Enhancing Workflow with a Semantic Description of Scientific Intent

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PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward since they may need multiple processing tasks and iterations. Furthermore, parameter and performance studies are common approaches used to characterize a simulation, often requiring traversal of a large parameter space. High-performance computers offer practical resources at the expense of users handling the setup, submission, and management of jobs. This work presents the design of PaPaS, a portable, lightweight, and generic workflow framework for conducting parallel parameter and performance studies. Workflows are defined using parameter files based on keyword-value pairs syntax, thus removing from the user the overhead of creating complex scripts to manage the workflow. A parameter set consists of any combination of environment variables, files, partial file contents, and command line arguments. PaPaS is being developed in Python 3 with support for distributed parallelization using SSH, batch systems, and C++ MPI. The PaPaS framework will run as user processes, and can be used in single/multi-node and multi-tenant computing systems. An example simulation using the BehaviorSpace tool from NetLogo and a matrix multiply using OpenMP are presented as parameter and performance studies, respectively. The results demonstrate that the PaPaS framework offers a simple method for defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, US

Combining design and performance in a data visualization management system

Interactive data visualizations have emerged as a prominent way to bring data exploration and analysis capabilities to both technical and non-technical users. Despite their ubiquity and importance across applications, multiple design- and performance-related challenges lurk beneath the visualization creation process. To meet these challenges, application designers either use visualization systems (e.g., Endeca, Tableau, and Splunk) that are tailored to domain-specific analyses, or manually design, implement, and optimize their own solutions. Unfortunately, both approaches typically slow down the creation process. In this paper, we describe the status of our progress towards an end-to-end relational approach in our data visualization management system (DVMS). We introduce DeVIL, a SQL-like language to express static as well as interactive visualizations as database views that combine user inpu

A MULTI-FUNCTIONAL PROVENANCE ARCHITECTURE: CHALLENGES AND SOLUTIONS

In service-oriented environments, services are put together in the form of a workflow with the aim of distributed problem solving. Capturing the execution details of the services' transformations is a significant advantage of using workflows. These execution details, referred to as provenance information, are usually traced automatically and stored in provenance stores. Provenance data contains the data recorded by a workflow engine during a workflow execution. It identifies what data is passed between services, which services are involved, and how results are eventually generated for particular sets of input values. Provenance information is of great importance and has found its way through areas in computer science such as: Bioinformatics, database, social, sensor networks, etc. Current exploitation and application of provenance data is very limited as provenance systems started being developed for specific applications. Thus, applying learning and knowledge discovery methods to provenance data can provide rich and useful information on workflows and services. Therefore, in this work, the challenges with workflows and services are studied to discover the possibilities and benefits of providing solutions by using provenance data. A multifunctional architecture is presented which addresses the workflow and service issues by exploiting provenance data. These challenges include workflow composition, abstract workflow selection, refinement, evaluation, and graph model extraction. The specific contribution of the proposed architecture is its novelty in providing a basis for taking advantage of the previous execution details of services and workflows along with artificial intelligence and knowledge management techniques to resolve the major challenges regarding workflows. The presented architecture is application-independent and could be deployed in any area. The requirements for such an architecture along with its building components are discussed. Furthermore, the responsibility of the components, related works and the implementation details of the architecture along with each component are presented

A abordagem POESIA para a integração de dados e serviços na Web semantica

Orientador: Claudia Bauzer MedeirosTese (doutorado) - Universidade Estadual de Campinas, Instituto de ComputaçãoResumo: POESIA (Processes for Open-Ended Systems for lnformation Analysis), a abordagem proposta neste trabalho, visa a construção de processos complexos envolvendo integração e análise de dados de diversas fontes, particularmente em aplicações científicas. A abordagem é centrada em dois tipos de mecanismos da Web semântica: workflows científicos, para especificar e compor serviços Web; e ontologias de domínio, para viabilizar a interoperabilidade e o gerenciamento semânticos dos dados e processos. As principais contribuições desta tese são: (i) um arcabouço teórico para a descrição, localização e composição de dados e serviços na Web, com regras para verificar a consistência semântica de composições desses recursos; (ii) métodos baseados em ontologias de domínio para auxiliar a integração de dados e estimar a proveniência de dados em processos cooperativos na Web; (iii) implementação e validação parcial das propostas, em urna aplicação real no domínio de planejamento agrícola, analisando os benefícios e as limitações de eficiência e escalabilidade da tecnologia atual da Web semântica, face a grandes volumes de dadosAbstract: POESIA (Processes for Open-Ended Systems for Information Analysis), the approach proposed in this work, supports the construction of complex processes that involve the integration and analysis of data from several sources, particularly in scientific applications. This approach is centered in two types of semantic Web mechanisms: scientific workflows, to specify and compose Web services; and domain ontologies, to enable semantic interoperability and management of data and processes. The main contributions of this thesis are: (i) a theoretical framework to describe, discover and compose data and services on the Web, inc1uding mIes to check the semantic consistency of resource compositions; (ii) ontology-based methods to help data integration and estimate data provenance in cooperative processes on the Web; (iii) partial implementation and validation of the proposal, in a real application for the domain of agricultural planning, analyzing the benefits and scalability problems of the current semantic Web technology, when faced with large volumes of dataDoutoradoCiência da ComputaçãoDoutor em Ciência da Computaçã

