The computer revolution in science: steps towards the realization of computer-supported discovery environments

The tools that scientists use in their search processes together form so-called discovery environments. The promise of artificial intelligence and other branches of computer science is to radically transform conventional discovery environments by equipping scientists with a range of powerful computer tools including large-scale, shared knowledge bases and discovery programs. We will describe the future computer-supported discovery environments that may result, and illustrate by means of a realistic scenario how scientists come to new discoveries in these environments. In order to make the step from the current generation of discovery tools to computer-supported discovery environments like the one presented in the scenario, developers should realize that such environments are large-scale sociotechnical systems. They should not just focus on isolated computer programs, but also pay attention to the question how these programs will be used and maintained by scientists in research practices. In order to help developers of discovery programs in achieving the integration of their tools in discovery environments, we will formulate a set of guidelines that developers could follow

Exploring the Use of Virtual Worlds as a Scientific Research Platform: The Meta-Institute for Computational Astrophysics (MICA)

We describe the Meta-Institute for Computational Astrophysics (MICA), the first professional scientific organization based exclusively in virtual worlds (VWs). The goals of MICA are to explore the utility of the emerging VR and VWs technologies for scientific and scholarly work in general, and to facilitate and accelerate their adoption by the scientific research community. MICA itself is an experiment in academic and scientific practices enabled by the immersive VR technologies. We describe the current and planned activities and research directions of MICA, and offer some thoughts as to what the future developments in this arena may be.Comment: 15 pages, to appear in the refereed proceedings of "Facets of Virtual Environments" (FaVE 2009), eds. F. Lehmann-Grube, J. Sablating, et al., ICST Lecture Notes Ser., Berlin: Springer Verlag (2009); version with full resolution color figures is available at http://www.mica-vw.org/wiki/index.php/Publication

Enhancing Energy Production with Exascale HPC Methods

High Performance Computing (HPC) resources have become the key actor for achieving more ambitious challenges in many disciplines. In this step beyond, an explosion on the available parallelism and the use of special purpose processors are crucial. With such a goal, the HPC4E project applies new exascale HPC techniques to energy industry simulations, customizing them if necessary, and going beyond the state-of-the-art in the required HPC exascale simulations for different energy sources. In this paper, a general overview of these methods is presented as well as some specific preliminary results.The research leading to these results has received funding from the European Union's Horizon 2020 Programme (2014-2020) under the HPC4E Project (www.hpc4e.eu), grant agreement n° 689772, the Spanish Ministry of Economy and Competitiveness under the CODEC2 project (TIN2015-63562-R), and from the Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP). Computer time on Endeavour cluster is provided by the Intel Corporation, which enabled us to obtain the presented experimental results in uncertainty quantification in seismic imagingPostprint (author's final draft

Enabling Interactive Analytics of Secure Data using Cloud Kotta

Research, especially in the social sciences and humanities, is increasingly reliant on the application of data science methods to analyze large amounts of (often private) data. Secure data enclaves provide a solution for managing and analyzing private data. However, such enclaves do not readily support discovery science---a form of exploratory or interactive analysis by which researchers execute a range of (sometimes large) analyses in an iterative and collaborative manner. The batch computing model offered by many data enclaves is well suited to executing large compute tasks; however it is far from ideal for day-to-day discovery science. As researchers must submit jobs to queues and wait for results, the high latencies inherent in queue-based, batch computing systems hinder interactive analysis. In this paper we describe how we have augmented the Cloud Kotta secure data enclave to support collaborative and interactive analysis of sensitive data. Our model uses Jupyter notebooks as a flexible analysis environment and Python language constructs to support the execution of arbitrary functions on private data within this secure framework.Comment: To appear in Proceedings of Workshop on Scientific Cloud Computing, Washington, DC USA, June 2017 (ScienceCloud 2017), 7 page

Curriculum Guidelines for Undergraduate Programs in Data Science

The Park City Math Institute (PCMI) 2016 Summer Undergraduate Faculty Program met for the purpose of composing guidelines for undergraduate programs in Data Science. The group consisted of 25 undergraduate faculty from a variety of institutions in the U.S., primarily from the disciplines of mathematics, statistics and computer science. These guidelines are meant to provide some structure for institutions planning for or revising a major in Data Science