banner pubs

SCI Publications

2016


U. Rüde, K. Willcox, L. C. McInnes, H. De Sterck, G. Biros, H. Bungartz, J. Corones, E. Cramer, J. Crowley, O. Ghattas, M. Gunzburger, M. Hanke, R. Harrison, M. Heroux, J. Hesthaven, P. Jimack, C. Johnson, K. E. Jordan, D. E. Keyes, R. Krause, V. Kumar, S. Mayer, J. Meza, K. M. Mørken, J. T. Oden, L. Petzold, P. Raghavan, S. M. Shontz, A. Trefethen, P. Turner, V. Voevodin, B. Wohlmuth, C. S. Woodward. “Research and Education in Computational Science and Engineering,” Subtitled “Report from a workshop sponsored by the Society for Industrial and Applied Mathematics (SIAM) and the European Exascale Software Initiative (EESI-2),” Aug, 2016.

ABSTRACT

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.



H. De Sterck, C. Johnson,, L. C. McInnes. “Special Section on Two Themes: CSE Software and Big Data in CSE,” In SIAM J. Sci. Comput, Vol. 38, No. 5, SIAM, pp. S1--S2. 2016.

ABSTRACT

The 2015 SIAM Conference on Computational Science and Engineering (CSE) was held March 14-18, 2015, in Salt Lake City, Utah. The SIAM Journal on Scientific Computing (SISC) created this special section in association with the CSE15 conference. The special section focuses on two topics that are of significant current interest to CSE researchers: CSE software and big data in CSE.

Read More: http://epubs.siam.org/doi/abs/10.1137/16N974188



D. Sunderland, B. Peterson, J. Schmidt, A. Humphrey, J. Thornock,, M. Berzins. “An Overview of Performance Portability in the Uintah Runtime System Through the Use of Kokkos,” In Proceedings of the Second Internationsl Workshop on Extreme Scale Programming Models and Middleware, Salt Lake City, Utah, ESPM2, IEEE Press, Piscataway, NJ, USA pp. 44--47. 2016.
ISBN: 978-1-5090-3858-9
DOI: 10.1109/ESPM2.2016.10

ABSTRACT

The current diversity in nodal parallel computer architectures is seen in machines based upon multicore CPUs, GPUs and the Intel Xeon Phi's. A class of approaches for enabling scalability of complex applications on such architectures is based upon Asynchronous Many Task software architectures such as that in the Uintah framework used for the parallel solution of solid and fluid mechanics problems. Uintah has both an applications layer with its own programming model and a separate runtime system. While Uintah scales well today, it is necessary to address nodal performance portability in order for it to continue to do. Incrementally modifying Uintah to use the Kokkos performance portability library through prototyping experiments results in improved kernel performance by more than a factor of two.



X. Tong, J. Edwards, C. Chen, H. Shen, C. R. Johnson, P. Wong. “View-Dependent Streamline Deformation and Exploration,” In Transactions on Visualization and Computer Graphics, Vol. 22, No. 7, IEEE, pp. 1788--1801. July, 2016.
ISSN: 1077-2626
DOI: 10.1109/tvcg.2015.2502583

ABSTRACT

Occlusion presents a major challenge in visualizing 3D flow and tensor fields using streamlines. Displaying too many streamlines creates a dense visualization filled with occluded structures, but displaying too few streams risks losing important features. We propose a new streamline exploration approach by visually manipulating the cluttered streamlines by pulling visible layers apart and revealing the hidden structures underneath. This paper presents a customized view-dependent deformation algorithm and an interactive visualization tool to minimize visual clutter in 3D vector and tensor fields. The algorithm is able to maintain the overall integrity of the fields and expose previously hidden structures. Our system supports both mouse and direct-touch interactions to manipulate the viewing perspectives and visualize the streamlines in depth. By using a lens metaphor of different shapes to select the transition zone of the targeted area interactively, the users can move their focus and examine the vector or tensor field freely.

