1 CCPE09v3 first complete draft CONCURRENCY AND COMPUTATION: PRACTICE AND EXPERIENCE Concurrency Computat.: Pract. Exper. 2000; 00:1–6 Towards Open Science: The myExperiment approach D. De Roure*, Carole Goble†, Sergejs Aleksejevs†, Sean Bechhofer†, Jiten Bhagat†, Don Cruickshank*, Duncan Hull†, Yuwei Lin†, Danius Michaelides*, David Newman*, Rob Procter† * School of Electronics and Computer Science, University of Southampton, Southampton SO17 1BJ, UK. † School of Computer Science, The University of Manchester, Manchester M13 9PL, UK SUMMARY (placeholder mashed from original MS paper and structure of this one) myExperiment has set out to provide the social software and services to support the scientific process, focusing on the ‘time to experiment’ phase of the scholarly knowledge cycle rather than the data deluge from new experimental techniques. In the context of open science this phase is also experiencing a deluge of scientific objects – not just data but protocols, methods and the new artefacts of digital science such as workflows, provenance records and ontologies. myExperiment has demonstrated the role of a social web site in addressing this challenge. In this paper we describe how myexperiment facilitates the management and sharing of research workflows, supports a social model for content curation tailored to the scientist and community, supports open science by exposing content and functionality into the users’ tools and applications, and establishes a more general notion of Research Object and the eLaboratory. KEY WORDS: Scientific Workflow, Virtual Research Environment, web 2.0, Open Repositories, Data Curation 1. INTRODUCTION While the computer science community has focused on accelerating processing, if we are to accelerate time to discovery then our research effort needs to look at ‘accelerating’ the human part of the discovery cycle. Scientific advance relies on a social process in which scientists share hypothesis, insights and results, and the data and methods that support these. Traditionally scholarly discourse and dissemination has focused around the publication of peer reviewed articles, mediated by the scholarly publishing process and established structures such as conferences. However, the scientific process (figure 1) has many other opportunities for supporting acceleration. The systematic publication of primary and secondary data sets, along with standard metadata sufficient to support their interpretation, is now becoming an accepted, or at least expected, practice, although the tying together published results with the data that upon which they are based is still poorly supported [ref]; Algorithms, software tools and scripts – published through libraries and Web sites. This includes community services such as the nanoHUB gateway, which hosts user-contributed resources in the nanotechnology domain, and OpenWetWare which provides an exchange for techniques in biological sciences; Data and algorithms commonly accessible using the Web as dissemination distributed applications platform through web services or web servers [ref]. There are now tens of thousands of publically available web services across business and science. Scientists need to share (and find) not just the digital materials of scientific research but also the digital methods and processes: the protocols, plans, and standard operating procedures of bench science and the scripts, workflows and provenance records of e-Science. Methods are scientific commodities in their own right, with 2 CCPE09v3 first complete draft Figure 1: Acceleration in the open science lifecycle (Cameron Neylon) Not sure we have space for this associated intellectual property, metadata, and life cycles; and as with data and articles, subject to their own forms of authorship, credit and reuse criteria. By pooling and sharing methods we have the potential to accelerate science by pooling and sharing knowhow and best practice, avoiding reinvention and hence reducing time-to-experiment [ref] amongst decoupled communities of scientists who are not organized into predetermined Virtual Organisations. Scientific workflows, for example, are often complex and challenging to build, and can require specialist expertise that is hard-won and may be outside the skill-set of those who need [ref CCPE reuse paper]. The workflows in [trps] took a bioinformatics expert six months and over 40 versions to develop; however, once developed they were immediately reusable by other, perhaps less experienced, e-Scientists accelerating their research [ref]. By combining methods with results we can accelerate discovery by enabling transparent, comparable and reproducible science [ref]. By packaging and aggregating methods with data, results tutorials, simulations, logs, tags, experts, members, groups - any form of digital research object - sharing these across applications as publication units we can work towards an open e-Laboratory that is outside any specific application. Research objects are coupled with a research objective or designed to support a research process are intended to capture a scientific investigation or research question and are expected to be reusable, repeatable, and replayable. A data and method deluge demands new techniques, especially in the context of open science. The new instrument that we bring to bear on this challenge is provided by society itself – it is the scale of community participation and the network effects that this brings. This instrument offers new ways of tackling difficult challenges; for example, the ‘decay’ over time of research objects can be addressed by community curation. Accelerating time to experiment requires social infrastructure for open science. There is great potential in providing social tools to support the scientific process and the sourcing, sharing and continued curation of scientific research objects [wikinomics article]. This is possible because increasingly the various research objects are born or available digitally. Scientists are just beginning to use blogs, wikis and social networks to facilitate more rapid and immediate sharing of research, a phenomenon sometimes characterised as Science 2.0 [ref, ref]. The Open Science movement [ref], though currently niche, vocally advocates the large scale, open distributed collaboration is enabled by making data, methods and results freely available on the Web. By adopting social content sharing tools for research object repositories we can harness a social infrastructure that enables social networking around scientific objects and provides community support for social tagging, comments, ratings and recommendations and social network analysis and reuse mining (what is used with what, for what and by whom), and remixing of new research objects from previously deposited ones. We can take advantage of popular and familiar user interfaces of social content sharing sites such as Flickr, YouTube and Slideshare [refs]. By adopting an open, extensible and