Structuring research methods and data with the research object model: genomics workflows as a case study

Background: One of the main challenges for biomedical research lies in the computer-assisted integrative study of large and increasingly complex combinations of data in order to understand molecular mechanisms. The preservation of the materials and methods of such computational experiments with clear annotations is essential for understanding an experiment, and this is increasingly recognized in the bioinformatics community. Our assumption is that offering means of digital, structured aggregation and annotation of the objects of an experiment will provide necessary meta-data for a scientist to understand and recreate the results of an experiment. To support this we explored a model for the semantic description of a workflow-centric Research Object (RO), where an RO is defined as a resource that aggregates other resources, e.g., datasets, software, spreadsheets, text, etc. We applied this model to a case study where we analysed human metabolite variation by workflows. Results: We present the application of the workflow-centric RO model for our bioinformatics case study. Three workflows were produced following recently defined Best Practices for workflow design. By modelling the experiment as an RO, we were able to automatically query the experiment and answer questions such as “which particular data was input to a particular workflow to test a particular hypothesis?”, and “which particular conclusions were drawn from a particular workflow?”. Conclusions: Applying a workflow-centric RO model to aggregate and annotate the resources used in a bioinformatics experiment, allowed us to retrieve the conclusions of the experiment in the context of the driving hypothesis, the executed workflows and their input data. The RO model is an extendable reference model that can be used by other systems as well.

kyrie2: query rewriting under extensional constraints in ELHIO

In this paper we study query answering and rewriting in ontologybased data access. Specifically, we present an algorithm for computing a perfect rewriting of unions of conjunctive queries posed over ontologies expressed in the description logic ELHIO, which covers the OWL 2 QL and OWL 2 EL profiles. The novelty of our algorithm is the use of a set of ABox dependencies, which are compiled into a so-called EBox, to limit the expansion of the rewriting. So far, EBoxes have only been used in query rewriting in the case of DL-Lite, which is less expressive than ELHIO. We have extensively evaluated our new query rewriting technique, and in this paper we discuss the tradeoff between the reduction of the size of the rewriting and the computational cost of our approach.

Using Open Geographic Data to Generate Natural Language Descriptions for Hydrological Sensor Networks

Providing descriptions of isolated sensors and sensor networks in natural language, understandable by the general public, is useful to help users find relevant sensors and analyze sensor data. In this paper, we discuss the feasibility of using geographic knowledge from public databases available on the Web (such as OpenStreetMap, Geonames, or DBpedia) to automatically construct such descriptions. We present a general method that uses such information to generate sensor descriptions in natural language. The results of the evaluation of our method in a hydrologic national sensor network showed that this approach is feasible and capable of generating adequate sensor descriptions with a lower development effort compared to other approaches. In the paper we also analyze certain problems that we found in public databases (e.g., heterogeneity, non-standard use of labels, or rigid search methods) and their impact in the generation of sensor descriptions.

Towards workflow ecosystems through standard representations

Workflows are increasingly used to manage and share scientific computations and methods. Workflow tools can be used to design, validate, execute and visualize scientific workflows and their execution results. Other tools manage workflow libraries or mine their contents. There has been a lot of recent work on workflow system integration as well as common workflow interlinguas, but the interoperability among workflow systems remains a challenge. Ideally, these tools would form a workflow ecosystem such that it should be possible to create a workflow with a tool, execute it with another, visualize it with another, and use yet another tool to mine a repository of such workflows or their executions. In this paper, we describe our approach to create a workflow ecosystem through the use of standard models for provenance (OPM and W3C PROV) and extensions (P-PLAN and OPMW) to represent workflows. The ecosystem integrates different workflow tools with diverse functions (workflow generation, execution, browsing, mining, and visualization) created by a variety of research groups. This is, to our knowledge, the first time that such a variety of workflow systems and functions are integrated.

FragFlow: automated fragment detection in scientific workflows

Scientific workflows provide the means to define, execute and reproduce computational experiments. However, reusing existing workflows still poses challenges for workflow designers. Workflows are often too large and too specific to reuse in their entirety, so reuse is more likely to happen for fragments of workflows. These fragments may be identified manually by users as sub-workflows, or detected automatically. In this paper we present the FragFlow approach, which detects workflow fragments automatically by analyzing existing workflow corpora with graph mining algorithms. FragFlow detects the most common workflow fragments, links them to the original workflows and visualizes them. We evaluate our approach by comparing FragFlow results against user-defined sub-workflows from three different corpora of the LONI Pipeline system. Based on this evaluation, we discuss how automated workflow fragment detection could facilitate workflow reuse.

