Designed especially for neurobiologists, FluoRender is an interactive tool for multi-channel fluorescence microscopy data visualization and analysis.
Deep brain stimulation
BrainStimulator is a set of networks that are used in SCIRun to perform simulations of brain stimulation such as transcranial direct current stimulation (tDCS) and magnetic transcranial stimulation (TMS).
Developing software tools for science has always been a central vision of the SCI Institute.

SCI Publications

2019


A. Gyulassy, P.-T. Bremer, V. Pascucci. “Shared-Memory Parallel Computation of Morse-Smale Complexes with Improved Accuracy,” In IEEE Transactions on Visualization and Computer Graphics, Vol. 25, No. 1, IEEE, pp. 1183--1192. Jan, 2019.
DOI: 10.1109/tvcg.2018.2864848

ABSTRACT

Topological techniques have proven to be a powerful tool in the analysis and visualization of large-scale scientific data. In particular, the Morse-Smale complex and its various components provide a rich framework for robust feature definition and computation. Consequently, there now exist a number of approaches to compute Morse-Smale complexes for large-scale data in parallel. However, existing techniques are based on discrete concepts which produce the correct topological structure but are known to introduce grid artifacts in the resulting geometry. Here, we present a new approach that combines parallel streamline computation with combinatorial methods to construct a high-quality discrete Morse-Smale complex. In addition to being invariant to the orientation of the underlying grid, this algorithm allows users to selectively build a subset of features using high-quality geometry. In particular, a user may specifically select which ascending/descending manifolds are reconstructed with improved accuracy, focusing computational effort where it matters for subsequent analysis. This approach computes Morse-Smale complexes for larger data than previously feasible with significant speedups. We demonstrate and validate our approach using several examples from a variety of different scientific domains, and evaluate the performance of our method.


2018


S. Petruzza, A. Gyulassy, V. Pascucci,, P. T. Bremer. “A Task-Based Abstraction Layer for User Productivity and Performance Portability in Post-Moore’s Era Supercomputing,” In 3RD INTERNATIONAL WORKSHOP ON POST-MOORE’S ERA SUPERCOMPUTING (PMES), 2018.

ABSTRACT

The proliferation of heterogeneous computing architectures in current and future supercomputing systems dramatically increases the complexity of software development and exacerbates the divergence of software stacks. Currently, task-based runtimes attempt to alleviate these impediments, however their effective use requires expertise and deep integration that does not facilitate reuse and portability. We propose to introduce a task-based abstraction layer that separates the definition of the algorithm from the runtime-specific implementation, while maintaining performance portability.



S. Petruzza, A. Gyulassy, V. Pascucci,, P. T. Bremer. “A Task-Based Abstraction Layer for User Productivity and Performance Portability in Post-Moore’s Era Supercomputing,” In 3RD INTERNATIONAL WORKSHOP ON POST-MOORE’S ERA SUPERCOMPUTING (PMES), 2018.

ABSTRACT

The proliferation of heterogeneous computing architectures in current and future supercomputing systems dramatically increases the complexity of software development and exacerbates the divergence of software stacks. Currently, task-based runtimes attempt to alleviate these impediments, however their effective use requires expertise and deep integration that does not facilitate reuse and portability. We propose to introduce a task-based abstraction layer that separates the definition of the algorithm from the runtime-specific implementation, while maintaining performance portability.


2017


S. Petruzza, A. Venkat, A. Gyulassy, G. Scorzelli, F. Federer, A. Angelucci, V. Pascucci, P. T. Bremer. “ISAVS: Interactive Scalable Analysis and Visualization System,” In ACM SIGGRAPH Asia 2017 Symposium on Visualization, ACM Press, 2017.
DOI: 10.1145/3139295.3139299

ABSTRACT

Modern science is inundated with ever increasing data sizes as computational capabilities and image acquisition techniques continue to improve. For example, simulations are tackling ever larger domains with higher fidelity, and high-throughput microscopy techniques generate larger data that are fundamental to gather biologically and medically relevant insights. As the image sizes exceed memory, and even sometimes local disk space, each step in a scientific workflow is impacted. Current software solutions enable data exploration with limited interactivity for visualization and analytic tasks. Furthermore analysis on HPC systems often require complex hand-written parallel implementations of algorithms that suffer from poor portability and maintainability. We present a software infrastructure that simplifies end-to-end visualization and analysis of massive data. First, a hierarchical streaming data access layer enables interactive exploration of remote data, with fast data fetching to test analytics on subsets of the data. Second, a library simplifies the process of developing new analytics algorithms, allowing users to rapidly prototype new approaches and deploy them in an HPC setting. Third, a scalable runtime system automates mapping analysis algorithms to whatever computational hardware is available, reducing the complexity of developing scaling algorithms. We demonstrate the usability and performance of our system using a use case from neuroscience: filtering, registration, and visualization of tera-scale microscopy data. We evaluate the performance of our system using a leadership-class supercomputer, Shaheen II.


