Workflow Partitioning and Deployment on the Cloud using Orchestra

Orchestrating service-oriented workflows is typically based on a design model that routes both data and control through a single point - the centralised workflow engine. This causes scalability problems that include the unnecessary consumption of the network bandwidth, high latency in transmitting data between the services, and performance bottlenecks. These problems are highly prominent when orchestrating workflows that are composed from services dispersed across distant geographical locations. This paper presents a novel workflow partitioning approach, which attempts to improve the scalability of orchestrating large-scale workflows. It permits the workflow computation to be moved towards the services providing the data in order to garner optimal performance results. This is achieved by decomposing the workflow into smaller sub workflows for parallel execution, and determining the most appropriate network locations to which these sub workflows are transmitted and subsequently executed. This paper demonstrates the efficiency of our approach using a set of experimental workflows that are orchestrated over Amazon EC2 and across several geographic network regions.Comment: To appear in Proceedings of the IEEE/ACM 7th International Conference on Utility and Cloud Computing (UCC 2014

Static Analysis of Deterministic Negotiations

Negotiation diagrams are a model of concurrent computation akin to workflow Petri nets. Deterministic negotiation diagrams, equivalent to the much studied and used free-choice workflow Petri nets, are surprisingly amenable to verification. Soundness (a property close to deadlock-freedom) can be decided in PTIME. Further, other fundamental questions like computing summaries or the expected cost, can also be solved in PTIME for sound deterministic negotiation diagrams, while they are PSPACE-complete in the general case. In this paper we generalize and explain these results. We extend the classical "meet-over-all-paths" (MOP) formulation of static analysis problems to our concurrent setting, and introduce Mazurkiewicz-invariant analysis problems, which encompass the questions above and new ones. We show that any Mazurkiewicz-invariant analysis problem can be solved in PTIME for sound deterministic negotiations whenever it is in PTIME for sequential flow-graphs---even though the flow-graph of a deterministic negotiation diagram can be exponentially larger than the diagram itself. This gives a common explanation to the low-complexity of all the analysis questions studied so far. Finally, we show that classical gen/kill analyses are also an instance of our framework, and obtain a PTIME algorithm for detecting anti-patterns in free-choice workflow Petri nets. Our result is based on a novel decomposition theorem, of independent interest, showing that sound deterministic negotiation diagrams can be hierarchically decomposed into (possibly overlapping) smaller sound diagrams.Comment: To appear in the Proceedings of LICS 2017, IEEE Computer Societ

A lightweight, flow-based toolkit for parallel and distributed bioinformatics pipelines

<p>Abstract</p> <p>Background</p> <p>Bioinformatic analyses typically proceed as chains of data-processing tasks. A pipeline, or 'workflow', is a well-defined protocol, with a specific structure defined by the topology of data-flow interdependencies, and a particular functionality arising from the data transformations applied at each step. In computer science, the dataflow programming (DFP) paradigm defines software systems constructed in this manner, as networks of message-passing components. Thus, bioinformatic workflows can be naturally mapped onto DFP concepts.</p> <p>Results</p> <p>To enable the flexible creation and execution of bioinformatics dataflows, we have written a modular framework for parallel pipelines in Python ('PaPy'). A PaPy workflow is created from re-usable components connected by data-pipes into a directed acyclic graph, which together define nested higher-order map functions. The successive functional transformations of input data are evaluated on flexibly pooled compute resources, either local or remote. Input items are processed in batches of adjustable size, all flowing one to tune the trade-off between parallelism and lazy-evaluation (memory consumption). An add-on module ('NuBio') facilitates the creation of bioinformatics workflows by providing domain specific data-containers (<it>e.g</it>., for biomolecular sequences, alignments, structures) and functionality (<it>e.g</it>., to parse/write standard file formats).</p> <p>Conclusions</p> <p>PaPy offers a modular framework for the creation and deployment of parallel and distributed data-processing workflows. Pipelines derive their functionality from user-written, data-coupled components, so PaPy also can be viewed as a lightweight toolkit for extensible, flow-based bioinformatics data-processing. The simplicity and flexibility of distributed PaPy pipelines may help users bridge the gap between traditional desktop/workstation and grid computing. PaPy is freely distributed as open-source Python code at <url>http://muralab.org/PaPy</url>, and includes extensive documentation and annotated usage examples.</p

