D. Mandelli, C. Smith, T. Riley, J. Nielsen, J. Schroeder, C. Rabiti, A. Alfonsi, J. Cogliati, R. Kinoshita, V. Pascucci, Bei Wang, D. Maljovec. Overview of New Tools to Perform Safety Analysis: BWR Station Black Out Test Case, In Proceedings of the Probabilistic Safety Assessment & Management conference (PSAM), 2014.
P. Skraba, Bei Wang, G. Chen, P. Rosen. 2D Vector Field Simplification Based on Robustness, In Proceedings of the 2014 IEEE Pacific Visualization Symposium, PacificVis, Note: Awarded Best Paper!, 2014.
Keywords: vector field, topology-based techniques, flow visualization
B. Summa, A.A. Gooch, G. Scorzelli, V. Pascucci. Towards Paint and Click: Unified Interactions for Image Boundaries, SCI Technical Report, No. UUSCI-2014-004, SCI Institute, University of Utah, December, 2014.
W. Widanagamaachchi, P.-T. Bremer, C. Sewell, L.-T. Lo; J. Ahrens, V. Pascucci. Data-Parallel Halo Finding with Variable Linking Lengths, In Proceedings of the 2014 IEEE 4th Symposium on Large Data Analysis and Visualization (LDAV), pp. 27--34. November, 2014.
H. Bhatia, G. Norgard, V. Pascucci, P.-T. Bremer. The Helmholtz-Hodge Decomposition - A Survey, In IEEE Transactions on Visualization and Computer Graphics (TVCG), Vol. 19, No. 8, Note: Selected as Spotlight paper for August 2013 issue, pp. 1386--1404. 2013.
H. Bhatia, G. Norgard, V. Pascucci, P.-T. Bremer. Comments on the “Meshless Helmholtz-Hodge decomposition”, In IEEE Transactions on Visualization and Computer Graphics, Vol. 19, No. 3, pp. 527--528. 2013.
The Helmholtz-Hodge decomposition (HHD) is one of the fundamental theorems of fluids describing the decomposition of a flow field into its divergence-free, curl-free and harmonic components. Solving for an HDD is intimately connected to the choice of boundary conditions which determine the uniqueness and orthogonality of the decomposition. This article points out that one of the boundary conditions used in a recent paper \"Meshless Helmholtz-Hodge decomposition\"  is, in general, invalid and provides an analytical example demonstrating the problem. We hope that this clarification on the theory will foster further research in this area and prevent undue problems in applying and extending the original approach.
F. Chen, H. Obermaier, H. Hagen, B. Hamann, J. Tierny, V. Pascucci. Topology analysis of time-dependent multi-fluid data using the Reeb graph, In Computer Aided Geometric Design, Vol. 30, No. 6, pp. 557--566. 2013.
Keywords: Multi-phase fluid, Level set, Topology method, Point-based multi-fluid simulation
M. Gamell, I. Rodero, M. Parashar, J.C. Bennett, H. Kolla, J.H. Chen, P.-T. Bremer, A. Landge, A. Gyulassy, P. McCormick, Scott Pakin, Valerio Pascucci, Scott Klasky. Exploring Power Behaviors and Trade-offs of In-situ Data Analytics, In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, Association for Computing Machinery, 2013.
As scientific applications target exascale, challenges related to data and energy are becoming dominating concerns. For example, coupled simulation workflows are increasingly adopting in-situ data processing and analysis techniques to address costs and overheads due to data movement and I/O. However it is also critical to understand these overheads and associated trade-offs from an energy perspective. The goal of this paper is exploring data-related energy/performance trade-offs for end-to-end simulation workflows running at scale on current high-end computing systems. Specifically, this paper presents: (1) an analysis of the data-related behaviors of a combustion simulation workflow with an in-situ data analytics pipeline, running on the Titan system at ORNL; (2) a power model based on system power and data exchange patterns, which is empirically validated; and (3) the use of the model to characterize the energy behavior of the workflow and to explore energy/performance trade-offs on current as well as emerging systems.
S. Gerber, O. Reubel, P.-T. Bremer, V. Pascucci, R.T. Whitaker. Morse-Smale Regression, In Journal of Computational and Graphical Statistics, Vol. 22, No. 1, pp. 193--214. 2013.
M. Hall, R.M. Kirby, F. Li, M.D. Meyer, V. Pascucci, J.M. Phillips, R. Ricci, J. Van der Merwe, S. Venkatasubramanian. Rethinking Abstractions for Big Data: Why, Where, How, and What, In Cornell University Library, 2013.