Keywords: Context;Deformable models;Lenses;Shape;Streaming media;Three-dimensional displays;Visualization;Flow visualization;deformation;focus+context;occlusion;streamline;white matter tracts



W. Usher, I. Wald, A. Knoll, M. Papka, V. Pascucci. “In Situ Exploration of Particle Simulations with CPU Ray Tracing,” In Supercomputing Frontiers and Innovations, Vol. 3, No. 4, 2016.
ISSN: 2313-8734
DOI: 10.14529/jsfi160401

ABSTRACT

We present a system for interactive in situ visualization of large particle simulations, suitable for general CPU-based HPC architectures. As simulations grow in scale, in situ methods are needed to alleviate IO bottlenecks and visualize data at full spatio-temporal resolution. We use a lightweight loosely-coupled layer serving distributed data from the simulation to a data-parallel renderer running in separate processes. Leveraging the OSPRay ray tracing framework for visualization and balanced P-k-d trees, we can render simulation data in real-time, as they arrive, with negligible memory overhead. This flexible solution allows users to perform exploratory in situ visualization on the same computational resources as the simulation code, on dedicated visualization clusters or remote workstations, via a standalone rendering client that can be connected or disconnected as needed. We evaluate this system on simulations with up to 227M particles in the LAMMPS and Uintah computational frameworks, and show that our approach provides many of the advantages of tightly-coupled systems, with the flexibility to render on a wide variety of remote and co-processing resources.



E. Wong, S. Palande, Bei Wang, B. Zielinski, J. Anderson, P. T. Fletcher. “Kernel Partial Least Squares Regression for Relating Functional Brain Network Topology to Clinical Measures of Behavior,” In 2016 IEEE 13th International Symposium on Biomedical Imaging (ISBI), IEEE, April, 2016.
DOI: 10.1109/isbi.2016.7493506

ABSTRACT

In this paper we present a novel method for analyzing the relationship between functional brain networks and behavioral phenotypes. Drawing from topological data analysis, we first extract topological features using persistent homology from functional brain networks that are derived from correlations in resting-state fMRI. Rather than fixing a discrete network topology by thresholding the connectivity matrix, these topological features capture the network organization across all continuous threshold values. We then propose to use a kernel partial least squares (kPLS) regression to statistically quantify the relationship between these topological features and behavior measures. The kPLS also provides an elegant way to combine multiple image features by using linear combinations of multiple kernels. In our experiments we test the ability of our proposed brain network analysis to predict autism severity from rs-fMRI. We show that combining correlations with topological features gives better prediction of autism severity than using correlations alone.


2015


K.K. Aras, W. Good, J. Tate, B.M. Burton, D.H. Brooks, J. Coll-Font, O. Doessel, W. Schulze, D. Patyogaylo, L. Wang, P. Van Dam,, R.S. MacLeod. “Experimental Data and Geometric Analysis Repository: EDGAR,” In Journal of Electrocardiology, 2015.

ABSTRACT

Introduction
The "Experimental Data and Geometric Analysis Repository", or EDGAR is an Internet-based archive of curated data that are freely distributed to the international research community for the application and validation of electrocardiographic imaging (ECGI) techniques. The EDGAR project is a collaborative effort by the Consortium for ECG Imaging (CEI, ecg-imaging.org), and focused on two specific aims. One aim is to host an online repository that provides access to a wide spectrum of data, and the second aim is to provide a standard information format for the exchange of these diverse datasets.

Methods
The EDGAR system is composed of two interrelated components: 1) a metadata model, which includes a set of descriptive parameters and information, time signals from both the cardiac source and body-surface, and extensive geometric information, including images, geometric models, and measure locations used during the data acquisition/generation; and 2) a web interface. This web interface provides efficient, search, browsing, and retrieval of data from the repository.

Results
An aggregation of experimental, clinical and simulation data from various centers is being made available through the EDGAR project including experimental data from animal studies provided by the University of Utah (USA), clinical data from multiple human subjects provided by the Charles University Hospital (Czech Republic), and computer simulation data provided by the Karlsruhe Institute of Technology (Germany).

Conclusions
It is our hope that EDGAR will serve as a communal forum for sharing and distribution of cardiac electrophysiology data and geometric models for use in ECGI research.



J. Bennett, F. Vivodtzev, V. Pascucci (Eds.). “Topological and Statistical Methods for Complex Data,” Subtitled “Tackling Large-Scale, High-Dimensional, and Multivariate Data Spaces,” Mathematics and Visualization, Springer Berlin Heidelberg, 2015.
ISBN: 978-3-662-44899-1

ABSTRACT

This book contains papers presented at the Workshop on the Analysis of Large-scale,
High-Dimensional, and Multi-Variate Data Using Topology and Statistics, held in Le Barp,
France, June 2013. It features the work of some of the most prominent and recognized
leaders in the field who examine challenges as well as detail solutions to the analysis of
extreme scale data.
The book presents new methods that leverage the mutual strengths of both topological
and statistical techniques to support the management, analysis, and visualization
of complex data. It covers both theory and application and provides readers with an
overview of important key concepts and the latest research trends.
Coverage in the book includes multi-variate and/or high-dimensional analysis techniques,
feature-based statistical methods, combinatorial algorithms, scalable statistics algorithms,
scalar and vector field topology, and multi-scale representations. In addition, the book
details algorithms that are broadly applicable and can be used by application scientists to
glean insight from a wide range of complex data sets.



