Dynamic Data Type Refinement Methodology for Systematic Performance-Energy Design Exploration of Network Applications

Network applications are becoming increasingly popular in the embedded systems domain requiring high performance, which leads to high energy consumption. In networks is observed that due to their inherent dynamic nature the dynamic memory subsystem is a main contributor to the overall energy consumption and performance. This paper presents a new systematic methodology, generating performance-energy trade-offs by implementing Dynamic Data Types (DDTs), targeting network applications. The proposed methodology consists of: (i) the application-level DDT exploration, (ii) the network-level DDT exploration and (iii) the Pareto-level DDT exploration. The methodology, supported by an automated tool, offers the designer a set of optimal dynamic data type design solutions. The effectiveness of the proposed methodology is tested on four representative real-life case studies. By applying the second step, it is proved that energy savings up to 80% and performance improvement up to 22% (compared to the original implementations of the benchmarks) can be achieved. Additional energy and performance gains can be achieved and a wide range of possible trade-offs among our Pareto-optimal design choices are obtained, by applying the third step. We achieved up to 93% reduction in energy consumption and up to 48% increase in performance

Computational structure‐based drug design: Predicting target flexibility

The role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing a competitive advantage in early phases of drug discovery. Medium and small companies with strong focus on computational chemistry are being created, some of them having introduced important leads in drug design pipelines. An important source for this success is the extraordinary development of faster and more efficient techniques for describing flexibility in three‐dimensional structural molecular modeling. At different levels, from docking techniques to atomistic molecular dynamics, conformational sampling between receptor and drug results in improved predictions, such as screening enrichment, discovery of transient cavities, etc. In this review article we perform an extensive analysis of these modeling techniques, dividing them into high and low throughput, and emphasizing in their application to drug design studies. We finalize the review with a section describing our Monte Carlo method, PELE, recently highlighted as an outstanding advance in an international blind competition and industrial benchmarks.We acknowledge the BSC-CRG-IRB Joint Research Program in Computational Biology. This work was supported by a grant from the Spanish Government CTQ2016-79138-R.J.I. acknowledges support from SVP-2014-068797, awarded by the Spanish Government.Peer ReviewedPostprint (author's final draft

State-of-the-art in aerodynamic shape optimisation methods

Aerodynamic optimisation has become an indispensable component for any aerodynamic design over the past 60 years, with applications to aircraft, cars, trains, bridges, wind turbines, internal pipe flows, and cavities, among others, and is thus relevant in many facets of technology. With advancements in computational power, automated design optimisation procedures have become more competent, however, there is an ambiguity and bias throughout the literature with regards to relative performance of optimisation architectures and employed algorithms. This paper provides a well-balanced critical review of the dominant optimisation approaches that have been integrated with aerodynamic theory for the purpose of shape optimisation. A total of 229 papers, published in more than 120 journals and conference proceedings, have been classified into 6 different optimisation algorithm approaches. The material cited includes some of the most well-established authors and publications in the field of aerodynamic optimisation. This paper aims to eliminate bias toward certain algorithms by analysing the limitations, drawbacks, and the benefits of the most utilised optimisation approaches. This review provides comprehensive but straightforward insight for non-specialists and reference detailing the current state for specialist practitioners

A synthesis of logic and bio-inspired techniques in the design of dependable systems

Much of the development of model-based design and dependability analysis in the design of dependable systems, including software intensive systems, can be attributed to the application of advances in formal logic and its application to fault forecasting and verification of systems. In parallel, work on bio-inspired technologies has shown potential for the evolutionary design of engineering systems via automated exploration of potentially large design spaces. We have not yet seen the emergence of a design paradigm that effectively combines these two techniques, schematically founded on the two pillars of formal logic and biology, from the early stages of, and throughout, the design lifecycle. Such a design paradigm would apply these techniques synergistically and systematically to enable optimal refinement of new designs which can be driven effectively by dependability requirements. The paper sketches such a model-centric paradigm for the design of dependable systems, presented in the scope of the HiP-HOPS tool and technique, that brings these technologies together to realise their combined potential benefits. The paper begins by identifying current challenges in model-based safety assessment and then overviews the use of meta-heuristics at various stages of the design lifecycle covering topics that span from allocation of dependability requirements, through dependability analysis, to multi-objective optimisation of system architectures and maintenance schedules

A systematic approach for integrated product, materials, and design-process design

Designers are challenged to manage customer, technology, and socio-economic uncertainty causing dynamic, unquenchable demands on limited resources. In this context, increased concept flexibility, referring to a designer s ability to generate concepts, is crucial. Concept flexibility can be significantly increased through the integrated design of product and material concepts. Hence, the challenge is to leverage knowledge of material structure-property relations that significantly affect system concepts for function-based, systematic design of product and materials concepts in an integrated fashion. However, having selected an integrated product and material system concept, managing complexity in embodiment design-processes is important. Facing a complex network of decisions and evolving analysis models a designer needs the flexibility to systematically generate and evaluate embodiment design-process alternatives. In order to address these challenges and respond to the primary research question of how to increase a designer s concept and design-process flexibility to enhance product creation in the conceptual and early embodiment design phases, the primary hypothesis in this dissertation is embodied as a systematic approach for integrated product, materials and design-process design. The systematic approach consists of two components i) a function-based, systematic approach to the integrated design of product and material concepts from a systems perspective, and ii) a systematic strategy to design-process generation and selection based on a decision-centric perspective and a value-of-information-based Process Performance Indicator. The systematic approach is validated using the validation-square approach that consists of theoretical and empirical validation. Empirical validation of the framework is carried out using various examples including: i) design of a reactive material containment system, and ii) design of an optoelectronic communication system.Ph.D.Committee Chair: Allen, Janet K.; Committee Member: Aidun, Cyrus K.; Committee Member: Klein, Benjamin; Committee Member: McDowell, David L.; Committee Member: Mistree, Farrokh; Committee Member: Yoder, Douglas P

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