Managing Provenance for Reproducibility and Beyond Juliana Freire Web and Databases Lab Scientific Computing and Imaging Institute School of Computing University of Utah What is Provenance? Oxford English Dictionary: (i) the fact of coming from some particular source or quarter; origin, derivation. (ii) the history or pedigree of a work of art, manuscript, rare book, etc.; concretely, a record of the ultimate derivation and passage of an item through its various owners. Apple Dictionary: Origin, source, place of origin; birthplace, fount, roots, pedigree, derivation, root, etymology; formal radix. Provenance for Reproducibility and Beyond Juliana Freire 2 Provenance in Art Rembrandt van Rijn Self-Portrait, 1659 Andrew W. Mellon Collection 1937.1.72 Provenance for Reproducibility and Beyond Juliana Freire 3 Provenance in Business Corporate and accounting scandals, e.g., Enron, Tyco, WorldCom Decline of public trust in accounting and reporting practices Sarbanes-Oxley Act of 2002 requires detailed provenance (auditing), e.g., http://en.wikipedia.org/wiki/Sarbanes-Oxley_Act – Understand the flow of transactions ….to identify points at which a misstatement could arise Provenance for Reproducibility and Beyond Juliana Freire 4 Provenance in Health Care Need to keep track of patients’ provenance Verify compliance to protocols Mine/analyze this information to make informed decisions – E.g., assess the effectiveness of procedures and drugs for large populations – "Evidence-based medicine is the conscientious, explicit and judicious use of current best evidence in making decisions about the care of individual patients.” http://en.wikipedia.org/wiki/Evidence-based_medicine Provenance for Reproducibility and Beyond Juliana Freire 5 Provenance in Science Provenance is as (or more!) important as the result Lab notebooks have been used for a long time What is new? When – Large volumes of data – Complex analyses— computational processes Writing notes is no longer an option… Annotation Observed data DNA recombination By Lederberg Provenance for Reproducibility and Beyond Juliana Freire 6 The Need for Provenance Managament Emp John Susan Provenance for Reproducibility and Beyond Dept D01 D02 Mgr Mary Ken Juliana Freire 7 Uses of Computational Provenance anon4876_zspace_20060331.jpg anon4877_zspace_20060331.jpg anon4877_lesion_20060401.jpg Reproducibility Data quality Attribution Informational How were these images created? Was any pre-processing applied to the raw data? What’s the difference? Who created them? Are they really from the same patient? Provenance for Reproducibility and Beyond Juliana Freire 8 Vision: Provenance-Rich Data Provenance for Reproducibility and Beyond Juliana Freire 9 Provenance Management: Desiderata Sensors User studies Simulations Capture Integrate/ Obtain Provenance model Organize Data Efficient storage and querying Usable tools Web Analyze/ Visualize Databases Provenance for Reproducibility and Beyond Juliana Freire 10 Outline Focus: provenance for digital data derived by computational processes Background: Scientific workflows and provenance Change-based provenance model Querying and re-using provenance The VisTrails system Emerging applications – Provenance-rich publications – Provenance in teaching – Science 2.0: enhanced collaboration Provenance for Reproducibility and Beyond Juliana Freire 11 Scientific Workflows and Provenance Scientific Workflows and Dataflows Dataflows are directed graphs describing a computational task – Vertices = modules = processing steps + parameters – Edges = connections between output and input ports – Execution order determined by flow of data from output to input ports Input: Head.120.iso Provenance for Reproducibility and Beyond Isosurface Output: value=57 Juliana Freire 13 Scientific Workflows and Dataflows Dataflows are directed graphs describing a computational task – Vertices = modules = processing steps + parameters – Edges = connections between output and input ports – Execution order determined by flow of data from output to input ports No state or side effects: Outputs are a function of the I1 inputs O3 = vtkDataSetMapper(input=O2) O2 = vtkContourFilter(value=57,input=O1) O1 = vtkStructuredReader(input=I1) [Lee and Parks, IEEE 1995] O1 O2 O3 Provenance for Reproducibility and Beyond Juliana Freire 14 Scientific Workflows and Dataflows A directed graph describing a computational task – Vertices = modules = processing steps + parameters – Edges = connections between output and input ports – Execution order determined by flow of data from output to input ports No state or side effects: Outputs are a function of the inputs I1 Simple programming model – Good match for visual programming interfaces – Widely used: adopted by most scientific workflow and visualization systems – Easy to optimize and parallelize O1 O2 O3 Provenance for Reproducibility and Beyond Juliana Freire 15 Workflows and Computer Programs Provenance for Reproducibility and Beyond Juliana Freire 16 Workflows and Computer Programs Program Workflow Document Database <Book> <Title>The Advanced Html Companion</Title> <Author> Keith Schengili-Roberts </Author> <Author> Kim Silk-Copeland</Author> <Price> 35.96</Price>… </Book> A program is to a workflow what an unstructured document is to a (structured) database. Provenance for Reproducibility and Beyond Juliana Freire 17 Workflows and Computer Programs Program Workflow The Beauty of Structure Unstructured Document Database Structured <Book> <Title>The Advanced Html Companion</Title> <Author> Keith Schengili-Roberts </Author> <Author> Kim Silk-Copeland</Author> <Price> 35.96</Price>… </Book> A program is to a workflow what an unstructured document is to a (structured) database. Provenance for Reproducibility and Beyond Juliana Freire 18 Provenance = Process and Data Dependencies = Graph volume_vis.wf used lung.120.vtk What is the provenance of: derived anon4877_lesion_20060401.jpg Provenance for Reproducibility and Beyond Juliana Freire 19 Provenance and Data Exploration Data Exploration and Workflows Workflows have been traditionally used to automate repetitive tasks In exploratory tasks, change is the norm! – Data analysis and exploration are iterative processes Data Workflow Data Product Specification Data Manipulation Perception & Cognition Knowledge Exploration User Figure modified from J. van Wijk, IEEE Vis 2005 Provenance for Reproducibility and Beyond Juliana Freire 21 Exploration and Creativity Support Reflective reasoning is key in the exploratory processes “Reflective reasoning requires the ability to store temporary results, to make inferences from stored knowledge, and to follow chains of reasoning backward and forward, sometimes backtracking when a promising line of thought proves to be unfruitful. …the process is slow and laborious” Donald A. Norman Need external aids—tools to facilitate this process – Creativity support tools [Shneiderman, CACM 2002] Need aid from people—collaboration Provenance for Reproducibility and Beyond Juliana Freire 22 Data Exploration and Workflows raw data:CT scan workflow Files (workflow specifications) anon4877_voxel_scale_1_zspace_20060331.srn anon4877_textureshading_20060331.srn anon4877_textureshading_plane0_20060331.srn anon4877_goodxferfunction_20060331.srn anon4877_lesion_20060331.srn Provenance for Reproducibility and Beyond Notes Initial visualization withAdded z-scaling texture corrected! andAdded shading! plane to visualize Found good internal transfer structure! Identified function! lesion tissue! Juliana Freire 23 Data Exploration and Workflows: Issues Hard to assemble and refine workflows Data provenance is maintained manually through filenaming conventions and detailed notes – A time-consuming process Hard to understand the exploratory process and relationships among workflows Hard to further explore the data, e.g., locate relevant data products/workflows and modify them Hard to collaborate, and work is likely to be lost if creator leaves The generation and maintenance of workflows is a major bottleneck in the scientific process Provenance for Reproducibility and Beyond Juliana Freire 24 Change-Based Provenance Treat workflow as a first-class data item Provenance = changes to computational