A Language and Hardware Independent Approach to Quantum-Classical Computing

Heterogeneous high-performance computing (HPC) systems offer novel architectures which accelerate specific workloads through judicious use of specialized coprocessors. A promising architectural approach for future scientific computations is provided by heterogeneous HPC systems integrating quantum processing units (QPUs). To this end, we present XACC (eXtreme-scale ACCelerator) --- a programming model and software framework that enables quantum acceleration within standard or HPC software workflows. XACC follows a coprocessor machine model that is independent of the underlying quantum computing hardware, thereby enabling quantum programs to be defined and executed on a variety of QPUs types through a unified application programming interface. Moreover, XACC defines a polymorphic low-level intermediate representation, and an extensible compiler frontend that enables language independent quantum programming, thus promoting integration and interoperability across the quantum programming landscape. In this work we define the software architecture enabling our hardware and language independent approach, and demonstrate its usefulness across a range of quantum computing models through illustrative examples involving the compilation and execution of gate and annealing-based quantum programs

Considering Human Aspects on Strategies for Designing and Managing Distributed Human Computation

A human computation system can be viewed as a distributed system in which the processors are humans, called workers. Such systems harness the cognitive power of a group of workers connected to the Internet to execute relatively simple tasks, whose solutions, once grouped, solve a problem that systems equipped with only machines could not solve satisfactorily. Examples of such systems are Amazon Mechanical Turk and the Zooniverse platform. A human computation application comprises a group of tasks, each of them can be performed by one worker. Tasks might have dependencies among each other. In this study, we propose a theoretical framework to analyze such type of application from a distributed systems point of view. Our framework is established on three dimensions that represent different perspectives in which human computation applications can be approached: quality-of-service requirements, design and management strategies, and human aspects. By using this framework, we review human computation in the perspective of programmers seeking to improve the design of human computation applications and managers seeking to increase the effectiveness of human computation infrastructures in running such applications. In doing so, besides integrating and organizing what has been done in this direction, we also put into perspective the fact that the human aspects of the workers in such systems introduce new challenges in terms of, for example, task assignment, dependency management, and fault prevention and tolerance. We discuss how they are related to distributed systems and other areas of knowledge.Comment: 3 figures, 1 tabl

Theoretical Underpinnings and Practical Challenges of Crowdsourcing as a Mechanism for Academic Study

Researchers in a variety of fields are increasingly adopting crowdsourcing as a reliable instrument for performing tasks that are either complex for humans and computer algorithms. As a result, new forms of collective intelligence have emerged from the study of massive crowd-machine interactions in scientific work settings as a field for which there is no known theory or model able to explain how it really works. Such type of crowd work uses an open participation model that keeps the scientific activity (including datasets, methods, guidelines, and analysis results) widely available and mostly independent from institutions, which distinguishes crowd science from other crowd-assisted types of participation. In this paper, we build on the practical challenges of crowd-AI supported research and propose a conceptual framework for addressing the socio-technical aspects of crowd science from a CSCW viewpoint. Our study reinforces a manifested lack of systematic and empirical research of the symbiotic relation of AI with human computation and crowd computing in scientific endeavors

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing

Toward High-Performance Computing and Big Data Analytics Convergence: The Case of Spark-DIY

Convergence between high-performance computing (HPC) and big data analytics (BDA) is currently an established research area that has spawned new opportunities for unifying the platform layer and data abstractions in these ecosystems. This work presents an architectural model that enables the interoperability of established BDA and HPC execution models, reflecting the key design features that interest both the HPC and BDA communities, and including an abstract data collection and operational model that generates a unified interface for hybrid applications. This architecture can be implemented in different ways depending on the process- and data-centric platforms of choice and the mechanisms put in place to effectively meet the requirements of the architecture. The Spark-DIY platform is introduced in the paper as a prototype implementation of the architecture proposed. It preserves the interfaces and execution environment of the popular BDA platform Apache Spark, making it compatible with any Spark-based application and tool, while providing efficient communication and kernel execution via DIY, a powerful communication pattern library built on top of MPI. Later, Spark-DIY is analyzed in terms of performance by building a representative use case from the hydrogeology domain, EnKF-HGS. This application is a clear example of how current HPC simulations are evolving toward hybrid HPC-BDA applications, integrating HPC simulations within a BDA environment.This work was supported in part by the Spanish Ministry of Economy, Industry and Competitiveness under Grant TIN2016-79637-P(toward Unification of HPC and Big Data Paradigms), in part by the Spanish Ministry of Education under Grant FPU15/00422 TrainingProgram for Academic and Teaching Staff Grant, in part by the Advanced Scientific Computing Research, Office of Science, U.S.Department of Energy, under Contract DE-AC02-06CH11357, and in part by the DOE with under Agreement DE-DC000122495,Program Manager Laura Biven