2015


A. Gyulassy, A. Knoll, K. C. Lau, Bei Wang, P. T. Bremer, M. E. Papka, L. A. Curtiss, V. Pascucci. “Morse-Smale Analysis of Ion Diffusion for DFT Battery Materials Simulations,” In Topology-Based Methods in Visualization (TopoInVis), 2015.

ABSTRACT

Ab initio molecular dynamics (AIMD) simulations are increasingly useful in modeling, optimizing and synthesizing materials in energy sciences. In solving Schrodinger's equation, they generate the electronic structure of the simulated atoms as a scalar field. However, methods for analyzing these volume data are not yet common in molecular visualization. The Morse-Smale complex is a proven, versatile tool for topological analysis of scalar fields. In this paper, we apply the discrete Morse-Smale complex to analysis of first-principles battery materials simulations. We consider a carbon nanosphere structure used in battery materials research, and employ Morse-Smale decomposition to determine the possible lithium ion diffusion paths within that structure. Our approach is novel in that it uses the wavefunction itself as opposed distance fields, and that we analyze the 1-skeleton of the Morse-Smale complex to reconstruct our diffusion paths. Furthermore, it is the first application where specific motifs in the graph structure of the complete 1-skeleton define features, namely carbon rings with specific valence. We compare our analysis of DFT data with that of a distance field approximation, and discuss implications on larger classical molecular dynamics simulations.



A. Gyulassy, A. Knoll, K. C. Lau, Bei Wang, PT. Bremer, M.l E. Papka, L. A. Curtiss, V. Pascucci. “Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials,” In Proceedings IEEE Visualization Conference, 2015.

ABSTRACT

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.


2014


H. Bhatia, A. Gyulassy, H. Wang, P.-T. Bremer, V. Pascucci . “Robust Detection of Singularities in Vector Fields,” In Topological Methods in Data Analysis and Visualization III, Mathematics and Visualization, Springer International Publishing, pp. 3--18. March, 2014.
DOI: 10.1007/978-3-319-04099-8_1

ABSTRACT

Recent advances in computational science enable the creation of massive datasets of ever increasing resolution and complexity. Dealing effectively with such data requires new analysis techniques that are provably robust and that generate reproducible results on any machine. In this context, combinatorial methods become particularly attractive, as they are not sensitive to numerical instabilities or the details of a particular implementation. We introduce a robust method for detecting singularities in vector fields. We establish, in combinatorial terms, necessary and sufficient conditions for the existence of a critical point in a cell of a simplicial mesh for a large class of interpolation functions. These conditions are entirely local and lead to a provably consistent and practical algorithm to identify cells containing singularities.



A.G. Landge, V. Pascucci, A. Gyulassy, J.C. Bennett, H. Kolla, J. Chen, P.-T. Bremer. “In-situ feature extraction of large scale combustion simulations using segmented merge trees,” In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC 2014), New Orleans, Louisana, IEEE Press, Piscataway, NJ, USA pp. 1020--1031. 2014.
ISBN: 978-1-4799-5500-8
DOI: 10.1109/SC.2014.88

ABSTRACT

The ever increasing amount of data generated by scientific simulations coupled with system I/O constraints are fueling a need for in-situ analysis techniques. Of particular interest are approaches that produce reduced data representations while maintaining the ability to redefine, extract, and study features in a post-process to obtain scientific insights.

This paper presents two variants of in-situ feature extraction techniques using segmented merge trees, which encode a wide range of threshold based features. The first approach is a fast, low communication cost technique that generates an exact solution but has limited scalability. The second is a scalable, local approximation that nevertheless is guaranteed to correctly extract all features up to a predefined size. We demonstrate both variants using some of the largest combustion simulations available on leadership class supercomputers. Our approach allows state-of-the-art, feature-based analysis to be performed in-situ at significantly higher frequency than currently possible and with negligible impact on the overall simulation runtime.


2013


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.
ISBN: 978-1-4503-2378-9
DOI: 10.1145/2503210.2503303

ABSTRACT

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.

Keywords: SDAV



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.

