify the disk structures that are most consistent across wavelengths, processing techniques, and algorithmic parameters. The inner disk cavity at 15 au is clearly resolved in multiple data sets, as are a variety of spiral features. While the cavity and spiral structures are identified at levels significantly distinct from the neighboring regions of the disk under several algorithms and with a range of algorithmic parameters, emission at the location of HD 100546 “ c ” varies from point-like under aggressive algorithmic parameters to a smooth continuous structure with conservative parameters, and is consistent with disk emission. Features identified in the HD 100546 disk bear qualitative similarity to computational models of a moderately inclined two-armed spiral disk, where projection effects and wrapping of the spiral arms around the star result in a number of truncated spiral features in forward-modeled images.

79 ASTRONOMY AND ASTROPHYSICS↗

Smart Composite Overwrapped Pressure Vessel - Integrated Structural Health Monitoring System to Meet Space Exploration and International Space Station Mission Assurance Needs

Currently there are no integrated NDE methods for baselining and monitoring defect levels in fleet for Composite Overwrapped Pressure Vessels (COPVs) or related fracture critical composites, or for performing life-cycle maintenance inspections either in a traditional remove-and-inspect mode or in a more modern in situ inspection structural health monitoring (SHM) mode. Implicit in SHM and autonomous inspection is the existence of quantitative accept-reject criteria. To be effective, these criteria must correlate with levels of damage known to cause composite failure. Furthermore, implicit in SHM is the existence of effective remote sensing hardware and automated techniques and algorithms for interpretation of SHM data. SHM of facture critical composite structures, especially high pressure COPVs, is critical to the success of nearly every future NASA space exploration program as well as life extension of the International Space Station. It has been clearly stated that future NASA missions may not be successful without SHM [1]. Otherwise, crews will be busy addressing subsystem health issues and not focusing on the real NASA mission

Saulsberry, Regor↗

A review and analysis of neural networks for classification of remotely sensed multispectral imagery

A literature survey and analysis of the use of neural networks for the classification of remotely sensed multispectral imagery is presented. As part of a brief mathematical review, the backpropagation algorithm, which is the most common method of training multi-layer networks, is discussed with an emphasis on its application to pattern recognition. The analysis is divided into five aspects of neural network classification: (1) input data preprocessing, structure, and encoding; (2) output encoding and extraction of classes; (3) network architecture, (4) training algorithms; and (5) comparisons to conventional classifiers. The advantages of the neural network method over traditional classifiers are its non-parametric nature, arbitrary decision boundary capabilities, easy adaptation to different types of data and input structures, fuzzy output values that can enhance classification, and good generalization for use with multiple images. The disadvantages of the method are slow training time, inconsistent results due to random initial weights, and the requirement of obscure initialization values (e.g., learning rate and hidden layer size). Possible techniques for ameliorating these problems are discussed. It is concluded that, although the neural network method has several unique capabilities, it will become a useful tool in remote sensing only if it is made faster, more predictable, and easier to use.

Paola, Justin D.↗

PDB-IHM: A System for Deposition, Curation, Validation, and Dissemination of Integrative Structures

Structures of many large biomolecular assemblies are now being determined using integrative approaches. In these approaches, information derived from multiple experimental and computational methods is combined to compute three-dimensional structures of multi-protein complexes and other macromolecular machines. A standalone prototype data resource for integrative structures called PDB-Dev was built, based on recommendations of the Integrative and Hybrid Methods (IHM) Task Force of the Worldwide Protein Data Bank (wwPDB). This effort included developing data standards and software tools for collecting, curating, validating, visualizing, archiving, and disseminating integrative structures that span diverse spatiotemporal scales and conformational states. Mechanisms have been created to validate integrative structures based on the experimental data underpinning them. Building upon this foundational framework, PDB-Dev has been further expanded to handle large dynamic macromolecular systems and integrative structures that combine, for example, experimental restraints with atomic coordinates computed by machine learning algorithms. Data standards and supporting tools have also been extended to capture information about biomolecular dynamics, such as conformational transitions and related kinetic data derived from biophysical methods. Recently, PDB-Dev was unified with the PDB archive and rebranded as PDB-IHM (pdb-ihm.org), further promoting FAIR (Findable, Accessible, Interoperable, and Reusable) principles of data stewardship for integrative structural biology.

IHMCIF↗

Comparison of several system identification methods for flexible structures

In the last few years various methods of identifying structural dynamics models from modal testing data have appeared. A comparison is presented of four of these algorithms: the Eigensystem Realization Algorithm (ERA), the modified version ERA/DC where DC indicated that it makes use of data correlation, the Q-Markov Cover algorithm, and an algorithm due to Moonen, DeMoor, Vandenberghe, and Vandewalle. The comparison is made using a five mode computer module of the 20 meter Mini-Mast truss structure at NASA Langley Research Center, and various noise levels are superimposed to produced simulated data. The results show that for the example considered ERA/DC generally gives the best results; that ERA/DC is always at least as good as ERA which is shown to be a special case of ERA/DC; that Q-Markov requires the use of significantly more data than ERA/DC to produce comparable results; and that is some situations Q-Markov cannot produce comparable results.

