1. NCSU-1V1/26-Mar-021 Context-sensitive Service Composition for Support of Scientific Workflows Mladen A. Vouk North Carolina State University, Raleigh, NC

2. NCSU-2V1/26-Mar-022 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

3. NCSU-3V1/26-Mar-023 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.)

4. NCSU-4V1/26-Mar-024 (In)efficient End-User Apps Data and Compute Communications OS

5. NCSU-5V1/26-Mar-025 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

6. NCSU-6V1/26-Mar-026 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.”

7. NCSU-7V1/26-Mar-027 Architecture PARTICIPANT A PARTICIPANT B PARTICIPANT C GENES PHY’S BIO UDDI HUMAN CLIENT WORKFLOW COMPOSITION & INTERFACES AGENT SERVICE AGENT SERVICE AGENT SERVICE All participants register their services Directly connect to uddi registry Service & Context Gateways and Multiplexers e.g., Iflow, JavaAgent e.g., UDDI, NCBioGrid, WLS, IPPhones, H323Video Vipar GenBank,BioNews

8. NCSU-8V1/26-Mar-028

9. NCSU-9V1/26-Mar-029

10. NCSU-10V1/26-Mar-0210 Service Agent - Example DESCISION MODULE MESSAGING SYSTEM POLICY Remote APP’S OBJECT INCOMING MESSAGES WSDL and/or ASDL method, access, behavior Publishing (e.g., in UDDI) SOAP Interface Site specific Human and agents should be able to consume published services. Workflow and pipeline are ways to consume services

11. NCSU-11V1/26-Mar-0211 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.

12. NCSU-12V1/26-Mar-0212 Composition AS1:S1 AS1:S2 AS2:S1 AS3:S2 WORKFLOW AS1:S1AS2:S1AS2:S2AS3:S2 AS1 AS2AS3 S1 S2S1S2S1S2 PIPELINE PIPELINE AND WORKFLOW Synch, Asynch Differing time scales

13. NCSU-13V1/26-Mar-0213 UDDI AT SDM4 SDM Interface to construct user Workflows. (prot—iFlow In progress) Services registered With UDDI at sdm4. 99-sdm category 991- vipar news 992- vipar genes 993- Data Serv 994- Analysis Serv Menu to select data services Menu to select analysis services Menu to select Vipar services Browser DB2 Database on sdm4 Vipar server For news Vipar server For bioinfo WWW Db2xml wrapper Getting details Details returned Selected options are queried to the UDDI Populate menus with the service details Connect to vipar using RMI Service 1 Service n Service m Description of available services at sdm4 UDDI using WSDL, XML or HTML. Invoke any of the registered services Download To local system Invoke services Invoke service Current Framework

14. NCSU-14V1/26-Mar-0214 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.

15. NCSU-15V1/26-Mar-0215 Intial Project Architecture and Prototypes df PDB XML Wrapper XML Wrapper VIPAR XML Wrapper API Integration component / KB-Mediator (KBM) Query Dispatch and Collection (QDaC) CM Wrapper CM Wrapper CM Wrapper Source / Agent MetaData Registry XWRAP Wrapper Generator XQuery (subsets e.g. Sel/Proj) : Bio XML Wrapper External Program XQuery interface Select/project only if invoked, pre-processes query parameters and post-processes results

16. NCSU-16V1/26-Mar-0216 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?

17. NCSU-17V1/26-Mar-0217

18. NCSU-18V1/26-Mar-0218 Prototypes VIPAR - GenBANK VIPAR - GenNEWS Other GENES News BIO UDDI David, ChiChi WORKFLOW COMPOSITION & INTERFACES AGENT SERVICE AGENT SERVICE All participants register their services Directly connect to uddi registry Service & Context Gateways and Multiplexers UDDI, WLS, IP-phones, H323 Video NC BioGrid Iflow, JavaAgentEm