• Indiana University
  • Saliya Ekanayake, Supun Kamburugamuve, Pulasthi Wickramasinghe, Geoffrey C. Fox

Machine learning is a set of high-performance multidimensional scaling and clustering applications targeted for HPC environments.

Users’ guide (work in progress) is available at

The following codes are available at:


  • Stony Brook University/Emory University
  • co-PI: Fusheng Wang

Support of high performance queries and analytics on large volumes of spatial data has become increasingly important in many application domains, including geospatial problems in numerous disciplines, location based services, and emerging medical imaging applications. There are two major challenges for managing and analyzing massive spatial data: the explosion of spatial data, and the high computational complexity of spatial data processing. Our goal is to develop a general library to support high performance spatial queries and analytics for both 2D and 3D spatial big data that can be fully integrated into MIDAS middleware to take advantage of various big data platforms.


  • Rutgers University
  • co-PI: Shantenu Jha

As part of the SPIDAL Project, the RADICAL team at Rutgers is developing a MIddleware for Data-intensive Analysis and Science (MIDAS) to support the wide range of applications and analytics algorithms that SPIDAL must support. These application and analytics algorithms must execute efficiently on current and future generation supercomputers and cloud platforms, yet must not be bound too tightly to a specific platform. Given the rapid changes in the infrastructure and platforms, performance must not come at the cost of portability, extensibility and flexibility. On the other hand the complexity and overhead of multiple levels of functionality, indirection and abstractions must be avoided. It is the role and responsibility of MIDAS to determine a “sweet spot” between the two extremes. In the short term we will work with application teams to provide “fast integration” to support the applications. The RADICAL team will also work with Indiana University to integrate MIDAS with the advanced analytics algorithms and libraries (SPIDAL) to provide scalable and interoperable implementations as they are being developed. As SPIDAL is developed by the project applications, MIDAS will thus provide a “deeper integration” for the applications.


  • Virginia Polytechnic Institute and State University
  • co-PI: Madhav V. Marathe

Networks are an effective abstraction for representing real systems. Consequently, network science is increasingly used in academia and industry to solve problems in many fields. Computations that determine structure properties and dynamical behaviors offer insights into the characteristics of real systems. CINET is an open-access, web-based tool for analyzing networks that represent interactions in large-scale complex systems. It was developed at Virginia Tech and partially funded by NSF to provide a large set of networks and the algorithms to analyze them. Users can also add their own networks to be analyzed by the provided algorithms. The web-based interface has been designed to simplify analysis of complex networks for users who are not necessarily computer scientists. CINET has the following features: (i) it offers realistic networks from the literature and various random and deterministic network generators; (ii) it provides many algorithmic modules and measures to study and characterize networks; (iii) it is designed for efficient execution of complex algorithms on distributed high performance computers so that they scale to large networks; and (iv) it is hosted with web interfaces so that even non-computing experts without direct access to high performance computing resources can still reap the system benefits.

WebPlotViz: Browser based Visualization tool

WebPlotViz is a 3D data point browser that visualizes large volume of 3-dimensional data as points in a virtual space on web browser and enable users to explore the virtual space interactively. Used together with dimension reduction algorithms such as MDS, WebPlotViz can help users to discover intrinsic structures of high-dimensional data and browse large volumes of data points interactively and efficiently in a virtual 3D space.

WebPlotViz uses Three.js JavaScript library for rendering 3D plots in the browser. Three.js is built using WebGL technology, which allows GPU-accelerated graphics using JavaScript. It enables WebPlotViz to visualize 3D plots consisting of millions of data points seamlessly. WebPlotViz is designed to visualize sequences of time series 3D data frame by frame as a moving plot.


MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations with millions of particles in most of the commonly used file formats. It abstracts access to the raw simulation data and presents a uniform object-oriented Python interface to the user. It thus enables users to rapidly write code that is portable and immediately usable in virtually all biomolecular simulation communities while also leveraging the existing libraries in the Python eco-system. The user interface and modular design work equally well in complex scripted workflows, as foundations for other packages, and for interactive and rapid prototyping work. MDAnalysis is developed by an active developer community and is available under the GNU General Public License, version 2.