participative development environment for research object repositories functionality can become readily available for reuse by others and draw on other services as much as possible. We should not oblige the scientist to come to a repository, but rather make it as easy as 3 CCPE09v3 first complete draft possible to bring the content to the scientist’s own environment. This is essential for adoption [ref], which in turn is essential to build a community and catalyse community network effects. Open science is thus the process of opening up content (sharing research objects in controlled and appropriate ways) and opening up applications (sharing research objects and the functionality of their repositories with applications). myExperiment [ref] is a socially-sourced content repository that supports the sharing and curating of research objects used by scientists, specifically focused on scientific workflows and experiment plans. For researchers it provides a social infrastructure that encourages sharing and a platform for conducting research, through familiar user interfaces. For developers it provides an open, extensible and participative environment. The production team is made up of software developers, scientific informaticians from a range of disciplines and social scientists. Launched in November 2007 and built using Web 2.0-style social networking approaches according to Web 2.0 design principles [ref]. myExperiment: Facilitates the management and sharing of research workflows. The public repository (myexperiment.org) has established a significant collection of scientific workflows, spanning multiple disciplines (biology, chemistry, social science, music, astronomy) and multiple workflow systems, which has been accessed by over 16,000 users worldwide. At the time of writing 1 the public site has over 600 different workflows (200+ versions), drawn from XX workflow management systems including Taverna, Kepler, Triana, Trident, etc etc). There are 1600 registered users. How many plans? Include the notion of Objects here, and Packs here as the start of objects. In section 2 we introduce myExperiment, briefly present our development methodology, highlight the characteristics of workflows and other forms of methods such as plans and standard operating protocols that influence us and compare our work with other method repositories. Supports a social model for content curation tailored to the scientist and community. Producers of research objects should have incentives to make them available and consumers need to be able to discover and reuse them; all will benefit from self- and community-curation. myExperiment is a fruitful environment in which to study its use by social scientists which has revealed shortcomings and issues to address and steered development. In section 3 we describe the social model that myExperiment implements and discuss it in practice as identified by a user study that has shadowed and steered the development of the repository. In particular we show that the content is roughly split into a market and a toolbox; and that sharing is desirable and possible but anonymous reuse is difficult. We compare our social content approach to other content services in science and outside science. Supports open science by exposing its content and functionality into the users’ tools and applications and absorbing other interfaces. myExperiment provides an open, extensible environment to permit ease of integration with other software, tools and services, and benefit from participative contribution of software. In contrast to social web sites like Facebook and mySpace, developers can download, reuse and repurpose myExperiment itself, and the codebase is evolving as it is used across multiple projects. In section 4 we show how, by exposing the myExperiment functionality, new interfaces have been built and existing interfaces have incorporated myExperiment functionality, including plug-ins to the Taverna workbench, Facebook applications, an iGoogle gadget-based research dashboard and a Silverlight interface, and Chemistry Electronic Lab Notebooks and ‘blogging the lab’ [ref]. Establishes the more general notion of Research Object and the e-Laboratory. In section 5 we discuss how myExperiment is a first step towards a general notion of Research Object, which captures aggregations of objects and also encompasses the other forms of data in myExperiment, and is the part of a greater vision of interoperable e-Laboratories. We describe how myExperiment makes Research Objects accessible and actionable beyond the core repository. Our Research Objects are represented in RDF and we have developed a myExperiment ontology which uses Dublin Core metadata for research objects and FOAF for the social network information. To interwork with other repositories we adopted the Object Reuse and Exchange representation from the Open Archives initiative, which is based on named RDF graphs. We envisage that the scholarly publishing process will evolve to support this more general notion of scientific research object, which will facilitate reusable and reproducible research. What is the appropriate related work? myExperiment is an important component in the revolution in creating, sharing and publishing scientific results, and has already established itself as a valuable and unique repository with a growing international presence. It demonstrates the success, and exposes the challenges, of blending modern social curation methods with the 1 25th March 2009 4 CCPE09v3 first complete draft demands of researchers sharing hard-won intellectual assets and research works within a scholarly communication lifecycle. We close in Section 6 with discussion and future work. 2. MYEXPERIMENT – A WORKFLOW REPOSITORY Duncan – can you provide material on other repositories like pipeline pilot please? introduce myExperiment, briefly present our development methodology, highlight the characteristics of workflows and other forms of methods such as plans and standard operating protocols that influence us and compare our work with other method repositories. The Web provides a platform for delivering not just documents and data but also services which support the research process. Scientific workflows are the means to compose these, providing descriptions of processes that specify the co-ordinated execution of multiple tasks so that, for example, data analysis and simulations can be repeated and accurately reported. Alongside experiment plans, Standard Operating Procedures and laboratory protocols, automated workflows are one of the most recent forms of scientific digital methods, and one that has gained popularity and adoption in a short time [1]. They represent the methods component of modern research and are valuable and important scholarly assets in their own right. There are many different workflow systems, each providing its own representation of the workflow descriptions and environment for executing the workflows. For example