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      <title-group>
        <article-title>Capturing intent and rationale for Linked Science: design patterns as a resource for linking laboratory experiments</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Cameron McLean</string-name>
          <email>ca.mclean@auckland.ac.nz</email>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Mark Gahegan</string-name>
          <email>m.gahegan@auckland.ac.nz</email>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Fabiana Kubke</string-name>
          <email>f.kubke@auckland.ac.nz</email>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>University of Auckland, Centre for eResearch &amp; Department of Computer Science</institution>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>University of Auckland, School of Medical Sciences</institution>
        </aff>
      </contrib-group>
      <abstract>
        <p>The notion of design patterns, after architect Christopher Alexander, provides a powerful way to capture and describe reusable design knowledge for complex domains. In this position paper we present the idea of design patterns for molecular biology experiments, and discuss how they may be utilized to support experimental design reuse, reproducibility, and a platform for linking experiments. Design patterns provide an alternate terminology and interpretive framework that can capture expert experience and intent that is critical yet missing from current representations of lab methods that utilize web ontologies and computational workflows. We outline an approach to making design patterns a first class entity in support of linked experiments on the web and provide a glimpse of potential applications of laboratory design pattern knowledge.</p>
      </abstract>
      <kwd-group>
        <kwd>Linked Science</kwd>
        <kwd>design patterns</kwd>
        <kwd>semantics</kwd>
        <kwd>ontology</kwd>
        <kwd>workflows</kwd>
      </kwd-group>
    </article-meta>
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  <body>
    <sec id="sec-1">
      <title>-</title>
      <p>
        While there has been much focus on the description and linkage of scientific datasets
using web ontology languages, there has been less attention on how to describe and
then link the surrounding laboratory methods that are an important step in generating
such data. The use of biomedical ontologies1 to annotate laboratory methods
descriptions is a much needed and necessary first step to integrating laboratory experiments,
however, current ontologies alone cannot always provide sufficient knowledge to
support all the human reasoning and situated understanding one may need to act with
such knowledge [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ]. Traditionally, ontology takes in its remit the specification of
domain semantics and hierarchical decomposition, while workflow representations
encode processes - each effectively supporting the “what” and “how” of experiments
respectively. Yet reusing an experimental design requires understanding of intent and
rationale in addition to merely procedural facets - especially where they are to be
executed in heterogeneous, non-computational (wet-lab) environments. This position
paper introduces the concept of design patterns for laboratory experiments which can
act as both container and notation to admit design rationale in a linked science setting.
1 e.g. http://www.bioontology.org/
2 For examples of lab patterns and use cases see http://goo.gl/D5RZsQ
      </p>
    </sec>
    <sec id="sec-2">
      <title>Design patterns for laboratory experiments</title>
      <p>
        Design patterns were first introduced in the domain of architecture by Christopher
Alexander [
        <xref ref-type="bibr" rid="ref2">2</xref>
        ], as a way of encapsulating experts’ knowledge and externalizing it to
enable the generalization and communication of design. As a container for
knowledge, patterns are realized as structured documents centered on problems,
solutions, and the invariant “forces” that exist in a specified context. Through the
invariant “forces”, patterns identify, name, and abstract common themes in good design
solutions that are gained from experience [
        <xref ref-type="bibr" rid="ref3">3</xref>
        ]. The pragmatic nature of design
patterns, and their focus on expressing experience (rather than just domain concepts as
for ontologies, or processes as for workflows) provides an architecture that can
facilitate the adaption and reuse of laboratory experimental designs. Patterns provide a
shared vocabulary and extensionally defined examples of solutions to complex
problems and relate them back to an explicit rationale of why they are good.
      </p>
      <p>Fig1. Design patterns to capture laboratory knowledge.</p>
      <p>
        Patterns not only give a set of concepts and vocabulary for a domain, but do so
in a way that tells us what to do.2 The problem/solution orientation of patterns gives
us metaphorical dials to the domain, and tells us how to control and operate
effectively with them. Unlike ontologies which aim to be capable of expressing any valid
domain knowledge, patterns act more like recipes (yet more abstract and general than
typical workflow representations) and give us a map3 of the model space that tells us
what parts we can vary, and what should remain invariant to achieve the desired
outcome [
        <xref ref-type="bibr" rid="ref4">4</xref>
        ]. Considered as a form of knowledge management, we believe patterns offer
additional advantages and add powerful metadata alongside traditional ontological
and workflow approaches.
