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

Towards the Model-Driven Engineering of Secure yet Safe Embedded Systems

We introduce SysML-Sec, a SysML-based Model-Driven Engineering environment aimed at fostering the collaboration between system designers and security experts at all methodological stages of the development of an embedded system. A central issue in the design of an embedded system is the definition of the hardware/software partitioning of the architecture of the system, which should take place as early as possible. SysML-Sec aims to extend the relevance of this analysis through the integration of security requirements and threats. In particular, we propose an agile methodology whose aim is to assess early on the impact of the security requirements and of the security mechanisms designed to satisfy them over the safety of the system. Security concerns are captured in a component-centric manner through existing SysML diagrams with only minimal extensions. After the requirements captured are derived into security and cryptographic mechanisms, security properties can be formally verified over this design. To perform the latter, model transformation techniques are implemented in the SysML-Sec toolchain in order to derive a ProVerif specification from the SysML models. An automotive firmware flashing procedure serves as a guiding example throughout our presentation.Comment: In Proceedings GraMSec 2014, arXiv:1404.163

“An ethnographic seduction”: how qualitative research and Agent-based models can benefit each other

We provide a general analytical framework for empirically informed agent-based simulations. This methodology provides present-day agent-based models with a sound and proper insight as to the behavior of social agents — an insight that statistical data often fall short of providing at least at a micro level and for hidden and sensitive populations. In the other direction, simulations can provide qualitative researchers in sociology, anthropology and other fields with valuable tools for: (a) testing the consistency and pushing the boundaries, of specific theoretical frameworks; (b) replicating and generalizing results; (c) providing a platform for cross-disciplinary validation of results

Design Space Exploration in Cyber-Physical Systems

Cyber physical systems (CPS) integrate a variety of engineering areas such as control, mechanical and computer engineering in a holistic design effort. While interdependencies between the different disciplines are key attributes of CPS design science, little is known about the impact of design decisions of the cyber part on the overall system qualities. To investigate these interdependencies, this paper proposes a simulation-based Design Space Exploration (DSE) framework that considers detailed cyber system parameters such as cache size, bus width, and voltage levels in addition to physical and control parameters of the CPS. We propose an exploration algorithm that surfs the parameter configurations in the cyber physical sub-systems, in order to approximate the Pareto-optimal design points with regards to the trade-os among the design objectives, such as energy consumption and control stability. We apply the proposed framework to a network control system for an inverted-pendulum application. The presented holistic evaluation of the identified Pareto-points reveals the presence of non-trivial trade-os, which are imposed by the control, physical, and detailed cyber parameters. For instance the identified energy and control optimal design points comprise configurations with a wide range of CPU speeds, sample times and cache configuration following non-trivial zig-zag patterns. The proposed framework could identify and manage those trade-os and, as a result, is an imperative rst step to automate the search for superior CSP configurations

GEANT4 : a simulation toolkit

Abstract Geant4 is a toolkit for simulating the passage of particles through matter. It includes a complete range of functionality including tracking, geometry, physics models and hits. The physics processes offered cover a comprehensive range, including electromagnetic, hadronic and optical processes, a large set of long-lived particles, materials and elements, over a wide energy range starting, in some cases, from 250 eV and extending in others to the TeV energy range. It has been designed and constructed to expose the physics models utilised, to handle complex geometries, and to enable its easy adaptation for optimal use in different sets of applications. The toolkit is the result of a worldwide collaboration of physicists and software engineers. It has been created exploiting software engineering and object-oriented technology and implemented in the C++ programming language. It has been used in applications in particle physics, nuclear physics, accelerator design, space engineering and medical physics. PACS: 07.05.Tp; 13; 2