tasks – Add a module, add a connection, change a parameter value [Freire et al., IPAW 2006] Provenance for Reproducibility and Beyond Juliana Freire 25 Change-Based Provenance Treat workflow as a first-class data item Provenance = changes to computational tasks – Add a module, add a connection, change a parameter value addModule deleteConnection addConnection addConnection setParameter Provenance for Reproducibility and Beyond Juliana Freire 26 Change-Based Provenance Treat workflow as a first-class data item Provenance = changes to computational tasks – Add a module, add a connection, change a parameter value A vistrail node vt corresponds to the workflow that is constructed by the sequence of actions from the root to vt vt = xn ◦ xn-1 ◦ … ◦ x1 ◦ Ø Extensible change algebra vistrail x1 x2 x3 [Freire et al, IPAW 2006] Provenance for Reproducibility and Beyond Juliana Freire 27 Provenance Beyond Reproducibility Support for reflective reasoning Ability to compare data products [Freire et al., IPAW 2006] Provenance for Reproducibility and Beyond Juliana Freire 28 Computing Workflow Differences No need to compute subgraph isomorphism! A vistrail is a rooted tree: all nodes have a common ancestor—diffs are welldefined and simple to compute vt1 = xi ◦ xi-1 ◦ … ◦ x1 ◦ Ø vt2 = xj ◦ xj-1 ◦ … ◦ x1 ◦ Ø vt1-vt2 = {xi, xi-1, …, x1, Ø} – {xj, xj-1, …,x1 , Ø} Different semantics: – Exact, based on ids – Approximate, based on module signatures Provenance for Reproducibility and Beyond Juliana Freire 29 Provenance Beyond Reproducibility Support for reflective reasoning Ability to compare data products Explore parameter spaces and compare results [Freire et al., IPAW 2006] Provenance for Reproducibility and Beyond Juliana Freire 30 Exploring the Change Space Scripting workflows: Parameter explorations are simple to specify and apply Exploration of parameter space for a workflow vt (setParameter(idn,valuen) ◦ … ◦ (setParameter(id1,value1) ◦ vt ) Exploration of multiple workflow specifications (addModule(idi,…) ◦ (deleteModule(idi) ◦ v1 ) … (addModule(idi,…) ◦ (deleteModule(idi) ◦ vn ) Results can be conveniently compared in the VisTrails spreadsheet Can create animations too! Caching to avoid redundant computations [Bavoil et al., IEEE Vis 2005] Provenance for Reproducibility and Beyond Juliana Freire 31 Provenance Beyond Reproducibility Support for reflective reasoning Ability to compare data products Explore parameter spaces and compare results Support for collaboration [Ellkvist et al., IPAW 2008] Provenance for Reproducibility and Beyond Juliana Freire 32 Collaborative Exploration Collaboration is key to data exploration – Translational, integrative approaches to science Store provenance information in a database Synchronize concurrent updates through locking – Real-time collaboration [Ellkvist et al., IPAW 2008] Asynchronous access: similar to version control systems – Check out, work offline, synchronize – Users exchange patches No need for a central repository—support for distributed collaboration – For details see Callahan et al, SCI Institute Technical Report, No. UUSCI-2006-016 2006 Provenance for Reproducibility and Beyond Juliana Freire 33 Vistrail Synchronization Version tree is monotonic – Actions are always added, never deleted Merging two vistrails is simple + Provenance for Reproducibility and Beyond = Juliana Freire 34 Change-Based Provenance: Summary General: Works with any system that has undo/redo! Provenance for Reproducibility and Beyond Juliana Freire 35 Provenance Enabling 3rd-Party Tools Autodesk Maya ParaView VisIt ImageVis3d [Callahan et al., IPAW 2008] Provenance for Reproducibility and Beyond Juliana Freire 36 Provenance Plugin for ParaView Provenance for Reproducibility and Beyond Juliana Freire 37 Change-Based Provenance: Summary General: Works with any system that has undo/redo! Concise representation Uniformly captures data and workflow provenance – Data provenance: where does a specific data product come from? – Workflow evolution: how has workflow structure changed over time? Results can be reproduced Detailed information about the exploration