Context-sensitive Service Composition for Support of Scientific Workflows

1. Context-sensitive Service Composition for Support of Scientific Workflows Mladen A. Vouk North Carolina State University, Raleigh, NC V1/26-Mar-02

2. Team System Engineering and Software • Prof. Mladen Vouk (scientific workflows, middleware, networks) • Sandeep Chandra, MS candidate (system, middleware) • Zhengang Cheng, PhD candidate (agents, protocols, services, workflows) • Prof. Munindar Singh (agents, workflows, data-bases) Domain-Specific Workflows • Prof. Donald Bitzer (signal analysis, coding theory) • E. Eni-May, PhD candidate (bioinformatics, coding-theory) • Dr. David Rosnick (bioinformatics, entropy analysis) • Prof. Anne Stomp (genetic engineering) Coordination (Dr. T. Critchlow + others) • Dr. Tom Potok (project coordination, software) • Other ORNL project scientists V1/26-Mar-02

3. Philosophy? • Human-centric workflow support (appliance-like) – case study Bioinformatics • Service-oriented (distributed and diverse data access, storage, manipulation, analysis, and display, grid-based computing, end-user profile services, quality of service) • Context-sensitive (end-user presence, location, expertise, access and interaction permissions, domain translation, p2p communications, etc.) V1/26-Mar-02

4. (In)efficient End-User Apps OS Communications Data and Compute V1/26-Mar-02

5. Example Workflow – Top Level Input (select, slice and dice data): • Obtain 3' end 16/18S ribosome for selected organism • Obtain sequences of mature mRNA for organism (or DNA if unavailable) Process (model, compare, display, etc.): • Compute free energy bindings between 3' end of 16/18S rRNA and mRNA • Train decision mechanism based on subset of mRNA sequences • Perform signal analysis on remaining (or newly requested) binding sequences to determine efficiency Output and analyze efficiency/signal model/data • Review results and compare to published efficiency/frameshift data (e.g., Nucleic Acids Research, J. Molecular Biology) • Evaluate theory in light of information theory (Shannon, Schnieder V1/26-Mar-02

6. How? • Domain-adequate computer-human interfaces • Personalizing context/knowledge gateways • Domain-aware workflow construction (service discovery, composition, invocation, agents, protocols) • Adequate and seamless services, service registration and exchange gateways (move away from bring/cook-your-own service approach). • Adaptive (policy-based) quality of service control and management all along the “service stack.” V1/26-Mar-02

7. e.g., UDDI, NCBioGrid, WLS, IPPhones, H323Video Architecture Service & Context Gateways and Multiplexers All participants register their services UDDI e.g., Iflow, JavaAgent PARTICIPANT A WORKFLOW COMPOSITION & INTERFACES AGENT SERVICE GENES PARTICIPANT B Directly connect to uddi registry AGENT SERVICE PHY’S HUMAN CLIENT PARTICIPANT C AGENT SERVICE BIO V1/26-Mar-02 Vipar GenBank,BioNews

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10. Service Agent - Example SOAP Interface DESCISION MODULE MESSAGING INCOMING MESSAGES APP’S SYSTEM Site specific WSDL and/or ASDL method, access, behavior Publishing (e.g., in UDDI) Remote POLICY OBJECT Human and agents should be able to consume published services. Workflow and pipeline are ways to consume services V1/26-Mar-02

11. What is a Service? • A service is an entity that can receive service request and respond/deliver within a time, cost, reliability, security, etc., frame acceptable to the end-user. The service may be presented in the form of an intelligent agent, or simply as a servlet. • The service provides access to its data, methods, and tools, etc., which usually is the property of a particular organization. • In the original "Data Integration Architecture", the CM Wrapper and XML Wrapper represent a service, and provide services to other services. Here they are viewed as independent services that possess Intelligence. V1/26-Mar-02

12. Composition Synch, Asynch Differing time scales AS1 AS2 AS3 S2 S1 S2 S1 S2 S1 AS1:S1 AS2:S1 AS2:S2 AS3:S2 PIPELINE WORKFLOW AS1:S2 AS3:S2 AS1:S1 AS2:S1 PIPELINE AND WORKFLOW V1/26-Mar-02

13. Current Framework WWW Vipar server For news Vipar server For bioinfo UDDI AT SDM4 Getting details Connect to vipar using RMI Details returned Populate menus with the service details Services registered With UDDI at sdm4. 99-sdm category 991- vipar news 992- vipar genes 993- Data Serv 994- Analysis Serv Selected options are queried to the UDDI Menu to select data services Menu to select analysis services Menu to select Vipar services Invoke services Invoke services SDM Interface to construct user Workflows. (prot—iFlow In progress) Description of available services at sdm4 UDDI using WSDL, XML or HTML. Browser Browser Db2xml wrapper Invoke service Invoke any of the registered services DB2 Database on sdm4 Download To local system Service 1 Service n Service m V1/26-Mar-02

14. Support • CVS is version control system for our developments. It is used to share data and software. • Eclipse is a Java IDE from IBM, available from www.eclipse.org. It has seamless integration with CVS repository and provides an integrated debugging environment. V1/26-Mar-02

15. ExternalProgram Intial Project Architecture and Prototypes if invoked, pre-processes query parameters and post-processes results Query Dispatch and Collection (QDaC) XML Wrapper XQuery (subsets e.g. Sel/Proj) : API Bio VIPAR Integration component / KB-Mediator (KBM) XML Wrapper CM Wrapper PDB CM Wrapper XML Wrapper XML Wrapper df CM Wrapper Source / Agent MetaData Registry XQuery interface Select/project only XWRAP Wrapper Generator V1/26-Mar-02

16. Things to Do? • Cast the amazing array of tools and software scientists use as services, catalogue it and define/improve interfaces, and ease – focus on What rather than How (from user perspective). • Create context gateways that will coordinate domain-specific interactions and services and help in creation of efficient workflows. • NCSU specific, we plan to have a fully working prototype in place in the next 6 month period. • Suggestions? V1/26-Mar-02

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18. UDDI, WLS, IP-phones, H323 Video NC BioGrid Prototypes Service & Context Gateways and Multiplexers All participants register their services Iflow, JavaAgentEm UDDI VIPAR - GenBANK WORKFLOW COMPOSITION & INTERFACES AGENT SERVICE GENES VIPAR - GenNEWS Directly connect to uddi registry AGENT SERVICE News David, ChiChi Other BIO V1/26-Mar-02