Taverna and Trident. The myExperiment repository was motivated by observing a clear need to share workflows, and also by a frustration with existing systems which missed the social dimension, merely making things available rather than encouraging and controlling sharing and presented complex user interfaces out of line with the popular web sites that people are using on an everyday basis, thereby demanding further skill. The motivation and rationale for the myExperiment project is discussed in detail in [4-5] and the design principles in [6]. Crucially we focused on the user experience, providing an attractive and immediately understandable web interface that uses the metaphors and behaviours of popular tools used in everyday life. It is immediately familiar to a new generation of students and researchers. Figure 2: The myExperiment social website myExperiment provides the familiar features of a social website, closely tailored to the needs of researchers: Notification about recent activity in the online community and the research objects that they share Management of the social network through friendships and groups. There is fine control over the privacy and sharing of Research Objects within the network. Discovery, uploading and execution of workflows, and management of the essential extrinsic information and ‘social metadata’ such as licence, tags, sharing, ratings. Credits and attributions are an essential feature to support flow of rights and reputation. Creation of packs of digital items, which can be tagged and shared like individual items. 2.2 Architecture The architecture of one instance of myExperiment is shown in Figure 3. 5 CCPE09v3 first complete draft Figure 3: The myExperiment architecture In line with our open environment capability, the database server, search server and external workflow enactors are all separate systems to which the main application connects. The interfaces are accessed via a web server that handles load balancing over a cluster of mongrel application servers. Ultimately scalability will also be achieved by federating multiple instances of myExperiment. myExperiment, which is released under the BSD licence, is built in the Ruby on Rails web application framework and follows the Model View Controller abstractions set out in Rails. By keeping with the architectural design of Rails we were able to leverage many of its capabilities to build features for users rapidly. The database server, search server and external workflow enactors are all separate systems with simple interfaces to which the main application connects. Various mechanisms for authentication are provided based on the interfaces used; for example, for end users, authentication can be via external OpenID services. The agile ‘perpetual beta’ development process [8] requires frequent updates to be rolled out to the main myExperiment.org service. This is aided by maintaining a separate server for final testing of code, which allows preview and test of new features and checking for performance regressions with automated tools. A test server containing a recent snapshot of the public data from the live site is also provided to developers writing applications that make use of the myExperiment API. 2.3 Related Work Duncan check here please Workflow management systems already make workflows available for sharing, through repository stores for workflows developed as part of projects or communities. Unlike myExperiment, they are tied to a particular type of workflow and do not offer programmatic access to the workflows. For example, the Kepler Hydrant (www.hpc.jcu.edu.au/hydrant) is a site (under development) for sharing Kepler workflows. It supports workflow execution and allows users to assign permissions to other users. Inforsense’s commercial Customer Hub (www.chub.inforsense.com) has the ambition of enabling Inforsense workflow users to share best practices and leverage community knowledge. However, it does not rely on the social model. Galaxy (galaxy.psu.edu) provides a public site where biologists can run analyses and for developers it provides an open-source framework for tool and data integration. It does not provide social infrastructure to support sharing of workflows. Social networking sites such as Facebook (www.facebook.com) do not support research objects, and the handling of attribution and licensing may not be adequate for scientists. Facebook supports the development of plug-in applications. Similarly, science-specific social networks, like Epernicus (www.epernicus.com) only support the social part of the VRE function. The research objects of OpenWetWare (openwetware.org) are 6 CCPE09v3 first complete draft protocols used in biology labs and, through use of a wiki, OpenWetWare supports the social model and open environment. However, it does not itself intend to be a platform for conducting computationally-intensive research. Finally, Nanohub (www.nanohub.org) is a good example of a VRE that takes a portal approach. It focuses on the nanotechnology domain and provides web-based resources for research, education and collaboration. It also provides simulation tools that can be accessed from the browser. In terms of social infrastructure it provides workspaces, online meetings and user groups. In contrast, myExperiment deliberately set out to build a Web 2.0 site which would be familiar to users, choosing a Web application framework (Ruby on Rails) rather than a portal framework. It offers a rich API and remote execution. myExperiment is designed to provide services to a portal and also to be used as a Web 2.0 ‘skin’ over existing portal services. 3. SUPPORTING SOCIAL CONTENT AND COLLABORATIVE CURATION Dan’s stats are in this section Rob and Yuwei’s words are in this section In section 3 we describe the social model that myExperiment implements and discuss it in practice as identified by a user study that has shadowed and steered the development of the repository. In particular we show that the content is roughly split into a market and a toolbox; and that sharing is desirable and possible but anonymous reuse is difficult. We compare our social content approach to other content services in science and outside science. myExperiment is distinctive because it majors on the social dimension, and it can itself be seen as an experiment to explore whether scientific communities share sufficiently in order to benefit from the network effects of a social web site. To support producers of research objects in contributing to myExperiment we provide members of the site with support for credit and attribution, and fine control over the visibility and sharing of research objects. Early user feedback revealed this to be the most critical factor in making a social web site acceptable for use by scientists. Other members of the site ‘consuming’ the research objects can view, download, tag, review and ‘favourite’ them, which aids their discovery and enhances reputation of the producers. Additionally, content exposed publicly is discoverable through search engines. Unless they are maintained, workflows and other research objects can cease to be reusable over time –they effectively ‘decay’, though in fact it is their context that is changing. For example, a recent change in gene identifiers by one service provider led to a myExperiment announcement for users of the affected workflows. Useful workflows will be curated by the community that uses them, and the original authors are also encouraged to curate because they are getting credit for use of their work. Workflow decay is a difficult problem and myExperiment provides a new approach through community curation. Link paragraph...How do we measure this...usage stats, and talking to users. 