Big data refers to large and complex data sets that, under existing approaches, exceed the capacity and capability of current compute platforms, systems software, analytical tools and human understanding . Numerous lessons on the scalability of big data can already be found in asymptotic analysis of algorithms and from the high-performance computing (HPC) and applications communities. However, scale is only one aspect of current big data trends; fundamentally, current and emerging problems in big data are a result of unprecedented complexity |in the structure of the data and how to analyze it, in dealing with unreliability and redundancy, in addressing the human factors of comprehending complex data sets, in formulating meaningful analyses, and in managing the dense, power-hungry data centers that house big data.
The computer science solution to complexity is finding the right abstractions, those that hide as much triviality as possible while revealing the essence of the problem that is being addressed. The "big data challenge" has disrupted computer science by stressing to the very limits the familiar abstractions which define the relevant subfields in data analysis, data management and the underlying parallel systems. Efficient processing of big data has shifted systems towards increasingly heterogeneous and specialized units, with resilience and energy becoming important considerations. The design and analysis of algorithms must now incorporate emerging costs in communicating data driven by IO costs, distributed data, and the growing energy cost of these operations. Data analysis representations as structural patterns and visualizations surpass human visual bandwidth, structures studied at small scale are rare at large scale, and large-scale high-dimensional phenomena cannot be reproduced at small scale.
As a result, not enough of these challenges are revealed by isolating abstractions in a traditional soft-ware stack or standard algorithmic and analytical techniques, and attempts to address complexity either oversimplify or require low-level management of details. The authors believe that the abstractions for big data need to be rethought, and this reorganization needs to evolve and be sustained through continued cross-disciplinary collaboration.
In what follows, we first consider the question of why big data and why now. We then describe the where (big data systems), the how (big data algorithms), and the what (big data analytics) challenges that we believe are central and must be addressed as the research community develops these new abstractions. We equate the biggest challenges that span these areas of big data with big mythological creatures, namely cyclops, that should be conquered.
A. Knoll, I. Wald, P. Navratil, M. E Papka,, K. P Gaither. Ray Tracing and Volume Rendering Large Molecular Data on Multi-core and Many-core Architectures., In Proc. 8th International Workshop on Ultrascale Visualization at SC13 (Ultravis), 2013, 2013.
S. Kumar, A. Saha, V. Vishwanath, P. Carns, J.A. Schmidt, G. Scorzelli, H. Kolla, R. Grout, R. Latham, R. Ross, M.E. Papka, J. Chen, V. Pascucci. Characterization and modeling of PIDX parallel I/O for performance optimization, In Proceedings of SC13: International Conference for High Performance Computing, Networking, Storage and Analysis, pp. 67. 2013.
Parallel I/O library performance can vary greatly in response to user-tunable parameter values such as aggregator count, file count, and aggregation strategy. Unfortunately, manual selection of these values is time consuming and dependent on characteristics of the target machine, the underlying file system, and the dataset itself. Some characteristics, such as the amount of memory per core, can also impose hard constraints on the range of viable parameter values. In this work we address these problems by using machine learning techniques to model the performance of the PIDX parallel I/O library and select appropriate tunable parameter values. We characterize both the network and I/O phases of PIDX on a Cray XE6 as well as an IBM Blue Gene/P system. We use the results of this study to develop a machine learning model for parameter space exploration and performance prediction.
Keywords: I/O, Network Characterization, Performance Modeling
D. Maljovec, Bei Wang, V. Pascucci, P.-T. Bremer, M.Pernice, D. Mandelli, R. Nourgaliev. Exploration of High-Dimensional Scalar Function for Nuclear Reactor Safety Analysis and Visualization, In Proceedings of the 2013 International Conference on Mathematics and Computational Methods Applied to Nuclear Science & Engineering (M&C), pp. 712-723. 2013.
Keywords: high-dimensional data analysis, computational topology, nuclear reactor safety analysis, visualization
D. Maljovec, Bei Wang, D. Mandelli, P.-T. Bremer, V. Pascucci. Adaptive Sampling Algorithms for Probabilistic Risk Assessment of Nuclear Simulations, In Proceedings of the 2013 International Topical Meeting on Probabilistic Safety Assessment and Analysis (PSA 2013), Note: First runner-up for Best Student Paper Award, 2013.
Nuclear simulations are often computationally expensive, time-consuming, and high-dimensional with respect to the number of input parameters. Thus exploring the space of all possible simulation outcomes is infeasible using finite computing resources. During simulation-based probabilistic risk analysis, it is important to discover the relationship between a potentially large number of input parameters and the output of a simulation using as few simulation trials as possible. This is a typical context for performing adaptive sampling where a few observations are obtained from the simulation, a surrogate model is built to represent the simulation space, and new samples are selected based on the model constructed. The surrogate model is then updated based on the simulation results of the sampled points. In this way, we attempt to gain the most information possible with a small number of carefully selected sampled points, limiting the number of expensive trials needed to understand features of the simulation space.