ABSTRACT

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


2012


J.C. Bennett, H. Abbasi, P. Bremer, R.W. Grout, A. Gyulassy, T. Jin, S. Klasky, H. Kolla, M. Parashar, V. Pascucci, P. Pbay, D. Thompson, H. Yu, F. Zhang, J. Chen. “Combining In-Situ and In-Transit Processing to Enable Extreme-Scale Scientific Analysis,” In ACM/IEEE International Conference for High Performance Computing, Networking, Storage, and Analysis (SC), Salt Lake City, Utah, U.S.A., November, 2012.

ABSTRACT

With the onset of extreme-scale computing, I/O constraints make it increasingly difficult for scientists to save a sufficient amount of raw simulation data to persistent storage. One potential solution is to change the data analysis pipeline from a post-process centric to a concurrent approach based on either in-situ or in-transit processing. In this context computations are considered in-situ if they utilize the primary compute resources, while in-transit processing refers to offloading computations to a set of secondary resources using asynchronous data transfers. In this paper we explore the design and implementation of three common analysis techniques typically performed on large-scale scientific simulations: topological analysis, descriptive statistics, and visualization. We summarize algorithmic developments, describe a resource scheduling system to coordinate the execution of various analysis workflows, and discuss our implementation using the DataSpaces and ADIOS frameworks that support efficient data movement between in-situ and in-transit computations. We demonstrate the efficiency of our lightweight, flexible framework by deploying it on the Jaguar XK6 to analyze data generated by S3D, a massively parallel turbulent combustion code. Our framework allows scientists dealing with the data deluge at extreme scale to perform analyses at increased temporal resolutions, mitigate I/O costs, and significantly improve the time to insight.



A. Gyulassy, V. Pascucci, T. Peterka, R. Ross. “The Parallel Computation of Morse-Smale Complexes,” In Proceedings of the Parallel and Distributed Processing Symposium (IPDPS), pp. 484--495. 2012.
DOI: 10.1109/IPDPS.2012.52

ABSTRACT

Topology-based techniques are useful for multiscale exploration of the feature space of scalar-valued functions, such as those derived from the output of large-scale simulations. The Morse-Smale (MS) complex, in particular, allows robust identification of gradient-based features, and therefore is suitable for analysis tasks in a wide range of application domains. In this paper, we develop a two-stage algorithm to construct the 1-skeleton of the Morse-Smale complex in parallel, the first stage independently computing local features per block and the second stage merging to resolve global features. Our implementation is based on MPI and a distributed-memory architecture. Through a set of scalability studies on the IBM Blue Gene/P supercomputer, we characterize the performance of the algorithm as block sizes, process counts, merging strategy, and levels of topological simplification are varied, for datasets that vary in feature composition and size. We conclude with a strong scaling study using scientific datasets computed by combustion and hydrodynamics simulations.



A. Gyulassy, P.-T. Bremer, V. Pascucci. “Computing Morse-Smale Complexes with Accurate Geometry,” In IEEE Transactions on Visualization and Computer Graphics, Vol. 18, No. 12, pp. 2014--2022. 2012.
DOI: 10.1109/TVCG.2011.272

ABSTRACT

Topological techniques have proven highly successful in analyzing and visualizing scientific data. As a result, significant efforts have been made to compute structures like the Morse-Smale complex as robustly and efficiently as possible. However, the resulting algorithms, while topologically consistent, often produce incorrect connectivity as well as poor geometry. These problems may compromise or even invalidate any subsequent analysis. Moreover, such techniques may fail to improve even when the resolution of the domain mesh is increased, thus producing potentially incorrect results even for highly resolved functions. To address these problems we introduce two new algorithms: (i) a randomized algorithm to compute the discrete gradient of a scalar field that converges under refinement; and (ii) a deterministic variant which directly computes accurate geometry and thus correct connectivity of the MS complex. The first algorithm converges in the sense that on average it produces the correct result and its standard deviation approaches zero with increasing mesh resolution. The second algorithm uses two ordered traversals of the function to integrate the probabilities of the first to extract correct (near optimal) geometry and connectivity. We present an extensive empirical study using both synthetic and real-world data and demonstrates the advantages of our algorithms in comparison with several popular approaches.



A. Gyulassy, N. Kotava, M. Kim, C. Hansen, H. Hagen, and V. Pascucci. “Direct Feature Visualization Using Morse-Smale Complexes,” In IEEE Transactions on Visualization and Computer Graphics, Vol. 18, No. 9, pp. 1549--1562. September, 2012.
DOI: 10.1109/TVCG.2011.272

ABSTRACT

In this paper, we characterize the range of features that can be extracted from an Morse-Smale complex and describe a unified query language to extract them. We provide a visual dictionary to guide users when defining features in terms of these queries. We demonstrate our topology-rich visualization pipeline in a tool that interactively queries the MS complex to extract features at multiple resolutions, assigns rendering attributes, and combines traditional volume visualization with the extracted features. The flexibility and power of this approach is illustrated with examples showing novel features.