Towards Collaborative Scientific Workflow Management System

The big data explosion phenomenon has impacted several domains, starting from research areas to divergent of business models in recent years. As this intensive amount of data opens up the possibilities of several interesting knowledge discoveries, over the past few years divergent of research domains have undergone the shift of trend towards analyzing those massive amount data. Scientific Workflow Management System (SWfMS) has gained much popularity in recent years in accelerating those data-intensive analyses, visualization, and discoveries of important information. Data-intensive tasks are often significantly time-consuming and complex in nature and hence SWfMSs are designed to efficiently support the specification, modification, execution, failure handling, and monitoring of the tasks in a scientific workflow. As far as the complexity, dimension, and volume of data are concerned, their effective analysis or management often become challenging for an individual and requires collaboration of multiple scientists instead. Hence, the notion of 'Collaborative SWfMS' was coined - which gained significant interest among researchers in recent years as none of the existing SWfMSs directly support real-time collaboration among scientists. In terms of collaborative SWfMSs, consistency management in the face of conflicting concurrent operations of the collaborators is a major challenge for its highly interconnected document structure among the computational modules - where any minor change in a part of the workflow can highly impact the other part of the collaborative workflow for the datalink relation among them. In addition to the consistency management, studies show several other challenges that need to be addressed towards a successful design of collaborative SWfMSs, such as sub-workflow composition and execution by different sub-groups, relationship between scientific workflows and collaboration models, sub-workflow monitoring, seamless integration and access control of the workflow components among collaborators and so on. In this thesis, we propose a locking scheme to facilitate consistency management in collaborative SWfMSs. The proposed method works by locking workflow components at a granular attribute level in addition to supporting locks on a targeted part of the collaborative workflow. We conducted several experiments to analyze the performance of the proposed method in comparison to related existing methods. Our studies show that the proposed method can reduce the average waiting time of a collaborator by up to 36% while increasing the average workflow update rate by up to 15% in comparison to existing descendent modular level locking techniques for collaborative SWfMSs. We also propose a role-based access control technique for the management of collaborative SWfMSs. We leverage the Collaborative Interactive Application Methodology (CIAM) for the investigation of role-based access control in the context of collaborative SWfMSs. We present our proposed method with a use-case of Plant Phenotyping and Genotyping research domain. Recent study shows that the collaborative SWfMSs often different sets of opportunities and challenges. From our investigations on existing research works towards collaborative SWfMSs and findings of our prior two studies, we propose an architecture of collaborative SWfMSs. We propose - SciWorCS - a Collaborative Scientific Workflow Management System as a proof of concept of the proposed architecture; which is the first of its kind to the best of our knowledge. We present several real-world use-cases of scientific workflows using SciWorCS. Finally, we conduct several user studies using SciWorCS comprising different real-world scientific workflows (i.e., from myExperiment) to understand the user behavior and styles of work in the context of collaborative SWfMSs. In addition to evaluating SciWorCS, the user studies reveal several interesting facts which can significantly contribute in the research domain, as none of the existing methods considered such empirical studies, and rather relied only on computer generated simulated studies for evaluation

Using the Business Process Execution Language for Managing Scientific Processes

This paper describes the use of the Business Process Execution Language for Web Services (BPEL4WS/BPEL) for managing scientific workflows. This work is result of our attempt to adopt Service Oriented Architecture in order to perform Web services – based simulation of metal vapor lasers. Scientific workflows can be more demanding in their requirements than business processes. In the context of addressing these requirements, the features of the BPEL4WS specification are discussed, which is widely regarded as the de-facto standard for orchestrating Web services for business workflows. A typical use case of calculation the electric field potential and intensity distributions is discussed as an example of building a BPEL process to perform distributed simulation constructed by loosely-coupled services

On the construction of decentralised service-oriented orchestration systems

Modern science relies on workflow technology to capture, process, and analyse data obtained from scientific instruments. Scientific workflows are precise descriptions of experiments in which multiple computational tasks are coordinated based on the dataflows between them. Orchestrating scientific workflows presents a significant research challenge: they are typically executed in a manner such that all data pass through a centralised computer server known as the engine, which causes unnecessary network traffic that leads to a performance bottleneck. These workflows are commonly composed of services that perform computation over geographically distributed resources, and involve the management of dataflows between them. Centralised orchestration is clearly not a scalable approach for coordinating services dispersed across distant geographical locations. This thesis presents a scalable decentralised service-oriented orchestration system that relies on a high-level data coordination language for the specification and execution of workflows. This system’s architecture consists of distributed engines, each of which is responsible for executing part of the overall workflow. It exploits parallelism in the workflow by decomposing it into smaller sub-workflows, and determines the most appropriate engines to execute them using computation placement analysis. This permits the workflow logic to be distributed closer to the services providing the data for execution, which reduces the overall data transfer in the workflow and improves its execution time. This thesis provides an evaluation of the presented system which concludes that decentralised orchestration provides scalability benefits over centralised orchestration, and improves the overall performance of executing a service-oriented workflow

Workflow Engineering in Materials Design within the BATTERY 2030+ Project

In recent years, modeling and simulation of materials have become indispensable to complement experiments in materials design. High-throughput simulations increasingly aid researchers in selecting the most promising materials for experimental studies or by providing insights inaccessible by experiment. However, this often requires multiple simulation tools to meet the modeling goal. As a result, methods and tools are needed to enable extensive-scale simulations with streamlined execution of all tasks within a complex simulation protocol, including the transfer and adaptation of data between calculations. These methods should allow rapid prototyping of new protocols and proper documentation of the process. Here an overview of the benefits and challenges of workflow engineering in virtual material design is presented. Furthermore, a selection of prominent scientific workflow frameworks used for the research in the BATTERY 2030+ project is presented. Their strengths and weaknesses as well as a selection of use cases in which workflow frameworks significantly contributed to the respective studies are discussed