SMART Protocols: seMAntic represenTation for experimental protocols

Two important characteristics of science are the ?reproducibility? and ?clarity?. By rigorous practices, scientists explore aspects of the world that they can reproduce under carefully controlled experimental conditions. The clarity, complementing reproducibility, provides unambiguous descriptions of results in a mechanical or mathematical form. Both pillars depend on well-structured and accurate descriptions of scientific practices, which are normally recorded in experimental protocols, scientific workflows, etc. Here we present SMART Protocols (SP), our ontology-based approach for representing experimental protocols and our contribution to clarity and reproducibility. SP delivers an unambiguous description of processes by means of which data is produced; by doing so, we argue, it facilitates reproducibility. Moreover, SP is thought to be part of e-science infrastructures. SP results from the analysis of 175 protocols; from this dataset, we extracted common elements. From our analysis, we identified document, workflow and domain-specific aspects in the representation of experimental protocols. The ontology is available at http://purl.org/net/SMARTprotocol

morph-LDP: an R2RML-based Linked Data Platform implementation

The W3C Linked Data Platform (LDP) candidate recom- mendation defines a standard HTTP-based protocol for read/write Linked Data. The W3C R2RML recommendation defines a language to map re- lational databases (RDBs) and RDF. This paper presents morph-LDP, a novel system that combines these two W3C standardization initiatives to expose relational data as read/write Linked Data for LDP-aware ap- plications, whilst allowing legacy applications to continue using their relational databases.

Workflow reuse in practice: a study of neuroimaging pipeline users

Workflow reuse is a major benefit of workflow systems and shared workflow repositories, but there are barely any studies that quantify the degree of reuse of workflows or the practical barriers that may stand in the way of successful reuse. In our own work, we hypothesize that defining workflow fragments improves reuse, since end-to-end workflows may be very specific and only partially reusable by others. This paper reports on a study of the current use of workflows and workflow fragments in labs that use the LONI Pipeline, a popular workflow system used mainly for neuroimaging research that enables users to define and reuse workflow fragments. We present an overview of the benefits of workflows and workflow fragments reported by users in informal discussions. We also report on a survey of researchers in a lab that has the LONI Pipeline installed, asking them about their experiences with reuse of workflow fragments and the actual benefits they perceive. This leads to quantifiable indicators of the reuse of workflows and workflow fragments in practice. Finally, we discuss barriers to further adoption of workflow fragments and workflow reuse that motivate further work.

HDTourist: exploring urban data on Android

The Web of Data currently comprises ? 62 billion triples from more than 2,000 different datasets covering many fields of knowledge3. This volume of structured Linked Data can be seen as a particular case of Big Data, referred to as Big Semantic Data [4]. Obviously, powerful computational configurations are tradi- tionally required to deal with the scalability problems arising to Big Semantic Data. It is not surprising that this ?data revolution? has competed in parallel with the growth of mobile computing. Smartphones and tablets are massively used at the expense of traditional computers but, to date, mobile devices have more limited computation resources. Therefore, one question that we may ask ourselves would be: can (potentially large) semantic datasets be consumed natively on mobile devices? Currently, only a few mobile apps (e.g., [1, 9, 2, 8]) make use of semantic data that they store in the mobile devices, while many others access existing SPARQL endpoints or Linked Data directly. Two main reasons can be considered for this fact. On the one hand, in spite of some initial approaches [6, 3], there are no well-established triplestores for mobile devices. This is an important limitation because any po- tential app must assume both RDF storage and SPARQL resolution. On the other hand, the particular features of these devices (little storage space, less computational power or more limited bandwidths) limit the adoption of seman- tic data for different uses and purposes. This paper introduces our HDTourist mobile application prototype. It con- sumes urban data from DBpedia4 to help tourists visiting a foreign city. Although it is a simple app, its functionality allows illustrating how semantic data can be stored and queried with limited resources. Our prototype is implemented for An- droid, but its foundations, explained in Section 2, can be deployed in any other platform. The app is described in Section 3, and Section 4 concludes about our current achievements and devises the future work.