Lew, J.-S.↗

A revised partiality model and post-refinement algorithm for X-ray free-electron laser data

An updated partiality model and post-refinement algorithm for XFEL snapshot diffraction data is presented and confirmed by observing anomalous density for S atoms at an X-ray wavelength of 1.3 Å. Research towards using X-ray free-electron laser (XFEL) data to solve structures using experimental phasing methods such as sulfur single-wavelength anomalous dispersion (SAD) has been hampered by shortcomings in the diffraction models for X-ray diffraction from FELs. Owing to errors in the orientation matrix and overly simple partiality models, researchers have required large numbers of images to converge to reliable estimates for the structure-factor amplitudes, which may not be feasible for all biological systems. Here, data for cytoplasmic polyhedrosis virus type 17 (CPV17) collected at 1.3 Å wavelength at the Linac Coherent Light Source (LCLS) are revisited. A previously published definition of a partiality model for reflections illuminated by self-amplified spontaneous emission (SASE) pulses is built upon, which defines a fraction between 0 and 1 based on the intersection of a reflection with a spread of Ewald spheres modelled by a super-Gaussian wavelength distribution in the X-ray beam. A method of post-refinement to refine the parameters of this model is suggested. This has generated a merged data set with an overall discrepancy (by calculating the R{sub split} value) of 3.15% to 1.46 Å resolution from a 7225-image data set. The atomic numbers of C, N and O atoms in the structure are distinguishable in the electron-density map. There are 13 S atoms within the 237 residues of CPV17, excluding the initial disordered methionine. These only possess 0.42 anomalous scattering electrons each at 1.3 Å wavelength, but the 12 that have single predominant positions are easily detectable in the anomalous difference Fourier map. It is hoped that these improvements will lead towards XFEL experimental phase determination and structure determination by sulfur SAD and will generally increase the utility of the method for difficult cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development and Testing of Data Mining Algorithms for Earth Observation

The new algorithms developed under this project included a principled procedure for classification of objects, events or circumstances according to a target variable when a very large number of potential predictor variables is available but the number of cases that can be used for training a classifier is relatively small. These "high dimensional" problems require finding a minimal set of variables -called the Markov Blanket-- sufficient for predicting the value of the target variable. An algorithm, the Markov Blanket Fan Search, was developed, implemented and tested on both simulated and real data in conjunction with a graphical model classifier, which was also implemented. Another algorithm developed and implemented in TETRAD IV for time series elaborated on work by C. Granger and N. Swanson, which in turn exploited some of our earlier work. The algorithms in question learn a linear time series model from data. Given such a time series, the simultaneous residual covariances, after factoring out time dependencies, may provide information about causal processes that occur more rapidly than the time series representation allow, so called simultaneous or contemporaneous causal processes. Working with A. Monetta, a graduate student from Italy, we produced the correct statistics for estimating the contemporaneous causal structure from time series data using the TETRAD IV suite of algorithms. Two economists, David Bessler and Kevin Hoover, have independently published applications using TETRAD style algorithms to the same purpose. These implementations and algorithmic developments were separately used in two kinds of studies of climate data: Short time series of geographically proximate climate variables predicting agricultural effects in California, and longer duration climate measurements of temperature teleconnections.

Glymour, Clark↗

An Analysis of Gamma-ray Burst Time Profiles from the Burst and Transient Source Experiment

This proposal requested funding to measure the durations of gamma-ray bursts (GRB) in the 4B catalog as well as to study the structure of GRB time profiles returned by the Burst And Transient Source Experiment (BATSE) on board the Compton Gamma-Ray Observatory. The duration (T90) was to be measured using the same techniques and algorithms developed by the principal investigator for the 3B data. The profile structure studies fall into the two categories of variability and fractal analyses.

Lestrade, John Patrick↗

Inter-comparison between AIRS and IASI through Retrieved Parameters

A State-of-the-art retrieval algorithm dealing with all-weather conditions has been applied to satellite/aircraft instruments retrieving cloud/surface and atmospheric conditions. High quality retrievals have been achieved from IASI data. Surface, cloud, and atmospheric structure and variation are well captured by IASI measurements and/or retrievals. The same retrieval algorithm is also applied to AIRS for retrieval inter-comparison. Both AIRS and IASI have a similar FOV size but AIRS has a higher horizontal resolution. AIRS data can be interpolated to IASI horizontal resolution for inter-comparison at the same geophysical locations, however a temporal variation between AIRS and IASI observations need to be considered. JAIVEx has employed aircraft to obtain the atmospheric variation filling the temporal gap between two satellites. First results show that both AIRS and IASI have a very similar vertical resolving power, atmospheric conditions are well captured by both instruments, and radiances are well calibrated. AIRS data shown in retrievals (e.g., surface emissivity and moisture) have a relatively higher noise level. Since the this type of retrieval is very sensitive to its radiance quality, retrieval products inter-comparison is an effective way to identify/compare their radiance quality, in terms of a combination of spectral resolution and noise level, and to assess instrument performance. Additional validation analyses are needed to provide more-definitive conclusions.