3.1 Analysis of Usage Placeholder for latest stats – Danius to update Analysis of myExperiment.org usage statistics over the period January-July 2008 demonstrates: (i) a rapidly growing community, (ii) extensive use of contributed research objects and (iii) the development of social groups. (i) Community size. At the time of writing, myExperiment.org has 1051 activated accounts. There has been a steady growth in the user base during 2008, with about 10-20 new users registering a week. Spikes in registrations are due to Taverna workshops that use myExperiment to host their tutorial materials and conferences. 38% of the registered users are regular visitors. In a seven month period the site received approximately 60000 page views in 13500 visits by 8581 unique visitors. The figures are collected using Google Analytics and do not include accesses made via the API. It is interesting to note that the number of unique visitors is much larger than the number of registered users This suggests that the publicly visible content on the site is of value to a wider audience. There are XX workflows and a further XXXworkflows that are revised versions. Workflows were downloaded a total of 50934 times, with three workflows commanding over a 1000 downloads each. In terms of permissions, 280 (85%) of the workflows are publicly visible whereas 252 (76%) are publically downloadable. 40% of the workflows with restricted access are entirely private to the user and for the remaining the user has elected to share with individual users and groups. 36 workflows (over 10%) have been shared with the owner granting edit permissions to specific users and groups. In addition there are 53 instances where users have noted that a workflow is based on another workflow on the site. This indicates that the site is supporting collaboration amongst its users and that they are willing to contribute derived works. 3.2 Research Methods 7 CCPE09v3 first complete draft Rob’s words start here It is important to investigate how researchers actually make use of innovative tools such as myExperiment, to explore participatory patterns and cultures, how these shape the ways in which scientific knowledge is crafted and communicated and to use the insights gained to help myExperiment adapt to users’ needs. Here, we present evidence from an ongoing investigation of myExperiment users’ workflow sharing and re-use practices, their motivations, concerns and potential barriers. We have been conducting a series of interviews with myExperiment users. The study has been designed not only to gather data about expectations and motivations as researchers join myExperiment but also to provide a longitudinal perspective over a period of 24 months which enables us to track myExperiment users’ attitudes and behaviour as they become more experienced. Interviewees are selected on the basis of myExperiment activity profiles, including workflows uploaded/downloaded; number of friends; group membership; group moderation and discipline. In total, we expect to conduct between 40-50 interviews with 25-30 respondents in 4-5 waves. In each wave, existing respondents have been re-interviewed and new respondents recruited. To date, we have conducted 34 interviews with 27 users through phone, instant messaging, via email and face-to-face. One user ahs been interviewed three times; five users interviewed twice, and the rest have been interviewed once. A summary is given in Table 1. Interviewees are recruited either via myExperiment or by snowball sampling (i.e., users suggested by interviewees). 3.3 Findings: Motivations for Being a myExperiment User All interviewees report using myExperiment for publishing and disseminating workflows: “The ability to be able to publish the workflows […] It’s much more convenient and more organised than just publishing the XML file on my research group’s site […] People who have the same interests or use the same components […] they’ll more likely to find it on myExperiment. So, basically, for things like dissemination it’s fantastic, makes it easy to point people out which I think it’s useful.” [Interviewer]: “So [publishing on myExperiment] is an alternative way of getting your work known? [Interviewee}: “Yes […] in the future, I’ll be writing several workflows. I’ll cite them and myExperiment URLs in the paper. It’s just a personal policy of mine. It’s a bit like gene or protein sequences: I submit my workflows.” Some interviewees express a more collaborative ethos: “When my solutions work, it would be great to share with others.” “[…] I have the feeling that there’s a better opportunity for sharing scholarly work in that way too.” Other interviewees are aware of the importance of ‘network effects’: “[…] we started to realise very quickly that it’s going to be the next kind of big area for different kinds of research […] many people say to us ‘hey, we’re using myExperiment. Can we have access to various different pieces?’” 1.3 Findings: Barriers and Enablers to Sharing Workflows Research domains have emerged as an important barrier to reuse of workflows. The responses of our sample of users suggest that workflows do not easily migrate across domains, reflecting, perhaps, distinctive ‘patterns’ to research processes in different domains. Many interviewees also commented that their research is relatively advanced or is too specialised for many workflows to be directly helpful to them. This may reflect that the myExperiment community is still evolving and, as yet, is populated by early adopters, such that effects normally attributable to social networks have yet to make themselves felt. Good documentation is accepted as a key requisite for facilitating sharing and re-use. From our interviewees’ comments, they are still learning what constitutes good documentation for workflow discovery and sharing: “It’s a compromise how much time a contributor would like to invest to make sharing workflow feasible. If I have to be honest, my own workflows are not documented properly either. My workflow is used by a small group of people. Once in a while when I present my work, that’s how they know how my workflow works.” “[…] it depends on how well people label various components. We’ve seen quite a few models