process Provenance beyond reproducibility: – Scientists can return to any point in the exploration space – Scalable exploration of the parameter space—results can be compared side-by-side in the spreadsheet – Support for collaboration – Understand problem-solving strategies—knowledge re-use Provenance for Reproducibility and Beyond Juliana Freire 38 Querying and Re-Using Provenance Querying Provenance head.120.vtk Graph traversal – Derivation lineage – Data dependencies Find the process that led to resampled-head-vis.png Which data sets contributed to resampled-head-vis.png resampled-head-vis.png Provenance for Reproducibility and Beyond Graph patterns Find all invocations of vtkContourFilter with isosurface value = 57 that are preceded by resampling Juliana Freire 40 Query Interfaces and Usability Sample query from Provenance Challenge: – Find all invocations of procedure align_warp using parameter “model” set to “12” that ran on a Monday. New provenance query language [Scheidegger et al., CCPE 2008] wf{*}: x where x.module = AlignWarp and x.parameter('model') = '12' and (log{x}: y where y.dayOfWeek = 'Monday') Workflow Evolution Workflow Execution For details see http://twiki.gridprovenance.org/bin/view/Challenge/VisTrails Query from REDUX, Microsoft Much simpler than other approaches which use SQL, SparQL, Prolog…. But who is going to write those queries? Provenance for Reproducibility and Beyond Juliana Freire 41 Querying Provenance by Example Provenance is represented as graphs: hard to specify queries using text! Querying workflows by example [Scheidegger et al., TVCG 2007; Beeri et al., VLDB 2006; Beeri et al. VLDB 2007] – WYSIWYQ -- What You See Is What You Query – Interface to create workflow is same as to query Provenance for Reproducibility and Beyond Juliana Freire 42 Querying and Efficiency Query containment – Given a query graph q, a w in W satisfies q if q and w are isomorphic Subgraph isomorphism is NP-complete… Leverage existing approaches to graph indexing which attempt to reduce the number of isomorphism checks [Yan et al., SIGMOD 2004, Zhao et al., VLDB 2007] – Index construction: Identify frequent features F in W and link each fi in F to the set of Wi ⊂ W – Query evaluation: Given a query q, identify the features in q; compute the intersection of the graphs associated with each feature; and for each resulting graph check whether it is isomorphic to q Provenance for Reproducibility and Beyond Juliana Freire 43 Querying and Efficiency Wildcard queries – Given a partial query graph q, a w in W satisfies q if q and w are isomorphic )('("*+,#%"*(-, !"#$%&'(' .$"/'(#+,#%"*(-, )('("*+,#%"*(-, )2'("'$&#3 )2'("'$&#3 .$"/'(#+,#%"*(-, 0#1'/2$#, !"#$%&'()'*#+&,) -%/*,$2,)'1& !"#$%&'(' 0#1'/2$#, 45"$%6&) !"#$%&'(' )*+,#%"-(., /$"0'(#+,#%"-(., 45"$%6&) 6:;<=> 0'7%-/!-,#1( -./0,*'"1 0'9%-/!-,#1( !"#$%&'('75#,8 ;:6 12"$%3&* )'4%.0!.,#5( 3405-'6,)& )243.%#$5 45"$%6'21 45"$%6'21 !"#$% 3:)* 0596-%#$1 0576-%#$1 45"$%0#2-,( 45"$%0#2-,( 896:0#2-,( ?>6@0#2-,( *+, *-, 12"$%)#6.,( 7839)#6.,( *., &#'"()' Provenance for Reproducibility and Beyond Juliana Freire 44 Querying and Efficiency Wildcard queries – Given a partial query graph q, a w in W satisfies q if q and w are isomorphic – Useful for exploratory searches and to suggest completions Existing graph indexing approaches do not efficiently support these queries – Queries are disconnected graphs – Result sets are potentially large Our approach [Koop et al., submitted 2010] – 2-component frequent subgraphs---support vague queries – Summary graphs reduce the number of results that need to be checked Provenance for Reproducibility and Beyond Juliana Freire 45 Creating Workflows Complex workflows are hard to assemble – Programming expertise – Domain knowledge – Familiarity with different tools Provenance for Reproducibility and Beyond Steep learning curve Juliana Freire 46 Refining Analyses by Analogy Leverage the wisdom of the crowds in shared provenance – Some refinements are common, e.g., change the rendering technique, publish image on the Web Apply refinements by analogy, automatically Provenance for Reproducibility and Beyond Juliana Freire 47 Generating Visualizations by Analogy [Scheidegger et al, IEEE TVCG 2007] Provenance for Reproducibility and Beyond http://www.cs.utah.edu/~juliana/videos/Analogies.m4v Juliana Freire 48 Creating Workflows by Analogy A as 1. Compute difference: ∆(A,B) – Just like a patch! – But… D = ∆(A,B) ◦ C may not be a valid workflow 2. B is to C is to A D C Find correspondences between A and C: map(A,C) – Diffuse similarity scores across the product graph AxC using Eigenvalue decompositions 3. 