J. Bennett, R. Clay, G. Baker, M. Gamell, D. Hollman, S. Knight, H. Kolla, G. Sjaardema, N. Slattengren, K. Teranishi, J. Wilke, M. Bettencourt, S. Bova, K. Franko, P. Lin, R. Grant, S. Hammond, S. Olivier. “ASC ATDM Level 2 Milestone #5325,” Subtitled “Asynchronous Many-Task Runtime System Analysis and Assessment for Next Generation Platforms,” Note: Sandia Report, 2015.

ABSTRACT

This report provides in-depth information and analysis to help create a technical road map for developing nextgeneration programming models and runtime systems that support Advanced Simulation and Computing (ASC) workload requirements. The focus herein is on asynchronous many-task (AMT) model and runtime systems, which are of great interest in the context of "exascale" computing, as they hold the promise to address key issues associated with future extreme-scale computer architectures. This report includes a thorough qualitative and quantitative examination of three best-of-class AMT runtime systems—Charm++, Legion, and Uintah, all of which are in use as part of the ASC Predictive Science Academic Alliance Program II (PSAAP-II) Centers. The studies focus on each of the runtimes' programmability, performance, and mutability. Through the experiments and analysis presented, several overarching findings emerge. From a performance perspective, AMT runtimes show tremendous potential for addressing extremescale challenges. Empirical studies show an AMT runtime can mitigate performance heterogeneity inherent to the machine itself and that Message Passing Interface (MPI) and AMT runtimes perform comparably under balanced conditions. From a programmability and mutability perspective however, none of the runtimes in this study are currently ready for use in developing production-ready Sandia ASC applications. The report concludes by recommending a codesign path forward, wherein application, programming model, and runtime system developers work together to define requirements and solutions. Such a requirements-driven co-design approach benefits the high-performance computing (HPC) community as a whole, with widespread community engagement mitigating risk for both application developers and runtime system developers.



J. Bennett, R. Clay, G. Baker, M. Gamell, D. Hollman, S. Knight, H. Kolla, G. Sjaardema, N. Slattengren, K. Teranishi, J. Wilke, M. Bettencourt, S. Bova, K. Franko, P. Lin, R. Grant, S. Hammond, S. Olivier, L. Kale, N. Jain, E. Mikida, A. Aiken, M. Bauer, W. Lee, E. Slaughter, S. Treichler, M. Berzins, T. Harman, A. Humphrey, J. Schmidt, D. Sunderland, P. McCormick, S. Gutierrez, M. Schulz, A. Bhatele, D. Boehme, P. Bremer, T. Gamblin. “ASC ATDM level 2 milestone #5325: Asynchronous many-task runtime system analysis and assessment for next generation platforms,” Sandia National Laboratories, 2015.

ABSTRACT

This report provides in-depth information and analysis to help create a technical road map for developing nextgeneration programming models and runtime systems that support Advanced Simulation and Computing (ASC) workload requirements. The focus herein is on asynchronous many-task (AMT) model and runtime systems, which are of great interest in the context of "exascale" computing, as they hold the promise to address key issues associated with future extreme-scale computer architectures. This report includes a thorough qualitative and quantitative examination of three best-of-class AMT runtime systems—Charm++, Legion, and Uintah, all of which are in use as part of the ASC Predictive Science Academic Alliance Program II (PSAAP-II) Centers. The studies focus on each of the runtimes' programmability, performance, and mutability. Through the experiments and analysis presented, several overarching findings emerge. From a performance perspective, AMT runtimes show tremendous potential for addressing extremescale challenges. Empirical studies show an AMT runtime can mitigate performance heterogeneity inherent to the machine itself and that Message Passing Interface (MPI) and AMT runtimes perform comparably under balanced conditions. From a programmability and mutability perspective however, none of the runtimes in this study are currently ready for use in developing production-ready Sandia ASC applications. The report concludes by recommending a codesign path forward, wherein application, programming model, and runtime system developers work together to define requirements and solutions. Such a requirements-driven co-design approach benefits the high-performance computing (HPC) community as a whole, with widespread community engagement mitigating risk for both application developers and runtime system developers.