with no descriptions of what input and output are, or what kind of format and what assumptions they made.” 8 CCPE09v3 first complete draft “The functionality is there, but […] people are being lazy or people don’t understand different ways they can put information in to make that available to other users […] people make too many assumptions over what anyone else knows about the system. It happens everywhere.” “[…] I found browsing for things to be one of the functionality areas I think need help because I find it difficult to find something […] some features that make it easier to find workflows would be useful.” “[…] you can start asking questions to collaborators […] there’s flexibility there but it’s something that can be improved […] it’s users rather than myExperiment’s fault.” Tagging is one example of how myExperiment users are grappling with establishing good documentation practice: “One of the issues we found is everyone kinds of puts things down as a text mining tag which is not very specific in order to get the different bits and pieces that we need. So users need to put in or people who actually put things there need to start considering how to label things in order to have them being found.” “I always think of tags as supplements for navigation because you can’t really rely on people conforming to tagging standard ways that other people doing it. So if it’s a low frequency tag you are not necessarily going to get everything even related to it.” “If they can make it easier to discover workflows, like better using the metadata, promoting users to use metadata, like a paper repository and then being able to search other things, that would be very helpful to me.” Our interviewees also reveal how myExperiment affords a social solution to the problems of incomplete documentation: “I included the workflow […] in the paper and […] on the myExperiment webpage there is also a link to the pape. That might be the reason for the spike of interest […] I had a few emails from people about how they can get this workflow […] they got in touch to know how the workflow worked. I put the extra instruction on my webpage […] they just need more help.” 3.4 Findings: Diverse Requirements for Sharing We can discern from our data two distinct myExperiment communities when it comes to workflow re-use. The community which we will refer to as workflow ‘consumers’ prefer larger workflows ready to be down loaded and enacted; the community of workflow ‘builders’ prefer smaller, modularisedb workflows which can be assembled and customised: “I upload the complete thing and I also upload its parts. The idea I have is that workflow creators will more look for components […]. As the end user you probably look for the larger workflows.” “A larger workflow might be too specific for my needs, it might be more worthwhile to look for the smaller parts, to adjust them to my needs. Things in bioinformatics are often so specific, it can be difficult to find the right thing, smaller things are easier to evaluate.” We might conclude that workflow consumers see myExperiment as a workflow ‘supermarket’; workflow builders see it as a ‘toolbox’. 3.5 Discussion The results of our study myExperiment users reflect a community in formation, whose members’ attitudes, intentions and expectations are diverse and evolving. As with any innovation, significant changes in attitudes, intentions and expectations are likely to occur as the activities of community members filter through the networks of relationships, reinforcing successful innovations and defining good practice. Such ‘social learning’ (Fleck, 1993; Williams et al., 2004) is an important tool for the diffusion of innovations; myExperiment, of course, is both the locus of the innovation and the platform for its diffusion. As yet, we have not found evidence of a major shift in research cultures and practices such that, for example, researchers are turning to unprompted and spontaneous collaboration through the sharing and re-use of artefacts. It is likely that, as we note above, it is simply too early for such behaviours to emerge. Rather, at present, a major motivation for researchers using myExperiment is to build ‘social capital’, among their peers. This may seem quite a modest aim when compared with the Open Science vision of accelerated time to discovery but it is not an insignificant step along the road to its realisation, Nor does it mean that sharing and re-use will not emerge as significant features of myExperiment users’ behaviour over time as they begin the master its challenges. Indeed, there is some evidence of workflow re-use, and rather more evidence of a desire to re-use. 9 CCPE09v3 first complete draft It is clear that one current inhibiting factor in the sharing of workflows is a lack of adequate documentation and, crucially, lack of understanding as to what constitutes good practice. Underpinning this, of course, is the problem of trust: “trust indicates a positive belief about the perceived reliability of, dependability of, and confidence in a person, object or process” (Fogg and Tseng, 1999). The question is what evidence would satisfy a potential workflow user that a particular workflow a) matches what they are looking for and b) that it works reliably? There are a number of different theoretical approaches to the study of trust (Axelrod, 1997; Kipnis, 1996; Luhmann, 1979; 1990), Luhmann suggests that most approaches fail to pay attention to “the social mechanisms which generate trust” (1990:95). The key point is that there is no single mechanism which, a priori, guarantees a solution. What is important, as we see from our study, is that there are a range of ‘trust affordances’ to hand when trust becomes a practical issue for myExperiment users. myExperiment facilitates social interaction, enabling users to switch relatively seamlessly from workflow to workflow author and back again. Our findings suggest that researchers will take time to adapt and possibly to redefine current practices for producing and documenting scientific knowledge such that these new practices are compatible with the sharing and re-use of new kinds of knowledge artefacts such as workflows. They also suggest that members of the myExperiment community are prepared to grapple with these challenges. Of course, such changes are likely to become feasible only when individual and community interests align. For example, a recent study of citations in cancer microarray clinical trial papers showed that those that were linked to publicly available microarray data received more citations (Piwowar, Day and Fridsma, 2007). There seems to us to be no prima facie reason why such behaviours should not apply to other kinds of research resource. In the meantime, what is important is that myExperiment is successful in growing a community of researchers and bootstrapping network effects and, in this respect, the evidence of usage is promising. 