      </p>
      <p>Other patterns exist in the context of the semantic web e.g. workflow4 or
ontology design patterns5, which aim to provide usually domain independent
constructs for normalizing and specifying knowledge modeling problems. In contrast, our
notion of laboratory patterns as knowledge acquisition abstracts over laboratory
procedures directly (cf. the modeling of them) to provide reusable design solutions for
scientific experiments anchored in domain context - they supply us with domain
concepts and relationships across diverse experiments gathered around a specified design
intent.
2 For examples of lab patterns and use cases see http://goo.gl/D5RZsQ
3 A map analogy of patterns at http://hillside.net/plop/2010/papers/kohls.pdf
4 http://www.workflowpatterns.com/
5 http://ontologydesignpatterns.org/wiki/Main_Page</p>
      <p>While we accentuate differences in representational approaches here, in
reality we recognize the boundaries between ontologies, workflows, and design patterns
are fuzzy as each tries to incorporate aspects of the other. For the purpose of
discussion we make some general distinctions between the traditional forms of the three in
Table 1 below.</p>
    </sec>
    <sec id="sec-3">
      <title>Making design patterns and their vocabularies web addressable entities.</title>
      <p>The traditional form of design patterns are structured documents written in natural
language. Thus, in order to transform them into a resource for linked science, a
mechanism for publishing patterns and their vocabulary as defined web addressable entities
is desired.</p>
      <p>
        We view design patterns as data and ask how we may publish pattern
knowledge following linked data practices. To begin we have developed a method for
capturing pattern knowledge utilizing social methods adapted from other domains
where design patterns are valid entities. The structured documents that result from
“pattern mining” are collaboratively transferred to a semantic wiki based on the
OntoWiki Application framework [
        <xref ref-type="bibr" rid="ref5">5</xref>
        ]. OntoWiki and its extensions enable the direct
semantic content authoring of a knowledge base expressed in RDF, and provide for
simple human and machine accessible interfaces for publishing linked data. Patterns
entered by users become instances of a pattern model with defined syntax and
semantics for pattern elements such as title, problem description, forces, context etc. The
structure and URIs provided by the semantic wiki present an important first step in
extending the form of design patterns from paper to a web based resource and
supports the reuse of pattern content. Additionally, the wiki captures provenance, enables
peer review, and serves attribution and credit for design pattern authors.
      </p>
      <p>The challenges to this approach consist of specifying and refining the semantic
formalization of pattern level concepts and their relations using RDFS, OWL and
appropriate logics, and subsequently tailoring the OntoWiki Application framework.
This work is non-trivial as patterns have complex, interrelated internal and external
structures, and remains the current focus of our efforts.</p>
      <p>
        A vision for the application of laboratory pattern knowledge
The annotation of lab procedural descriptions with vocabulary and context supplied
by patterns is an obvious use of patterns as metadata. Currently, this coupling must be
created manually due to the implicit nature of many pattern concepts, but the markup
of existing documents or the authoring of future ones can be facilitated by adapting
existing annotation tools such as Rightfield [
        <xref ref-type="bibr" rid="ref6">6</xref>
        ]. Laboratory methods and other data on
the web indexed to patterns can provide an additional handle to browse, search, or
filter methods at a granular level, across domains, and at the level of design intent –
one which current semantics do not adequately provide
      </p>
      <p>
        Patterns name invariant forces that exist in recurring lab scenarios and provide
a valuable step towards the specification of minimal information reporting guidelines
for diverse laboratory processes. Indeed, the need for “high-level abstractions of the
components of experimental workflows” has been noted [
        <xref ref-type="bibr" rid="ref7">7</xref>
        ]. Furthermore, patterns
resemble a wet-lab equivalent of abstract computational workflows described by [
        <xref ref-type="bibr" rid="ref8">8</xref>
        ].
      </p>
      <p>Our vision is the creation of a laboratory pattern catalogue and web resource,
providing scientists assistance in understanding, reusing, and adapting the diversity of
published laboratory methods to their own needs. Principal in our approach is the
publication of pattern content and vocabulary as linked data, such that it may be
available for use anywhere on the semantic web.</p>
      <p>We believe the problem/solution orientation of design patterns fits well with
the cognitive processes of laboratory scientists when engaged with methods
knowledge. In combination with workflows and ontologies, the pragmatic aspects of
pattern knowledge can help provide a type of balancing – filling a representational
gap in our methods descriptions somewhere between axiomized ontologies and
workflows that can improve the epistemological adequacy of our scientific record.
5</p>
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