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing.Comment: Submitted as a roadmap article to Modelling and Simulation in Materials Science and Engineering; Address any correspondence to Vikram Gavini ([email protected]) and Danny Perez ([email protected]

Enhancement of Metaheuristic Algorithm for Scheduling Workflows in Multi-fog Environments

Whether in computer science, engineering, or economics, optimization lies at the heart of any challenge involving decision-making. Choosing between several options is part of the decision- making process. Our desire to make the "better" decision drives our decision. An objective function or performance index describes the assessment of the alternative's goodness. The theory and methods of optimization are concerned with picking the best option. There are two types of optimization methods: deterministic and stochastic. The first is a traditional approach, which works well for small and linear problems. However, they struggle to address most of the real-world problems, which have a highly dimensional, nonlinear, and complex nature. As an alternative, stochastic optimization algorithms are specifically designed to tackle these types of challenges and are more common nowadays. This study proposed two stochastic, robust swarm-based metaheuristic optimization methods. They are both hybrid algorithms, which are formulated by combining Particle Swarm Optimization and Salp Swarm Optimization algorithms. Further, these algorithms are then applied to an important and thought-provoking problem. The problem is scientific workflow scheduling in multiple fog environments. Many computer environments, such as fog computing, are plagued by security attacks that must be handled. DDoS attacks are effectively harmful to fog computing environments as they occupy the fog's resources and make them busy. Thus, the fog environments would generally have fewer resources available during these types of attacks, and then the scheduling of submitted Internet of Things (IoT) workflows would be affected. Nevertheless, the current systems disregard the impact of DDoS attacks occurring in their scheduling process, causing the amount of workflows that miss deadlines as well as increasing the amount of tasks that are offloaded to the cloud. Hence, this study proposed a hybrid optimization algorithm as a solution for dealing with the workflow scheduling issue in various fog computing locations. The proposed algorithm comprises Salp Swarm Algorithm (SSA) and Particle Swarm Optimization (PSO). In dealing with the effects of DDoS attacks on fog computing locations, two Markov-chain schemes of discrete time types were used, whereby one calculates the average network bandwidth existing in each fog while the other determines the number of virtual machines existing in every fog on average. DDoS attacks are addressed at various levels. The approach predicts the DDoS attack’s influences on fog environments. Based on the simulation results, the proposed method can significantly lessen the amount of offloaded tasks that are transferred to the cloud data centers. It could also decrease the amount of workflows with missed deadlines. Moreover, the significance of green fog computing is growing in fog computing environments, in which the consumption of energy plays an essential role in determining maintenance expenses and carbon dioxide emissions. The implementation of efficient scheduling methods has the potential to mitigate the usage of energy by allocating tasks to the most appropriate resources, considering the energy efficiency of each individual resource. In order to mitigate these challenges, the proposed algorithm integrates the Dynamic Voltage and Frequency Scaling (DVFS) technique, which is commonly employed to enhance the energy efficiency of processors. The experimental findings demonstrate that the utilization of the proposed method, combined with the Dynamic Voltage and Frequency Scaling (DVFS) technique, yields improved outcomes. These benefits encompass a minimization in energy consumption. Consequently, this approach emerges as a more environmentally friendly and sustainable solution for fog computing environments

Scientific Workflow Scheduling for Cloud Computing Environments

The scheduling of workflow applications consists of assigning their tasks to computer resources to fulfill a final goal such as minimizing total workflow execution time. For this reason, workflow scheduling plays a crucial role in efficiently running experiments. Workflows often have many discrete tasks and the number of different task distributions possible and consequent time required to evaluate each configuration quickly becomes prohibitively large. A proper solution to the scheduling problem requires the analysis of tasks and resources, production of an accurate environment model and, most importantly, the adaptation of optimization techniques. This study is a major step toward solving the scheduling problem by not only addressing these issues but also optimizing the runtime and reducing monetary cost, two of the most important variables. This study proposes three scheduling algorithms capable of answering key issues to solve the scheduling problem. Firstly, it unveils BaRRS, a scheduling solution that exploits parallelism and optimizes runtime and monetary cost. Secondly, it proposes GA-ETI, a scheduler capable of returning the number of resources that a given workflow requires for execution. Finally, it describes PSO-DS, a scheduler based on particle swarm optimization to efficiently schedule large workflows. To test the algorithms, five well-known benchmarks are selected that represent different scientific applications. The experiments found the novel algorithms solutions substantially improve efficiency, reducing makespan by 11% to 78%. The proposed frameworks open a path for building a complete system that encompasses the capabilities of a workflow manager, scheduler, and a cloud resource broker in order to offer scientists a single tool to run computationally intensive applications