V. Pascucci, G. Scorzelli, B. Summa, P.-T. Bremer, A. Gyulassy, C. Christensen, S. Philip, S. Kumar. “The ViSUS Visualization Framework,” In High Performance Visualization: Enabling Extreme-Scale Scientific Insight, Chapman and Hall/CRC Computational Science, Ch. 19, Edited by E. Wes Bethel and Hank Childs (LBNL) and Charles Hansen (UofU), Chapman and Hall/CRC, 2012.

ABSTRACT

The ViSUS software framework was designed with the primary philosophy that the visualization of massive data need not be tied to specialized hardware or infrastructure. In other words, a visualization environment for large data can be designed to be lightweight, highly scalable and run on a variety of plat- forms or hardware. Moreover, if designed generally such an infrastructure can have a wide variety of applications, all from the same code base. Figure 19.1 details example applications and the major components of the ViSUS infrastructure. The components can be grouped into three major categories. First, a lightweight and fast out-of-core data management framework using multi- resolution space filling curves. This allows the organization of information in an order that exploits the cache hierarchies of any modern data storage architectures. Second, a data flow framework that allows data to be processed during movement. Processing massive datasets in their entirety would be a long and expensive operation which hinders interactive exploration. By designing new algorithms to fit within this framework, data can be processed as it moves. Third, a portable visualization layer which was designed to scale from mobile devices to powerwall displays with same code base. In this chapter we will describe the ViSUS infrastructure, as well as give practical examples of its use in real world applications.


2011


T. Peterka, R. Ross, A. Gyulassy, V. Pascucci, W. Kendall, H.-W. Shen, T.-Y. Lee, A. Chaudhuri. “Scalable Parallel Building Blocks for Custom Data Analysis,” In Proceedings of the 2011 IEEE Symposium on Large-Scale Data Analysis and Visualization (LDAV), pp. 105--112. October, 2011.
DOI: 10.1109/LDAV.2011.6092324

ABSTRACT

We present a set of building blocks that provide scalable data movement capability to computational scientists and visualization researchers for writing their own parallel analysis. The set includes scalable tools for domain decomposition, process assignment, parallel I/O, global reduction, and local neighborhood communicationtasks that are common across many analysis applications. The global reduction is performed with a new algorithm, described in this paper, that efficiently merges blocks of analysis results into a smaller number of larger blocks. The merging is configurable in the number of blocks that are reduced in each round, the number of rounds, and the total number of resulting blocks. We highlight the use of our library in two analysis applications: parallel streamline generation and parallel Morse-Smale topological analysis. The first case uses an existing local neighborhood communication algorithm, whereas the latter uses the new merge algorithm.



D. Thompson, J.A. Levine, J.C. Bennett, P.-T. Bremer, A. Gyulassy, V. Pascucci, P.P. Pebay. “Analysis of Large-Scale Scalar Data Using Hixels,” In Proceedings of the 2011 IEEE Symposium on Large-Scale Data Analysis and Visualization (LDAV), Providence, RI, pp. 23--30. 2011.
DOI: 10.1109/LDAV.2011.6092313


2009


J. Tierny, A. Gyulassy, E. Simon, V. Pascucci. “Loop Surgery for Volumetric Meshes: Reeb Graphs Reduced to Contour Trees,” In IEEE Transactions on Visualization and Computer Graphics, Proceedings of the 2009 IEEE Visualization Conference, Vol. 15, No. 6, pp. 1177--1184. Sept/Oct, 2009.
DOI: 10.1109/TVCG.2009.163


2007


P.-T. Bremer, E.M. Bringa, M.A. Duchaineau, A. Gyulassy, D. Laney, A. Mascarenhas, V. Pascucci. “Topological Feature Extraction and Tracking,” In Proceedings of SciDAC 2007 -- Scientific Discovery Through Advanced Computing, Boston, MA, USA, Vol. 78, Journal of Physics Conference Series, pp. 012032 (5pp). June, 2007.



A. Gyulassy, V. Natarajan, B. Hamann, V. Pascucci. “Efficient Computation of Morse-Smale Complexes for Three-dimensional Scalar Functions,” In IEEE Transactions on Visualization and Computer Graphics, Note: (presented at IEEE VIS 2007), 2007.