Automatic deployment and reproducibility of workflow on the Cloud using container virtualization

PhD ThesisCloud computing is a service-oriented approach to distributed computing that has many attractive features, including on-demand access to large compute resources. One type of cloud applications are scientific work ows, which are playing an increasingly important role in building applications from heterogeneous components. Work ows are increasingly used in science as a means to capture, share, and publish computational analysis. Clouds can offer a number of benefits to work ow systems, including the dynamic provisioning of the resources needed for computation and storage, which has the potential to dramatically increase the ability to quickly extract new results from the huge amounts of data now being collected. However, there are increasing number of Cloud computing platforms, each with different functionality and interfaces. It therefore becomes increasingly challenging to de ne work ows in a portable way so that they can be run reliably on different clouds. As a consequence, work ow developers face the problem of deciding which Cloud to select and - more importantly for the long-term - how to avoid vendor lock-in. A further issue that has arisen with work ows is that it is common for them to stop being executable a relatively short time after they were created. This can be due to the external resources required to execute a work ow - such as data and services - becoming unavailable. It can also be caused by changes in the execution environment on which the work ow depends, such as changes to a library causing an error when a work ow service is executed. This "work ow decay" issue is recognised as an impediment to the reuse of work ows and the reproducibility of their results. It is becoming a major problem, as the reproducibility of science is increasingly dependent on the reproducibility of scientific work ows. In this thesis we presented new solutions to address these challenges. We propose a new approach to work ow modelling that offers a portable and re-usable description of the work ow using the TOSCA specification language. Our approach addresses portability by allowing work ow components to be systematically specifed and automatically - v - deployed on a range of clouds, or in local computing environments, using container virtualisation techniques. To address the issues of reproducibility and work ow decay, our modelling and deployment approach has also been integrated with source control and container management techniques to create a new framework that e ciently supports dynamic work ow deployment, (re-)execution and reproducibility. To improve deployment performance, we extend the framework with number of new optimisation techniques, and evaluate their effect on a range of real and synthetic work ows.Ministry of Higher Education and Scientific Research in Iraq and Mosul Universit

Advanced Knowledge Technologies at the Midterm: Tools and Methods for the Semantic Web