Towards efficient processing of RDF Data Streams

In the last years, there has been an increase in the amount of real-time data generated. Sensors attached to things are transforming how we interact with our environment. Extracting meaningful information from these streams of data is essential for some application areas and requires processing systems that scale to varying conditions in data sources, complex queries, and system failures. This paper describes ongoing research on the development of a scalable RDF streaming engine.

A semantic-based approach to attain reproducibility of computational environments in scientific workflows: a case study

Reproducible research in scientific workflows is often addressed by tracking the provenance of the produced results. While this approach allows inspecting intermediate and final results, improves understanding, and permits replaying a workflow execution, it does not ensure that the computational environment is available for subsequent executions to reproduce the experiment. In this work, we propose describing the resources involved in the execution of an experiment using a set of semantic vocabularies, so as to conserve the computational environment. We define a process for documenting the workflow application, management system, and their dependencies based on 4 domain ontologies. We then conduct an experimental evaluation using a real workflow application on an academic and a public Cloud platform. Results show that our approach can reproduce an equivalent execution environment of a predefined virtual machine image on both computing platforms.

RDSZ: an approach for lossless RDF stream compression

In many applications (like social or sensor networks) the in- formation generated can be represented as a continuous stream of RDF items, where each item describes an application event (social network post, sensor measurement, etc). In this paper we focus on compressing RDF streams. In particular, we propose an approach for lossless RDF stream compression, named RDSZ (RDF Differential Stream compressor based on Zlib). This approach takes advantage of the structural similarities among items in a stream by combining a differential item encoding mechanism with the general purpose stream compressor Zlib. Empirical evaluation using several RDF stream datasets shows that this combi- nation produces gains in compression ratios with respect to using Zlib alone.

Formalisation and experiences of R2RML-based SPARQL to SQL query translation using Morph

R2RML is used to specify transformations of data available in relational databases into materialised or virtual RDF datasets. SPARQL queries evaluated against virtual datasets are translated into SQL queries according to the R2RML mappings, so that they can be evaluated over the underlying relational database engines. In this paper we describe an extension of a well-known algorithm for SPARQL to SQL translation, originally formalised for RDBMS-backed triple stores, that takes into account R2RML mappings. We present the result of our implementation using queries from a synthetic benchmark and from three real use cases, and show that SPARQL queries can be in general evaluated as fast as the SQL queries that would have been generated by SQL experts if no R2RML mappings had been used.

Standing together for reproducibility in large-scale computing: report on reproducibility@XSEDE

This is the final report on reproducibility@xsede, a one-day workshop held in conjunction with XSEDE14, the annual conference of the Extreme Science and Engineering Discovery Environment (XSEDE). The workshop's discussion-oriented agenda focused on reproducibility in large-scale computational research. Two important themes capture the spirit of the workshop submissions and discussions: (1) organizational stakeholders, especially supercomputer centers, are in a unique position to promote, enable, and support reproducible research; and (2) individual researchers should conduct each experiment as though someone will replicate that experiment. Participants documented numerous issues, questions, technologies, practices, and potentially promising initiatives emerging from the discussion, but also highlighted four areas of particular interest to XSEDE: (1) documentation and training that promotes reproducible research; (2) system-level tools that provide build- and run-time information at the level of the individual job; (3) the need to model best practices in research collaborations involving XSEDE staff; and (4) continued work on gateways and related technologies. In addition, an intriguing question emerged from the day's interactions: would there be value in establishing an annual award for excellence in reproducible research? Overview

Social tags and linked data for ontology development: a case study in the financial domain

We describe a domain ontology development approach that extracts domain terms from folksonomies and enrich them with data and vocabularies from the Linked Open Data cloud. As a result, we obtain lightweight domain ontologies that combine the emergent knowledge of social tagging systems with formal knowledge from Ontologies. In order to illustrate the feasibility of our approach, we have produced an ontology in the financial domain from tags available in Delicious, using DBpedia, OpenCyc and UMBEL as additional knowledge sources.