AiiDA: Automated Interactive Infrastructure and Database for Computational Science

Computational science has seen in the last decades a spectacular rise in the scope, breadth, and depth of its efforts. Notwithstanding this prevalence and impact, it is often still performed using the renaissance model of individual artisans gathered in a workshop, under the guidance of an established practitioner. Great benefits could follow instead from adopting concepts and tools coming from computer science to manage, preserve, and share these computational efforts. We illustrate here our paradigm sustaining such vision, based around the four pillars of Automation, Data, Environment, and Sharing. We then discuss its implementation in the open-source AiiDA platform (http://www.aiida.net), that has been tuned first to the demands of computational materials science. AiiDA's design is based on directed acyclic graphs to track the provenance of data and calculations, and ensure preservation and searchability. Remote computational resources are managed transparently, and automation is coupled with data storage to ensure reproducibility. Last, complex sequences of calculations can be encoded into scientific workflows. We believe that AiiDA's design and its sharing capabilities will encourage the creation of social ecosystems to disseminate codes, data, and scientific workflows.Comment: 30 pages, 7 figure

<i>Trace++</i>: A Traceability Approach for Agile Software Engineering

Agile methodologies have been introduced as an alternative to traditional software engineering methodologies. However, despite the advantages of using agile methodologies, the transition between traditional and agile methodologies is not an easy task. There are several problems associated with the use of agile methodologies. Examples of these problems are related to (i) lack of metrics to measure the amount of rework that occurs per sprint, (ii) interruption of a project after several iterations, (iii) changes in the requirements, (iv) lack of documentation, and (v) lack of management control. In this paper we present Trace++, a traceability technique that extends traditional traceability relationships with extra information in order to support the transition between traditional and agile software development. The use of Trace++ has been evaluated in two real projects of different software development companies to measure the benefits of using Trace++ to support agile software development

Expert system development methodology and the transition from prototyping to operations: FIESTA, a case study

A major barrier in taking expert systems from prototype to operational status involves instilling end user confidence in the operational system. The software of different life cycle models is examined and the advantages and disadvantages of each when applied to expert system development are explored. The Fault Isolation Expert System for Tracking and data relay satellite system Applications (FIESTA) is presented as a case study of development of an expert system. The end user confidence necessary for operational use of this system is accentuated by the fact that it will handle real-time data in a secure environment, allowing little tolerance for errors. How FIESTA is dealing with transition problems as it moves from an off-line standalone prototype to an on-line real-time system is discussed

Data Definitions in the ACL2 Sedan

We present a data definition framework that enables the convenient specification of data types in ACL2s, the ACL2 Sedan. Our primary motivation for developing the data definition framework was pedagogical. We were teaching undergraduate students how to reason about programs using ACL2s and wanted to provide them with an effective method for defining, testing, and reasoning about data types in the context of an untyped theorem prover. Our framework is now routinely used not only for pedagogical purposes, but also by advanced users. Our framework concisely supports common data definition patterns, e.g. list types, map types, and record types. It also provides support for polymorphic functions. A distinguishing feature of our approach is that we maintain both a predicative and an enumerative characterization of data definitions. In this paper we present our data definition framework via a sequence of examples. We give a complete characterization in terms of tau rules of the inclusion/exclusion relations a data definition induces, under suitable restrictions. The data definition framework is a key component of counterexample generation support in ACL2s, but can be independently used in ACL2, and is available as a community book.Comment: In Proceedings ACL2 2014, arXiv:1406.123

Factors shaping the evolution of electronic documentation systems

The main goal is to prepare the space station technical and managerial structure for likely changes in the creation, capture, transfer, and utilization of knowledge. By anticipating advances, the design of Space Station Project (SSP) information systems can be tailored to facilitate a progression of increasingly sophisticated strategies as the space station evolves. Future generations of advanced information systems will use increases in power to deliver environmentally meaningful, contextually targeted, interconnected data (knowledge). The concept of a Knowledge Base Management System is emerging when the problem is focused on how information systems can perform such a conversion of raw data. Such a system would include traditional management functions for large space databases. Added artificial intelligence features might encompass co-existing knowledge representation schemes; effective control structures for deductive, plausible, and inductive reasoning; means for knowledge acquisition, refinement, and validation; explanation facilities; and dynamic human intervention. The major areas covered include: alternative knowledge representation approaches; advanced user interface capabilities; computer-supported cooperative work; the evolution of information system hardware; standardization, compatibility, and connectivity; and organizational impacts of information intensive environments

Banning design automation software implementation

The research is reported for developing a system of computer programs to aid engineering in the design, fabrication, and testing of large scale integrated circuits, hybrid circuits, and printed circuit boards. The automatic layout programs, analysis programs, and interface programs are discussed

Unleashing the Effectiveness of Process-oriented Information Systems: Problem Analysis, Critical Success Factors, Implications

Process-oriented information systems (IS) aim at the computerized support of business processes. So far, contemporary IS have often fail to meet this goal. To better understand this drawback, to systematically identify its rationales, and to derive critical success factors for business process support, we conducted three empirical studies: an exploratory case study in the automotive domain, an online survey among 79 IT professionals, and another online survey among 70 business process management (BPM) experts. This paper summarizes the findings of these studies, puts them in relation with each other, and uses them to show that "process-orientation" is scarce and "process-awareness" is needed in IS engineering