The University of Edinburgh and research sponsors are authorised to reproduce and distribute reprints and on-line copies for their purposes notwithstanding any copyright annotation hereon. The views and conclusions contained herein are the author’s and shouldn’t be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of other parties.In a celebrated essay on the new electronic media, Marshall McLuhan wrote in 1962:Our private senses are not closed systems but are endlessly translated into each other in that experience which we call consciousness. Our extended senses, tools, technologies, through the ages, have been closed systems incapable of interplay or collective awareness. Now, in the electric age, the very instantaneous nature of co-existence among our technological instruments has created a crisis quite new in human history. Our extended faculties and senses now constitute a single field of experience which demands that they become collectively conscious. Our technologies, like our private senses, now demand an interplay and ratio that makes rational co-existence possible. As long as our technologies were as slow as the wheel or the alphabet or money, the fact that they were separate, closed systems was socially and psychically supportable. This is not true now when sight and sound and movement are simultaneous and global in extent. (McLuhan 1962, p.5, emphasis in original)Over forty years later, the seamless interplay that McLuhan demanded between our technologies is still barely visible. McLuhan’s predictions of the spread, and increased importance, of electronic media have of course been borne out, and the worlds of business, science and knowledge storage and transfer have been revolutionised. Yet the integration of electronic systems as open systems remains in its infancy.Advanced Knowledge Technologies (AKT) aims to address this problem, to create a view of knowledge and its management across its lifecycle, to research and create the services and technologies that such unification will require. Half way through its sixyear span, the results are beginning to come through, and this paper will explore some of the services, technologies and methodologies that have been developed. We hope to give a sense in this paper of the potential for the next three years, to discuss the insights and lessons learnt in the first phase of the project, to articulate the challenges and issues that remain.The WWW provided the original context that made the AKT approach to knowledge management (KM) possible. AKT was initially proposed in 1999, it brought together an interdisciplinary consortium with the technological breadth and complementarity to create the conditions for a unified approach to knowledge across its lifecycle. The combination of this expertise, and the time and space afforded the consortium by the IRC structure, suggested the opportunity for a concerted effort to develop an approach to advanced knowledge technologies, based on the WWW as a basic infrastructure.The technological context of AKT altered for the better in the short period between the development of the proposal and the beginning of the project itself with the development of the semantic web (SW), which foresaw much more intelligent manipulation and querying of knowledge. The opportunities that the SW provided for e.g., more intelligent retrieval, put AKT in the centre of information technology innovation and knowledge management services; the AKT skill set would clearly be central for the exploitation of those opportunities.The SW, as an extension of the WWW, provides an interesting set of constraints to the knowledge management services AKT tries to provide. As a medium for the semantically-informed coordination of information, it has suggested a number of ways in which the objectives of AKT can be achieved, most obviously through the provision of knowledge management services delivered over the web as opposed to the creation and provision of technologies to manage knowledge.AKT is working on the assumption that many web services will be developed and provided for users. The KM problem in the near future will be one of deciding which services are needed and of coordinating them. Many of these services will be largely or entirely legacies of the WWW, and so the capabilities of the services will vary. As well as providing useful KM services in their own right, AKT will be aiming to exploit this opportunity, by reasoning over services, brokering between them, and providing essential meta-services for SW knowledge service management.Ontologies will be a crucial tool for the SW. The AKT consortium brings a lot of expertise on ontologies together, and ontologies were always going to be a key part of the strategy. All kinds of knowledge sharing and transfer activities will be mediated by ontologies, and ontology management will be an important enabling task. Different applications will need to cope with inconsistent ontologies, or with the problems that will follow the automatic creation of ontologies (e.g. merging of pre-existing ontologies to create a third). Ontology mapping, and the elimination of conflicts of reference, will be important tasks. All of these issues are discussed along with our proposed technologies.Similarly, specifications of tasks will be used for the deployment of knowledge services over the SW, but in general it cannot be expected that in the medium term there will be standards for task (or service) specifications. The brokering metaservices that are envisaged will have to deal with this heterogeneity.The emerging picture of the SW is one of great opportunity but it will not be a wellordered, certain or consistent environment. It will comprise many repositories of legacy data, outdated and inconsistent stores, and requirements for common understandings across divergent formalisms. There is clearly a role for standards to play to bring much of this context together; AKT is playing a significant role in these efforts. But standards take time to emerge, they take political power to enforce, and they have been known to stifle innovation (in the short term). AKT is keen to understand the balance between principled inference and statistical processing of web content. Logical inference on the Web is tough. Complex queries using traditional AI inference methods bring most distributed computer systems to their knees. Do we set up semantically well-behaved areas of the Web? Is any part of the Web in which semantic hygiene prevails interesting enough to reason in? These and many other questions need to be addressed if we are to provide effective knowledge technologies for our content on the web

The Semantic Grid: A future e-Science infrastructure

e-Science offers a promising vision of how computer and communication technology can support and enhance the scientific process. It does this by enabling scientists to generate, analyse, share and discuss their insights, experiments and results in an effective manner. The underlying computer infrastructure that provides these facilities is commonly referred to as the Grid. At this time, there are a number of grid applications being developed and there is a whole raft of computer technologies that provide fragments of the necessary functionality. However there is currently a major gap between these endeavours and the vision of e-Science in which there is a high degree of easy-to-use and seamless automation and in which there are flexible collaborations and computations on a global scale. To bridge this practice–aspiration divide, this paper presents a research agenda whose aim is to move from the current state of the art in e-Science infrastructure, to the future infrastructure that is needed to support the full richness of the e-Science vision. Here the future e-Science research infrastructure is termed the Semantic Grid (Semantic Grid to Grid is meant to connote a similar relationship to the one that exists between the Semantic Web and the Web). In particular, we present a conceptual architecture for the Semantic Grid. This architecture adopts a service-oriented perspective in which distinct stakeholders in the scientific process, represented as software agents, provide services to one another, under various service level agreements, in various forms of marketplace. We then focus predominantly on the issues concerned with the way that knowledge is acquired and used in such environments since we believe this is the key differentiator between current grid endeavours and those envisioned for the Semantic Grid