H. Bhatia, Bei Wang, G. Norgard, V. Pascucci, P. T. Bremer. “Local, Smooth, and Consistent Jacobi Set Simplification,” In Computational Geometry, Vol. 48, No. 4, Elsevier, pp. 311-332. May, 2015.
DOI: 10.1016/j.comgeo.2014.10.009

ABSTRACT

The relation between two Morse functions defined on a smooth, compact, and orientable 2-manifold can be studied in terms of their Jacobi set. The Jacobi set contains points in the domain where the gradients of the two functions are aligned. Both the Jacobi set itself as well as the segmentation of the domain it induces, have shown to be useful in various applications. In practice, unfortunately, functions often contain noise and discretization artifacts, causing their Jacobi set to become unmanageably large and complex. Although there exist techniques to simplify Jacobi sets, they are unsuitable for most applications as they lack fine-grained control over the process, and heavily restrict the type of simplifications possible.

This paper introduces the theoretical foundations of a new simplification framework for Jacobi sets. We present a new interpretation of Jacobi set simplification based on the perspective of domain segmentation. Generalizing the cancellation of critical points from scalar functions to Jacobi sets, we focus on simplifications that can be realized by smooth approximations of the corresponding functions, and show how these cancellations imply simultaneous simplification of contiguous subsets of the Jacobi set. Using these extended cancellations as atomic operations, we introduce an algorithm to successively cancel subsets of the Jacobi set with minimal modifications to some userdefined metric. We show that for simply connected domains, our algorithm reduces a given Jacobi set to its minimal configuration, that is, one with no birth-death points (a birth-death point is a specific type of singularity within the Jacobi set where the level sets of the two functions and the Jacobi set have a common normal direction).



P. T. Bremer, D. Maljovec, A. Saha, Bei Wang, J. Gaffney, B. K. Spears, V. Pascucci. “ND2AV: N-Dimensional Data Analysis and Visualization -- Analysis for the National Ignition Campaign,” In Computing and Visualization in Science, 2015.

ABSTRACT

One of the biggest challenges in high-energy physics is to analyze a complex mix of experimental and simulation data to gain new insights into the underlying physics. Currently, this analysis relies primarily on the intuition of trained experts often using nothing more sophisticated than default scatter plots. Many advanced analysis techniques are not easily accessible to scientists and not flexible enough to explore the potentially interesting hypotheses in an intuitive manner. Furthermore, results from individual techniques are often difficult to integrate, leading to a confusing patchwork of analysis snippets too cumbersome for data exploration. This paper presents a case study on how a combination of techniques from statistics, machine learning, topology, and visualization can have a significant impact in the field of inertial confinement fusion. We present the ND2AV: N-Dimensional Data Analysis and Visualization framework, a user-friendly tool aimed at exploiting the intuition and current work flow of the target users. The system integrates traditional analysis approaches such as dimension reduction and clustering with state-of-the-art techniques such as neighborhood graphs and topological analysis, and custom capabilities such as defining combined metrics on the fly. All components are linked into an interactive environment that enables an intuitive exploration of a wide variety of hypotheses while relating the results to concepts familiar to the users, such as scatter plots. ND2AV uses a modular design providing easy extensibility and customization for different applications. ND2AV is being actively used in the National Ignition Campaign and has already led to a number of unexpected discoveries.



H. Carr, Z. Geng, J. Tierny, A. Chattophadhyay,, A. Knoll. “Fiber Surfaces: Generalizing Isosurfaces to Bivariate Data,” In Computer Graphics Forum, Vol. 34, No. 3, pp. 241-250. 2015.

ABSTRACT

Scientific visualization has many effective methods for examining and exploring scalar and vector fields, but rather fewer for multi-variate fields. We report the first general purpose approach for the interactive extraction of geometric separating surfaces in bivariate fields. This method is based on fiber surfaces: surfaces constructed from sets of fibers, the multivariate analogues of isolines. We show simple methods for fiber surface definition and extraction. In particular, we show a simple and efficient fiber surface extraction algorithm based on Marching Cubes. We also show how to construct fiber surfaces interactively with geometric primitives in the range of the function. We then extend this to build user interfaces that generate parameterized families of fiber surfaces with respect to arbitrary polylines and polygons. In the special case of isovalue-gradient plots, fiber surfaces capture features geometrically for quantitative analysis that have previously only been analysed visually and qualitatively using multi-dimensional transfer functions in volume rendering. We also demonstrate fiber surface extraction on a variety of bivariate data



CIBC. Note: Data Sets: NCRR Center for Integrative Biomedical Computing (CIBC) data set archive. Download from: http://www.sci.utah.edu/cibc/software.html, 2015.



