Why Workflows Break
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This is a talk that was presented by Khalid Belhajjame at the eScience conference that took place in 2012 in Chicago.
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Why Workflows Break
- 1. Why Workflows Break - Understanding and Combating Decay in Taverna Workflows Jun Zhao, Jose Manuel Gomez-Perez, Khalid Belhajjame, Graham Klyne, Esteban Garcia-Cuesta, Aleix Garrido, Kristina Hettne, Marco Roos, David De Roure, and Carole Goble IEEE eScience 2012. Chicago, USA 10 October, 2012 http://www.flickr.com/photos/sheepies/3798650645/ @ CC BY-NC 2.0
- 2. Reproducibility: Why Bother? ◉ Results produced by scientists not only give insight, they lead to progress and are built upon ◉ Therefore, the ability to test results is important ◉ In natural sciences, when a scientist claims an experimental result, then others scientist should be able to check it. ◉ This should be also possible for experiments carried out in computational environments. IEEE eScience 2012. Chicago, USA 10 October, 2012
- 3. 47 of 53 “landmark” publications could not be replicated Inadequate cell lines and animal models Nature, 483, 2012 Credit to Carole Goble JCDL 2012 Keynote
- 4. Reproducibility: Why Bother? ◉ Results produced by scientists not only give insight, they lead to progress and are built upon ◉ Therefore, the ability to test results is important ◉ In natural sciences, when a scientist claims an experimental result, then other scientists should be able to check it. ◉ This should be also possible for experiments carried out in computational environments. IEEE eScience 2012. Chicago, USA 10 October, 2012
- 5. Reproducibility: Why Bother? ◉ Results produced by scientists not only give insight, they lead to progress and are built upon ◉ Therefore, the ability to test results is important ◉ In natural sciences, when a scientist claims an experimental result, then other scientists should be able to check it. ◉ This should be also possible for experiments carried out in computational environments. IEEE eScience 2012. Chicago, USA 10 October, 2012
- 6. A famous quote An article about computational science in a scientific publication is not the scholarship itself, it is merely advertising of the scholarship. The actual scholarship is the complete software development environment and the complete set of instructions which generated the figures. Jon B. Buckheit and David L. Donoho, WaveLab and reproducible research, 1995 IEEE eScience 2012. Chicago, USA 10 October, 2012
- 7. Another quote Abandoning the habit of secrecy in favor of process transparency and peer review was the crucial step by which alchemy became chemistry. Eric S. Raymond, The art of UNIX programming, 2004 IEEE eScience 2012. Chicago, USA 10 October, 2012
- 8. Workflows: A Means for Preserving Scientific Methods Fortunately, there is a means that can be used to document the experiment that the scientist ran, and even re-run it! chromosome17 chromosome37 Scientific workflows Kegg pathway Kegg pathway Kegg pathway Kegg pathway query query query query Increasingly adopted in modern sciences. Transparent documentation of Detect common Detect common pathways pathways experimental methods Common pathways Repeatable and configurable IEEE eScience 2012. Chicago, USA 10 October, 2012
- 9. Workflow Decay A decayed or reduced ability to be executed or produce the same results Our Contributions An empirical analysis for identifying and categorizing the causes of workflow decay A software framework to assess workflow preservation
- 10. Storyline The importance of reproducibility Workflow as a means for preserving scientific methods Understanding the causes of workflow decay Combating decay Lessons learnt and future work IEEE eScience 2012. Chicago, USA 10 October, 2012
- 11. Understanding The Causes of Workflow Decay We adopted an empirical approach To identify the causes of workflow decay To quantify their severity To do so, we analyzed a sample of real workflows to determine if they suffer from decay and the reasons that caused their decay IEEE eScience 2012. Chicago, USA 10 October, 2012
- 12. Experimental Setup Taverna workflows from Software environment myExperiment.org Taverna 2.3 Taverna 1 Taverna 2 Experiment metadata June-July 2012 Selection process 4 researchers By the creation year By the creator By the domain IEEE eScience 2012. Chicago, USA 10 October, 2012
- 13. Analyzed Workflows Number of Taverna 1 workflows from 2007 to 2011 2007 2008 2009 2010 2011 Tested 12 10 10 10 4* Total 74 341 101 26 13 Number of Taverna 2 workflows from 2009 to 2012 2009 2010 2011 2012 Tested 12 10 15 9 Total 97 308 289 184 IEEE eScience 2012. Chicago, USA 10 October, 2012
- 14. Profile of Analyzed Workflows IEEE eScience 2012. Chicago, USA 10 October, 2012
- 15. The Proportion of Decay Taverna 1 75% of the 92 tested workflows failed to be either executed or produce the same result (if testable) Those from early years Taverna 2 (2007-2009) had 91% failure rate IEEE eScience 2012. Chicago, USA 10 October, 2012
- 16. The Cause of Decay Manual analysis By the validation report from Taverna workbench By interpreting experiment results reported by Taverna Identified 4 categories of causes Missing example data Missing execution environment Insufficient descriptions about workflows Volatile third-party Resources Other unconsidered possible factors Changes in the local operating environment (hardware, OS, middleware, compiler, etc) IEEE eScience 2012. Chicago, USA 10 October, 2012