Zhou, Daniel K.↗

Comparison of several system identification methods for flexible structures

In the last few years various methods of identifying structural dynamics models from modal testing data have appeared. This paper presents a comparison of four of these algorithms: the Eigensystem Realization Algorithm (ERA), the modified version ERA/DC where DC indicates that it makes use of data correlations, the Q-Markov Cover algorithm, and an algorithm due to Moonen, DeMoor, Vandenberghe and Vandewalle. The comparison is made using a five mode computer model of the 20 meter Mini-Mast truss structure at NASA Langley Research Center, and various noise levels are superimposed to produce simulated data. The results show that for the example considered ERA/DC generally gives the best results; that ERA/DC is always at least as good as ERA which is shown to be a special case of ERA/DC; that Q-Markov requires the use of significantly more data than ERA/DC to produce comparable results; and that in some situations Q-Markov cannot produce comparable results.

Lew, J.-S.↗

A flexible grid embedding technique with application to the Euler equations

An automated grid embedding procedure for solution of flows about complex geometries is described. The physical domain is subdivided into regions that can accommodate easily generated grids. The grids are organized in a hierarchical structure, and communication among grids is accomplished by interpolation of the flow variables at mesh boundaries. Algorithms for locating embedded boundaries, special treatment of the embedded grids, and the data structures required for manipulating the solution data are described. The method is demonstrated by solution of the Euler equations for transonic flow about a supercritical airfoil and a flapped airfoil.

Benek, J. A.↗

Index Sets and Vectorization

Vectorization is data parallelism (SIMD, SIMT, etc.) - extension of ISA enabling the same instruction to be performed on multiple data items simultaeously. Many/most CPUs support vectorization in some form. Vectorization is difficult to enable, but can yield large efficiency gains. Extra programmer effort is required because: (1) not all algorithms can be vectorized (regular algorithm structure and fine-grain parallelism must be used); (2) most CPUs have data alignment restrictions for load/store operations (obey or risk incorrect code); (3) special directives are often needed to enable vectorization; and (4) vector instructions are architecture-specific. Vectorization is the best way to optimize for power and performance due to reduced clock cycles. When data is organized properly, a vector load instruction (i.e. movaps) can replace 'normal' load instructions (i.e. movsd). Vector operations can potentially have a smaller footprint in the instruction cache when fewer instructions need to be executed. Hybrid index sets insulate users from architecture specific details. We have applied hybrid index sets to achieve optimal vectorization. We can extend this concept to handle other programming models.

97 MATHEMATICS AND COMPUTING↗

Frequency response modeling and control of flexible structures: Computational methods

The dynamics of vibrations in flexible structures can be conventiently modeled in terms of frequency response models. For structural control such models capture the distributed parameter dynamics of the elastic structural response as an irrational transfer function. For most flexible structures arising in aerospace applications the irrational transfer functions which arise are of a special class of pseudo-meromorphic functions which have only a finite number of right half place poles. Computational algorithms are demonstrated for design of multiloop control laws for such models based on optimal Wiener-Hopf control of the frequency responses. The algorithms employ a sampled-data representation of irrational transfer functions which is particularly attractive for numerical computation. One key algorithm for the solution of the optimal control problem is the spectral factorization of an irrational transfer function. The basis for the spectral factorization algorithm is highlighted together with associated computational issues arising in optimal regulator design. Options for implementation of wide band vibration control for flexible structures based on the sampled-data frequency response models is also highlighted. A simple flexible structure control example is considered to demonstrate the combined frequency response modeling and control algorithms.

Bennett, William H.↗

Evaluation of Graph Analytics Frameworks Using the GAP Benchmark Suite

The analysis of connected data is an increasingly important application in high-performance computing. Such analyses can reveal fraudulent patterns in financial transactions, optimize telecommunications networks, predict information flow in social networks, etc. However, the landscape of graph analytics is highly diverse. Graph algorithms stress processor architectures differently, and no one graph can represent all topologies. Consequently, no single approach or framework is expected to be optimal for all graph analytics problems. To help make sense of this diverse landscape, we evaluated four approaches to graph analytics: GraphBLAS, Galois, BGL17, GraphIt; and compare them against hand-tuned implementations that take advantage of hardware features on our test platform. Graph- BLAS formulates graph analytics as sparse linear algebra. Galois provides syntactic constructs for data parallelism over irregular data structures. BGL17 is a generic C++ template library for implementing graph algorithms. GraphIt provides a domain- specific language to describe and optimize graph algorithms. We use the GAP Benchmark Suite to establish baseline performance and guide the side-by-side evaluation of each framework. GAP consists of 30 tests: six graph analytics algorithms (breadth- first search, single-source shortest path, PageRank, betweenness centrality, connected components, and triangle counting) run on five graphs, each with different topological characteristics (e.g., high diameter, skewed degree distribution, high average degree). High-performance reference implementations are included for each benchmark algorithm. Because a graph can be loaded into memory a number of ways (e.g., flat file on disk, compressed sparse format, data frames, retrieved from SQL or NoSQL databases), our evaluation focused on computational performance rather than I/O. Our results show the relative strengths of each framework.

Graph algorithms, Benchmarking, shared-memory prog↗