Exploratory topic modeling with distributional semantics

As we continue to collect and store textual data in a multitude of domains, we are regularly confronted with material whose largely unknown thematic structure we want to uncover. With unsupervised, exploratory analysis, no prior knowledge about the content is required and highly open-ended tasks can be supported. In the past few years, probabilistic topic modeling has emerged as a popular approach to this problem. Nevertheless, the representation of the latent topics as aggregations of semi-coherent terms limits their interpretability and level of detail. This paper presents an alternative approach to topic modeling that maps topics as a network for exploration, based on distributional semantics using learned word vectors. From the granular level of terms and their semantic similarity relations global topic structures emerge as clustered regions and gradients of concepts. Moreover, the paper discusses the visual interactive representation of the topic map, which plays an important role in supporting its exploration.Comment: Conference: The Fourteenth International Symposium on Intelligent Data Analysis (IDA 2015

Research and Education in Computational Science and Engineering

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.Comment: Major revision, to appear in SIAM Revie

Graphs, Matrices, and the GraphBLAS: Seven Good Reasons

The analysis of graphs has become increasingly important to a wide range of applications. Graph analysis presents a number of unique challenges in the areas of (1) software complexity, (2) data complexity, (3) security, (4) mathematical complexity, (5) theoretical analysis, (6) serial performance, and (7) parallel performance. Implementing graph algorithms using matrix-based approaches provides a number of promising solutions to these challenges. The GraphBLAS standard (istc- bigdata.org/GraphBlas) is being developed to bring the potential of matrix based graph algorithms to the broadest possible audience. The GraphBLAS mathematically defines a core set of matrix-based graph operations that can be used to implement a wide class of graph algorithms in a wide range of programming environments. This paper provides an introduction to the GraphBLAS and describes how the GraphBLAS can be used to address many of the challenges associated with analysis of graphs.Comment: 10 pages; International Conference on Computational Science workshop on the Applications of Matrix Computational Methods in the Analysis of Modern Dat

The OTree: multidimensional indexing with efficient data sampling for HPC

Spatial big data is considered an essential trend in future scientific and business applications. Indeed, research instruments, medical devices, and social networks generate hundreds of petabytes of spatial data per year. However, many authors have pointed out that the lack of specialized frameworks for multidimensional Big Data is limiting possible applications and precluding many scientific breakthroughs. Paramount in achieving High-Performance Data Analytics is to optimize and reduce the I/O operations required to analyze large data sets. To do so, we need to organize and index the data according to its multidimensional attributes. At the same time, to enable fast and interactive exploratory analysis, it is vital to generate approximate representations of large datasets efficiently. In this paper, we propose the Outlook Tree (or OTree), a novel Multidimensional Indexing with efficient data Sampling (MIS) algorithm. The OTree enables exploratory analysis of large multidimensional datasets with arbitrary precision, a vital missing feature in current distributed data management solutions. Our algorithm reduces the indexing overhead and achieves high performance even for write-intensive HPC applications. Indeed, we use the OTree to store the scientific results of a study on the efficiency of drug inhalers. Then we compare the OTree implementation on Apache Cassandra, named Qbeast, with PostgreSQL and plain storage. Lastly, we demonstrate that our proposal delivers better performance and scalability.Peer ReviewedPostprint (author's final draft

NNVA: Neural Network Assisted Visual Analysis of Yeast Cell Polarization Simulation

Complex computational models are often designed to simulate real-world physical phenomena in many scientific disciplines. However, these simulation models tend to be computationally very expensive and involve a large number of simulation input parameters which need to be analyzed and properly calibrated before the models can be applied for real scientific studies. We propose a visual analysis system to facilitate interactive exploratory analysis of high-dimensional input parameter space for a complex yeast cell polarization simulation. The proposed system can assist the computational biologists, who designed the simulation model, to visually calibrate the input parameters by modifying the parameter values and immediately visualizing the predicted simulation outcome without having the need to run the original expensive simulation for every instance. Our proposed visual analysis system is driven by a trained neural network-based surrogate model as the backend analysis framework. Surrogate models are widely used in the field of simulation sciences to efficiently analyze computationally expensive simulation models. In this work, we demonstrate the advantage of using neural networks as surrogate models for visual analysis by incorporating some of the recent advances in the field of uncertainty quantification, interpretability and explainability of neural network-based models. We utilize the trained network to perform interactive parameter sensitivity analysis of the original simulation at multiple levels-of-detail as well as recommend optimal parameter configurations using the activation maximization framework of neural networks. We also facilitate detail analysis of the trained network to extract useful insights about the simulation model, learned by the network, during the training process.Comment: Published at IEEE Transactions on Visualization and Computer Graphic

A visual Analytics System for Optimizing Communications in Massively Parallel Applications

Current and future supercomputers have tens of thousands of compute nodes interconnected with high-dimensional networks and complex network topologies for improved performance. Application developers are required to write scalable parallel programs in order to achieve high throughput on these machines. Application performance is largely determined by efficient inter-process communication. A common way to analyze and optimize performance is through profiling parallel codes to identify communication bottlenecks. However, understanding gigabytes of profile data is not a trivial task. In this paper, we present a visual analytics system for identifying the scalability bottlenecks and improving the communication efficiency of massively parallel applications. Visualization methods used in this system are designed to comprehend large-scale and varied communication patterns on thousands of nodes in complex networks such as the 5D torus and the dragonfly. We also present efficient rerouting and remapping algorithms that can be coupled with our interactive visual analytics design for performance optimization. We demonstrate the utility of our system with several case studies using three benchmark applications on two leading supercomputers. The mapping suggestion from our system led to 38% improvement in hop-bytes for MiniAMR application on 4,096 MPI processes.This research has been sponsored in part by the U.S. National Science Foundation through grant IIS-1320229, and the U.S. Department of Energy through grants DE-SC0012610 and DE-SC0014917. This research has been funded in part and used resources of the Argonne Leadership Computing Facility at Argonne National Lab- oratory, which is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-06CH11357. This work was supported in part by the DOE Office of Science, ASCR, under award numbers 57L38, 57L32, 57L11, 57K50, and 508050