4. OPEN SCIENTIFIC PLATFORMS David Newman’s words are in this section Jits’ Silverlight words are in this section In section 4 we show how, by exposing the myExperiment functionality, new interfaces have been built and existing interfaces have incorporated myExperiment functionality, including plug-ins to the Taverna workbench, Facebook applications, an iGoogle gadget-based research dashboard and a Silverlight interface, and Chemistry Electronic Lab Notebooks and ‘blogging the lab’ [ref]. Intro paragraph needed... 4.1 API As well as bringing this capability to the user through the myExperiment interface, the API is designed so that developers are easily able to build ‘functionality mashups’ over myExperiment for rapid prototyping of tools to support researchers. These may be prescriptive interfaces for specific tasks, such as running preconfigured workflows. To support the open and extensible environment we provide data access using basic REST principles, and in line with the community we are increasingly adopting Atom as a means of delivering content and synchronising with peer services. These interfaces have wide adoption in the developer community. Though Ruby on Rails provides a mechanism for automatically providing REST access, we decided to manage the API separately so that we could respond to the requirements of API users, while also being independent of codebase evolution. Hence the REST API is driven by an XML specification that can be loaded and edited within Microsoft Excel. This allows us to create an independent API specification with the added benefit that it is in one place instead of spread across many model files. It also assists in generating documentation and tests. Given that control of visibility is crucial to myExperiment, we need a means of authenticated API access. This is achieved by using the OAuth protocol, whose purpose is not just to authenticate that a user has given a service consumer access to a service provider; it is a specific key that may have certain privileges assigned to it. With OAuth, a user can create several keys which could be used with one service, and each of those keys may have a different set of privileges. A developer community is growing up around the API: Developing new Interfaces. We have two exercises in building entirely new user interfaces to myExperiment’s functionality. Firstly we are using Silverlight to build a rich similarity search and socially-driven workspace mashup that uses the myExperiment API together with other common data sources like Google Search, Google Scholar, CiteULike, Connotea, PubMed and so on. Figure 1 shows how a user can initiate a search from the “Top Tags” cloud built from live myExperiment data. Secondly we have built Google Gadgets for 10 CCPE09v3 first complete draft myExperiment. Two of these are shown in Figure 2: the Tag Cloud gadget, and the Workflows Feed Reader gadget which shows the latest myExperiment workflows. Bringing myExperiment to existing interfaces. We have integrated with the Taverna workflow workbench by building a Taverna plugin for myExperiment, so that Taverna users can access the myExperiment capabilities from within the Taverna environment (figure 3). We are currently integrating with Microsoft’s Trident Scientific Workflow Workbench [6], and for this we have developed preliminary support in myExperiment for sharing Windows Workflow Foundation (WWF) workflows. Finally we are working in conjunction with our open science colleagues in chemistry to bring myExperiment together with work on Electronic Lab Notebooks and ‘blogging the lab’ [7]. Jits’s Silverlight words... Our close work with users on improving the usability of the myExperiment website has informed many complex requirements, one being the need for richer discovery tools. We explored the use of a Rich Internet Application (RIA) technology – Microsoft Silverlight – in developing a simple search mashup tool. Silverlight, in a similar vein to Adobe Flash, is an extension to the browser in which rich content and functionality can be provided to users. This goes beyond existing web standards with the disadvantage that users need to download additional software. Our search mashup presents a clean interface that allows a user to focus on discovery without being distracted by the other features of myExperiment. We have used the keyword search and tag cloud functionality (via the API) to allow discovery of all public content from the myExperiment.org repository. These include workflows, packs, files, groups and users. Users of the mashup can also preview each individual search result (either inline or in a popup). If interested they can then click through, which opens up the item in myExperiment (in a new browser window). Because it runs within a browser, the mashup can be hosted in one place and then be accessed just like any other web application. Our discussions with users suggest that rich mashups provide easy entry points to repositories like myExperiment and, by taking a task-oriented approach, allows users to focus on the task at hand. More complex and personalised workspace oriented applications could also provide useful interfaces in which scientists can carry out their work. 4.2 Publishing knowledge to the Web in RDF myExperiment's ability to share information is one of its key advantages when it comes to closing the experimental lifecycle loop. However it is important to consider the mechanisms for how this information is shared. The myExperiment RESTful API has already demonstrated how a machine-oriented sharing mechanism can allow the development of new interfaces in the form of "mashups" and "gadgets". The RESTful API although extensible is quite rigid and requires any linking-up to be performed client-side, RDF provides a framework so this can be executed server-side. myExperiment publishes all its public data as RDF at http://rdf.myexperiment.org/. RDF has a very simple subject-predicate-object (triple) structure that facilitates linking-up but these relationships can be formalized 11 CCPE09v3 first complete draft using a meta-structure provided by a schema or ontology. By formalizing, additional information can be inferred rather than having to define it explicitly. myExperiment uses a modularized ontology set to provide its formalization (http://rdf.myexperiment.org/ontologies/). The myExperiment ontology is modularized to promote reuse with each module designed for a specific sub-domain, e.g. types of annotation/contribution, attribution and creditation, packs, experiments, etc. As well as promoting reuse, the myExperiment ontology reuses parts of other ontologies/schemas: FOAF and SIOC for representing the social network Creative Commons for contribution licenses. Dublin Core for common metadata properties OAI-ORE for representing packs 4.3 Ontology Modules Architecture Through reuse it is possible to make some sense of myExperiment data outside its domain, allowing data from different sources to be collated. By making the myExperiment ontology reusable its