CIBC. Note: Cleaver: A MultiMaterial Tetrahedral Meshing Library and Application. Scientific Computing and Imaging Institute (SCI), Download from: http://www.sci.utah.edu/cibc/software.html, 2015.



C.C. Conlin, J.L. Zhang, F. Rousset, C. Vachet, Y. Zhao, K.A. Morton, K. Carlston, G. Gerig, V.S. Lee. “Performance of an Efficient Image-registration Algorithm in Processing MR Renography Data,” In J Magnetic Resonance Imaging, July, 2015.
DOI: 10.1002/jmri.25000

ABSTRACT

PURPOSE:
To evaluate the performance of an edge-based registration technique in correcting for respiratory motion artifacts in magnetic resonance renographic (MRR) data and to examine the efficiency of a semiautomatic software package in processing renographic data from a cohort of clinical patients.

MATERIALS AND METHODS:
The developed software incorporates an image-registration algorithm based on the generalized Hough transform of edge maps. It was used to estimate glomerular filtration rate (GFR), renal plasma flow (RPF), and mean transit time (MTT) from 36 patients who underwent free-breathing MRR at 3T using saturation-recovery turbo-FLASH. The processing time required for each patient was recorded. Renal parameter estimates and model-fitting residues from the software were compared to those from a previously reported technique. Interreader variability in the software was quantified by the standard deviation of parameter estimates among three readers. GFR estimates from our software were also compared to a reference standard from nuclear medicine.

RESULTS:
The time taken to process one patient's data with the software averaged 12 ± 4 minutes. The applied image registration effectively reduced motion artifacts in dynamic images by providing renal tracer-retention curves with significantly smaller fitting residues (P < 0.01) than unregistered data or data registered by the previously reported technique. Interreader variability was less than 10% for all parameters. GFR estimates from the proposed method showed greater concordance with reference values (P < 0.05).

CONCLUSION:
These results suggest that the proposed software can process MRR data efficiently and accurately. Its incorporated registration technique based on the generalized Hough transform effectively reduces respiratory motion artifacts in free-breathing renographic acquisitions. J. Magn. Reson. Imaging 2015.



S. Durrleman, T.P. Fletcher, G. Gerig, M. Niethammer, X. Pennec (Eds.). “Spatio-temporal Image Analysis for Longitudinal and Time-Series Image Data,” In Proceedings of the Third International Workshop, STIA 2014, Image Processing, Computer Vision, Pattern Recognition, and Graphics, Vol. 8682, Springer LNCS, 2015.
ISBN: 978-3-319-14905-9

ABSTRACT

This book constitutes the thoroughly refereed post-conference proceedings of the Third
International Workshop on Spatio-temporal Image Analysis for Longitudinal and Time-
Series Image Data, STIA 2014, held in conjunction with MICCAI 2014 in Boston, MA, USA, in
September 2014.

The 7 papers presented in this volume were carefully reviewed and selected from 15
submissions. They are organized in topical sections named: longitudinal registration and
shape modeling, longitudinal modeling, reconstruction from longitudinal data, and 4D
image processing.



J. Edwards, E. Daniel, V. Pascucci, C. Bajaj. “Approximating the Generalized Voronoi Diagram of Closely Spaced Objects,” In Computer Graphics Forum, Vol. 34, No. 2, Wiley-Blackwell, pp. 299-309. May, 2015.
DOI: 10.1111/cgf.12561

ABSTRACT

Generalized Voronoi Diagrams (GVDs) have far-reaching applications in robotics, visualization, graphics, and simulation. However, while the ordinary Voronoi Diagram has mature and efficient algorithms for its computation, the GVD is difficult to compute in general, and in fact, has only approximation algorithms for anything but the simplest of datasets. Our work is focused on developing algorithms to compute the GVD efficiently and with bounded error on the most difficult of datasets -- those with objects that are extremely close to each other.



T. Etiene, R.M. Kirby, C. Silva. “An Introduction to Verification of Visualization Techniques,” Morgan & Claypool Publishers, 2015.



SCI Institute. Note: FluoRender: An interactive rendering tool for confocal microscopy data visualization. Scientific Computing and Imaging Institute (SCI) Download from: http://www.fluorender.org, 2015.