We analyze the specific use case of identifying the limit surface, i.e., the boundaries in the simulation space between system failure and system success. In this study, we explore several techniques for adaptively sampling the parameter space in order to reconstruct the limit surface. We focus on several adaptive sampling schemes. First, we seek to learn a global model of the entire simulation space using prediction models or neighborhood graphs and extract the limit surface as an iso-surface of the global model. Second, we estimate the limit surface by sampling in the neighborhood of the current estimate based on topological segmentations obtained locally.
Our techniques draw inspirations from topological structure known as the Morse-Smale complex. We highlight the advantages and disadvantages of using a global prediction model versus local topological view of the simulation space, comparing several different strategies for adaptive sampling in both contexts. One of the most interesting models we propose attempt to marry the two by obtaining a coarse global representation using prediction models, and a detailed local representation based on topology. Our methods are validated on several analytical test functions as well as a small nuclear simulation dataset modeled after a simplified Pressurized Water Reactor.
Keywords: high-dimensional data analysis, computational topology, nuclear reactor safety analysis, visualization
D. Maljovec, Bei Wang, D. Mandelli, P.-T. Bremer, V. Pascucci. Analyze Dynamic Probabilistic Risk Assessment Data through Clustering, In Proceedings of the 2013 International Topical Meeting on Probabilistic Safety Assessment and Analysis (PSA 2013), 2013.
D. Maljovec, Bei Wang, A. Kupresanin, G. Johannesson, V. Pascucci, P.-T. Bremer. Adaptive Sampling with Topological Scores, In Int. J. Uncertainty Quantification, Vol. 3, No. 2, Begell House, pp. 119--141. 2013.
Understanding and describing expensive black box functions such as physical simulations is a common problem in many application areas. One example is the recent interest in uncertainty quantification with the goal of discovering the relationship between a potentially large number of input parameters and the output of a simulation. Typically, the simulation of interest is expensive to evaluate and thus the sampling of the parameter space is necessarily small. As a result choosing a "good" set of samples at which to evaluate is crucial to glean as much information as possible from the fewest samples. While space-filling sampling designs such as Latin hypercubes provide a good initial cover of the entire domain, more detailed studies typically rely on adaptive sampling: Given an initial set of samples, these techniques construct a surrogate model and use it to evaluate a scoring function which aims to predict the expected gain from evaluating a potential new sample. There exist a large number of different surrogate models as well as different scoring functions each with their own advantages and disadvantages. In this paper we present an extensive comparative study of adaptive sampling using four popular regression models combined with six traditional scoring functions compared against a space-filling design. Furthermore, for a single high-dimensional output function, we introduce a new class of scoring functions based on global topological rather than local geometric information. The new scoring functions are competitive in terms of the root mean squared prediction error but are expected to better recover the global topological structure. Our experiments suggest that the most common point of failure of adaptive sampling schemes are ill-suited regression models. Nevertheless, even given well-fitted surrogate models many scoring functions fail to outperform a space-filling design.
V. Pascucci, P.-T. Bremer, A. Gyulassy, G. Scorzelli, C. Christensen, B. Summa, S. Kumar. Scalable Visualization and Interactive Analysis Using Massive Data Streams, In Cloud Computing and Big Data, Advances in Parallel Computing, Vol. 23, IOS Press, pp. 212--230. 2013.
Historically, data creation and storage has always outpaced the infrastructure for its movement and utilization. This trend is increasing now more than ever, with the ever growing size of scientific simulations, increased resolution of sensors, and large mosaic images. Effective exploration of massive scientific models demands the combination of data management, analysis, and visualization techniques, working together in an interactive setting. The ViSUS application framework has been designed as an environment that allows the interactive exploration and analysis of massive scientific models in a cache-oblivious, hardware-agnostic manner, enabling processing and visualization of possibly geographically distributed data using many kinds of devices and platforms.
For general purpose feature segmentation and exploration we discuss a new paradigm based on topological analysis. This approach enables the extraction of summaries of features present in the data through abstract models that are orders of magnitude smaller than the raw data, providing enough information to support general queries and perform a wide range of analyses without access to the original data.
Keywords: Visualization, data analysis, topological data analysis, Parallel I/O
S. Philip, B. Summa, J. Tierny, P.-T. Bremer, V. Pascucci. Scalable Seams for Gigapixel Panoramas, In Proceedings of the 2013 Eurographics Symposium on Parallel Graphics and Visualization, Note: Awarded Best Paper!, pp. 25--32. 2013.
A. Rungta, B. Summa, D. Demir, P.-T. Bremer, V. Pascucci. ManyVis: Multiple Applications in an Integrated Visualization Environment, In IEEE Transactions on Visualization and Computer Graphics (TVCG), Vol. 19, No. 12, pp. 2878--2885. December, 2013.