saves reinvention and allows similar projects to map their data in the same way. Significant effort is being given to representing experiments and the data they produce in such a way that their insights can be shared across multiple fields. The Scientific Discourse subgroup of the W3C's Health Care and Life Sciences (http://esw.w3.org/topic/HCLSIG/SWANSIOC) has been considering how to reconcile a number of ontologies that treat experiments as first class objects. A SPARQL endpoint is a way of providing this server-side linking-up. By collating all myExperiment's RDF data in a single data structure, known as a triplestore, it is possible to provide a very flexible querying interface using the Semantic Web querying language SPARQL. myExperiment's SPARQL endpoint (http://rdf.myexperiment.org/sparql) allows the execution of simple queries that could be performed by a RESTful API call with the appropriate parameters, such as returning all the workflows uploaded by a specific user. However, if you wanted to further restrict that to those you had also commented on, the RESTful API would not be able to do this without additional functionality being added. SPARQL queries are essentially trying to map networks where one or more of the nodes or links are unknown. myExperiment's RDF provides a listing of components (sources, sinks processors and links) for Taverna workflows; SPARQL provides a facitlity for searching for workflows where these components link up in a specific user-defined way. This makes it possible to find a workflow that is much more tailored to a searcher's requirements, which becomes ever more important as the number of workflows grow. Returning SPARQL results is an appropriate format if this data is to be used within a Semantic Web application, however this is often not the case. Results may need to be ported in a more generic way or understood by a real person. The SPARQL endpoint allows results to be exported as comma-separated values (CSV) or visualized as an HTML table. Other more specific use cases have also arisen, in particular a capability to represent SPARQL queries that return mappings (e.g. between users who are friends) as a matrix that can be exported as CSV. It is important to understand that although RDF and SPARQL are Semantic Web technologies this should not prevent them from working seamlessly with applications that are not. 5. TOWARDS RESEARCH OBJECTS AND E-LABORATORIES Sean’s words are in this section In section 5 we discuss how myExperiment is a first step towards a general notion of Research Object, which captures aggregations of objects and also encompasses the other forms of data in myExperiment, and is the part of a greater vision of interoperable e-Laboratories. Our Research Objects are represented in RDF and we have developed a myExperiment ontology which uses Dublin Core metadata for research objects and FOAF for the social network information. To interwork with other repositories we adopted the Object Reuse and Exchange representation from the Open Archives initiative, which is based on named RDF graphs. We envisage that the scholarly publishing process will evolve to support this more general notion of scientific research object, which will facilitate reusable and reproducible research. What is the appropriate related work? 5.1 The e-Laboratory The e-laboratory or e-lab, is a set of integrated components that, used together, form a distributed and collaborative space for e-Science, facilitating the planning and execution of in silico experiments. An e-lab brings together people, materials and methods in order to support scientific investigation. Central to the idea of an e-lab is the Research Object (RO). Research Objects are conceptual objects that bring together resources used in scientific investigation. An RO is an aggregation of resources (data sets, analysis methods, workflows, results, people) that tells a particular story about an investigation, experiment or process. 12 CCPE09v3 first complete draft The Research Object captures key information about the lifecycle of the investigation (for example provenance information about analyses), facilitating reuse of results and repeatability of experiments. ROs are the work objects that are built, transformed and published in the course of scientific experiments. ROs form a common currency for e-lab infrastructure, with a particular e-lab being built from components and services that consume and produce ROs. ROs play a role both in driving the components and capabilities within an e-lab. For example, the internal structure of an RO can be used within a workbench to determine appropriate visualisation methods for the contents of the RO. ROs are not, however, simply internal to a particular e-lab platform -- they will also play a role in sharing/communicating not just between services and components within an e-lab, but also with other elabs (or e-labs services). The layered approach (see below) is key to achieving this, with services able to remain agnostic in the face of information they do not understand. 5.2 Repeat, Reuse, Replay An RO tells a story about an investigation. It provides not just an aggregation of resources, but additional information about the purpose, reason or rationale for the aggregation. ROs thus capture the investigation process. As an example, consider researchers working with survey data (for example, a researcher working within the Obesity e-Lab). Analyses on a complex survey may be encapsulated in statistical scripts, but those scripts are not generally associated with the data extraction process. As a result, the steps required to cut down and extract information from a data set before running the analysis can be forgotten. An RO that captures the entire process including hypothesis; data extraction; workflows used to analyse and transform data; and ultimately publication of results, supports the notion of repeatability, providing sufficient information for a third party to validate the investigation that has been performed. Another key characteristic of ROs is reusability. The myExperiment experience shows the benefits of publishing and sharing scientific workflows, where scientists can reuse and repurpose existing workflows. The use of ROs extends this further, bundling not just workflow but also data sets, intermediate results and hypotheses. Finally, ROs provide a facility for replay, allowing examination of the process undergone. Although related to repeatability, replay meets a different need. For example, replay of an RO can offer a coarser grained level of detail, showing the major steps undertaken during an experiment. For example, the use of Coverflow style previews in the Shared Genomics project [shared-genomics] allows replay of an investigation. 