- 17. Decay Caused by Third-Party Causes Resources Examples Refined Causes Third party resources Underlying dataset, particularly those Researcher hosting the data changed are not available locally hosted in-house dataset, is no institution, server is no longer available longer available Services are deprecated DDBJ web services are not longer provided despite the fact that they are used in many myExperiment workflows Third party resources Data is available but identified using Due to scalability reasons the input are available but not different IDs than the ones known to data is superseded by new one making accessible the user the workflow not executable or providing wrong results Data is available but permission, Cannot get the input, which is a certificate, or network to access it is security token that can only be needed obtained by a registered user of ChemiSpider Services are available but need The security policies of the execution permission, certificate, or network to framework are updated due to new access and invoke them hosting institution rules Third party resources Services are still available by using the The web services are updated have changed same identifiers but their functionality have changed IEEE eScience 2012. Chicago, USA 10 October, 2012
- 18. The Cause of Decay Manual analysis By the validation report from Taverna workbench By interpreting experiment results reported by Taverna Identified 4 categories of causes Missing example data Missing execution environment Insufficient descriptions about workflows Volatile third-party Resources Other unconsidered possible factors Changes in the local operating environment (hardware, OS, middleware, compiler, etc) IEEE eScience 2012. Chicago, USA 10 October, 2012
- 19. Summary of Decay Causes 50% of the decay was caused by volatility of 3rd-party resource Unavailable Inaccessible Updated Missing example data Unable to re-run Missing execution environment Such as local plugins Insufficient metadata Such as any required dependency libraries or permission information IEEE eScience 2012. Chicago, USA 10 October, 201
- 20. Storyline The importance of reproducibility Workflow as a means for preserving scientific methods Understanding the causes of workflow decay • Combating decay • Lessons learnt and future work IEEE eScience 2012. Chicago, USA 10 October, 2012
- 21. Combating Workflow Decay • Objective: To provide enough information to – Prevent decay – Detect decay – Repair decay • Approach: Research Objects + Checklists – Research Objects [1][2]: Aggregate workflow specifications t o jec together with auxiliary elements, such as example data inputs, Pr annotations, provenance traces that can be used to prevent ver f4E decay and/or repair the workflow in case of decay. W – Checklists: to check that sufficient information is preserved along with the workflows [1] http://wf4ever.github.com/ro/ [2] http://wf4ever.github.com/ro-primer/ IEEE eScience 2012. Chicago, USA 10 October, 2012
- 22. Checklists • Checklists are a well established tool for guiding practices to ensure safety, quality and consistency in the conduct of complex operations. • They have been adopted by the biological research community to promote consistency across research datasets • In our case, we use checklists to assess if a research object contains sufficient information for running the workflow and checking that its results are replicable. IEEE eScience 2012. Chicago, USA 10 October, 2012
- 23. Cheklist-ing the Reproducibility of a Workflow The Minim model used in our approach is an adaptation of the MiM model [1][2]. [1] Matthew Gamble, Jun Zaho, Graham Klyne and Carole Goble. MIM: A Minimum Information Model Vocabulary and Framework for Scientific Linked Data. eScience 2012 [2] https://raw.github.com/wf4ever/ro-manager/master/src/iaeval/Minim/minim.rdf IEEE eScience 2012. Chicago, USA 10 October, 2012
- 24. Use Case • 4 myExperiment packs – 2 from genomics, 1 from geography, and 1 domain-neutral • Experiment process: – Transform them into RO – Create checklist descriptions • Observations – 2 research objects were found not to contain the necessary information to run them, 2 others failed because of update to third party resources and environment of execution. IEEE eScience 2012. Chicago, USA 10 October, 2012
- 25. Storyline The importance of reproducibility Workflow as a means for preserving scientific methods Understanding the causes of workflow decay • Combating decay • Lessons Learnt and future work IEEE eScience 2012. Chicago, USA 10 October, 2012
- 26. Lessons Learnt 1. Dependency is the root enemy of reproducible workflows 2. Documentation, i.e., annotation, is vital 3. Documentation should be easy to create IEEE eScience 2012. Chicago, USA 10 October, 2012
- 27. The Future Work • Decay detection, explanation, and repair • Reproducibility and provenance • Working with scientists is vital for reproducible science – GigaScience – BioVel – 2020 Science IEEE eScience 2012. Chicago, USA 10 October, 2012
- 28. Acknowledgement EU Wf4Ever project (270129) funded under EU FP7 (ICT- 2009.4.1). (http://www.wf4ever-project.org) The principles of provenance. Dagstuhl, March 1, 2012
Notes de l'éditeur
- So why do we bother about reproducibility. Because results that scientists reach are not only insights. They are used to ensure progress in practice. Moreover, their results is built upon by other scientists to reach new results. Therefore, testing claimed results is crucial for science to be self-correcting. ============ Important scientific results not only give insight but also lead to practical progress. The ability to test results is crucial for science to be self-correcting. A hallmark of the scientific method is that experiments should be described in enough detail that they can be repeated and perhaps generalized. The idea in natural science is that if a scientist claims an experimental result, then another scientist should be able to check it. Similarly, in a computational environment, it should be possible to repeat a computational experiment as the authors have run it or to change the experiment to see how robust the authors’ conclusions are to changes in parameters or data (a concept called workability).