5.4 A Layered Architecture The Open Archives Initiative's Object Reuse and Exchange (OAI-ORE) [ore-model] provides a standard for the description and exchange of aggregations of Web resources. Research Objects provide an extension of ORE, with RO specific schemas or ontologies providing vocabulary to be used within instantiations of ORE. An upper level RO Model describes the common characteristics across ROs (e.g identifying key stages in the lifecycle of ROs as they move from a draft to published state), while specific RO Domain Schemas describe extensions to that vocabulary which are relevant to particular domains (e.g. identifying particular transformations that are performed on social scienc data sets). This layered approach (See Figure RO-layers) allows components to offer general RO functionality while remaining agnostic as to the domain specific content. Use of emerging standards such as ORE also facilitates interoperation between an e-lab and other digital repository infrastructure – examples include the JSTOR repository [vandesompel09:assets], while repository infrastructures including Dspace and Fedora are moving towards the support of OAI-ORE as an interchange format. 5.3 myExperiment Packs and publication of knowledge 13 CCPE09v3 first complete draft Nascent Research Objects are already present in myExperiment in the form of packs (or Encapsulated myExperiment Objects (EMOs) as referred to in earlier work). Packs allow the aggregation of heterogeneous content, and have been used to provide bundles of related workflows (along with additional documentation) for training purposes. Although packs support the collection of workflows with, for example, input data and service log invocations, the detailed relationships between the items, which forms an essential core of the Research Object notion is not explicitly represented. As discussed in Section 4, public information describing myExperiment objects, including the Pack structures is published as RDF data at http://rdf.myexperiment.org/. This publication of Pack information makes use of the OAI-ORE vocabularies and schemas, providing the layered approach as described above. In addition, the publication of data reuses other ontologies and schemas such as FOAF and SIOC for representing the social network; Creative Commons for contribution licenses and Dublin Core for common metadata properties. Again, this serves to increase interoperability and facilitates the consumption of myExperiment data in other applications. In [Barend Mons], the problem of "knowledge burying" is highlighted, where knowledge about investigations or experiments is published in paper form, and text mining techniques are required to extract this knowledge, leading to inefficient transfer of information (See Figure burying). A view of "Research Object as publication", packaging and associating data, results and methods as part of the publication process helps to overcome some of these issues by ensuring that information and knowledge is not lost during that publication process. 5.5 Biocatalogue Agreed on chat this will be worked inline more pervasively – important because part of service approach and social curation story Although the services available are well defined from a protocol and structural point of view, they are often poorly described in their usage and with very little documentation available on the internet. Much of the knowledge and information on the use of services is captured within the minds of the bioinformaticians and in the scientific workflows that utilise the services. There is a severe need to capture this knowledge and allow professional and community curation on it. BioCatalogue provides an actively curated and centralised registry of Web services. Scientists can use and rely on BioCatalogue as a starting point in discovering what services they can utilise in their work. BioCatalogue aims to support users in the whole lifecycle from service discovery to service usage. Whilst myExperiment is a repository of scientific research objects BioCatalogue is a registry, where rich and accurate descriptions; loose and semantic tagging; and in depth examples add the most value. Monitoring and recording service availability is another key factor in assessing the usability of web services and adds significant value to the discovery process. Social curation is a major challenge in an environment where many different types of stakeholders exist - from service providers, service developers, end users and professional curators. The design of the technical functionality requires careful understanding of the different tensions between and priorities of these stakeholders. We ensure that the BioCatalogue does not endorse any negative community feedback but that we facilitate quality and expert curation from users and professional curators. This requires not only highly usable technical features and interfaces but policies need to be in place to allow transparency in how we handle situations of libel and such. Much like myExperiment, BioCatalogue is also a Web service itself, allowing other applications and clients (such as the Taverna workflow workbench) to bring the functionality to their users. By integrating BioCatalogue with myExperiment and other tools that scientists use, we bring BioCatalogue intrinsically into the user's work patterns and daily tasks, at the point of usage. This allows BioCatalogue to really add value to the user. The development of the BioCatalogue service follows many of the same principles and methodologies of the myExperiment project and there is significant overlap between the two projects - from code sharing, collaborative design and regular joint meetings. The release cycle (driven by a perpetual beta process) and development environment match with myExperiment and we take the same user-driven design and development approach, with a dedicated "friends" community and a community liasion officer who manages this. 6. DISCUSSION, FUTURE WORK AND CONCLUSION The results of our study myExperiment users reflect a community in formation, whose members’ attitudes, intentions and expectations are diverse and evolving. As such, significant changes in attitudes, intentions and expectations are likely to occur as the activities of community members filter through the networks of relationships, reinforcing successful innovations and defining good practice. 14 CCPE09v3 first complete draft Conclusions… Future work… ACKNOWLEDGEMENTS Please add people to this alphabetical list The design of myExperiment and Research Objects has been a collaborative exercise involving a large group of people including Mark Borkum, Les Carr, Simon Coles, Phil Couch, Catherine De Roure, Tom Everleigh, Paul Fisher, Jeremy Frey, Antoon Goderis, Matt Lee, Cameron Neylon, Savas Parastatidis, Meik Poschen, Marco Roos, Robert Stevens, Shoaib Sufi, Franck Tanoh, David Withers, Katy Wolstencroft. myExperiment is funded by the JISC Virtual Research Environments programme, Microsoft Technical Computing Initiative and EPSRC. REFERENCES Will be managed in endnote – just drop text inline or here for now so I know what they are! 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