- As an example, In this article, a researcher has found that many basic studies on cancer are unreliable, with grim consequences for producing new medicines in the future. This supports the need for testing research results. http://www.reuters.com/article/2012/03/28/us-science-cancer-idUSBRE82R12P20120328 During a decade as head of global cancer research at Amgen, C. Glenn Begley identified 53 "landmark" publications -- papers in top journals, from reputable labs -- for his team to reproduce. Begley sought to double-check the findings before trying to build on them for drug development. Result: 47 of the 53 could not be replicated. He described his findings in a commentary piece published on Wednesday in the journal Nature.
- In natural sciences, when a scientists claims an experimental result, then another scientists should be able to check it. This should also be possible in a computational environment to test the experiment as the authors have run it, or even change the experiment to see how robust the conclusions reached by the authors.
- In natural sciences, when a scientists claims an experimental result, then other scientists should be able to check it. This should also be possible in a computational environment to test the experiment as the authors have run it, or even change the experiment to see how robust the conclusions reached by the authors. To do so, we need information that documents the experiment and specify the computational environment in which it was ran.
- I am quoting these two quotes to underline the fact that the experiment results are not enough and that we need information about the process whereby such results were produced.
- This is partly witnessed by existing workflow repositories, notably myExperiment and crowdLab, which provide scientists with the means to store, share, publish and reuse workflows. One of the good features of scientific workflows vis a vis reproducibility is that they are repeatable and configurable. Well in principle. Unfortunately, our experience suggests that workflows are likely to suffer over time from decay hindering or reducing the ability to execute them and reproduce the same results.
- Analyse a sample of real workflows to determine if they suffer from decay and the reasons that caused their decay
- C. Missing execution environment The execution of a workflow may rely on a particular local execution environment, for example, a local R server or a specific version of workflow execution software. Some of our test workflows exhibit this type of decay. Taverna often provides sufficient information about missing libraries, and sometimes workflow descriptions provide a warning about the requirement for a specific library. This type of decay appears to be fixable by installing the missing software, albeit requiring some effort. D. Insufficient descriptions about workflows Sometimes a workflow workbench cannot provide sufficient information about what caused the failure of a workflow run. Additional descriptions in the workflow can play an important role in assisting users reusing the workflows to understand the purpose of the workflow and its expected outcomes.
- C. Missing execution environment The execution of a workflow may rely on a particular local execution environment, for example, a local R server or a specific version of workflow execution software. Some of our test workflows exhibit this type of decay. Taverna often provides sufficient information about missing libraries, and sometimes workflow descriptions provide a warning about the requirement for a specific library. This type of decay appears to be fixable by installing the missing software, albeit requiring some effort. D. Insufficient descriptions about workflows Sometimes a workflow workbench cannot provide sufficient information about what caused the failure of a workflow run. Additional descriptions in the workflow can play an important role in assisting users reusing the workflows to understand the purpose of the workflow and its expected outcomes.
- Based on our findings, we bundle workflow specifications together with auxiliary information for mitigate its decay, e.g., example data inputs, annotations describing the workflow, provenance traces. The resulting aggregation is term Research Object, which abstractions that are used for workflow preservation. These are designed and tooling is developed around in the context of the Wf4Ever project To verify that a given research object provides the information necessary for preserving a workflow against decay, we adopt a checklist-based approach. Checklists are a well- established tool for guiding practices to ensure safety, quality and consistency in the conduct of complex operations [11], More recently, they have been adopted by the biological research community to promote consistency across research datasets [33] Checklists are well established tool for guiding practices to ensure safety, quality and consistency to conduct complex operations. In our cases, we use them to specify the minimum information needed to prevent workflow decay.
- The checklists are expressed using the Minim model
- As a proof of concept