4. Compute mapped difference ∆AC(A,B) =map(A,C) ∆(A,B) D = ∆AC(A,B) ◦ C [Scheidegger et al, IEEE TVCG 2007] Provenance for Reproducibility and Beyond Juliana Freire 49 The Need for Guidance in Workflow Design Provenance for Reproducibility and Beyond Juliana Freire 50 VisComplete: A Workflow Recommendation System Mine provenance collection: Identify graph fragments that co-occur in a collection of workflows Predict sets of likely workflow additions to a given partial workflow Similar to a Web browser suggesting URL completions [Koop et al., IEEE Vis 2008] Provenance for Reproducibility and Beyond Juliana Freire 51 VisComplete: A Workflow Recommendation System Mine provenance collection: Identify graph fragments that co-occur in a collection of workflows Predict sets of likely workflow additions to a given partial workflow Similar to a Web browser suggesting URL completions Provenance for Reproducibility and Beyond Juliana Freire 52 VisComplete: Demo http://www.cs.utah.edu/~juliana/videos/viscomplete_h_264.mov Provenance for Reproducibility and Beyond Juliana Freire 53 The VisTrails System Comprehensive provenance infrastructure for computational tasks Focus on exploratory tasks such as simulation, visualization, and data analysis Transparently tracks provenance of the discovery process---from data acquisition to visualization – The trail followed as users generate and test hypotheses Leverage provenance to streamline exploration Focus on usability—build tools for scientists Featured as an NSF discovery Provenance for Reproducibility and Beyond Juliana Freire 54 The VisTrails System VisTrails is open source: http://www.vistrails.org Multi-platform: Linux, Mac, Windows – Written in Python + Qt Over 13,000 downloads in 2 years Many users in different disciplines and countries • Visualizing environmental simulations (CMOP STC) • Simulation for solid, fluid and structural mechanics (Galileo Network, UFRJ Brazil) • Quantum physics simulations (ALPS, ETH Switzerland) • Climate analysis (CDAT) • Habitat modeling (USGS) • Open Wildland Fire Modeling (U. Colorado, NCAR) • High-energy physics (LEPP, Cornell) • Cosmology simulations (LANL) Provenance for Reproducibility and Beyond • Study on the use of tms for improving memory (Pyschiatry, U. Utah) • eBird (Cornell, NSF DataONE) • Astrophysical Systems (Tohline, LSU) • NIH NBCR (UCSD) • Pervasive Technology Labs (Heiland, Indiana University) • Linköping University (Sweden) • University of North Carolina, Chapel Hill • UTEP Juliana Freire 55 Climate Data Analysis [CDAT Project, Lawrence Livermore National Lab] Provenance for Reproducibility and Beyond Juliana Freire 56 56 Quantum Lattice Models [ALPS Project, ETH-Zurich] Provenance for Reproducibility and Beyond Juliana Freire 57 Coastal Margin Observation & Prediction [NSF Science & Technology Center for Coastal Margin Observation & Prediction] Provenance for Reproducibility and Beyond Juliana Freire 58 Comparing Cosmological Simulations [Cosmic Code Comparison Project, Los Alamos National Lab] Provenance for Reproducibility and Beyond Juliana Freire 59 Wildfire Prediction [WRF-Fire Project, University of Colorado-Denver] Provenance for Reproducibility and Beyond Juliana Freire 60 Studying the Effects of TMS on Memory [Psychiatry-U of Utah] Provenance for Reproducibility and Beyond Juliana Freire 61 Emerging Applications is currently the six-time Grand Champion of the Tour de France. It reports that the physiological factor most relevant to performance improvement as he matured over the 7-yr period from ages 21 to 28 yr was an 8% improvement in muscular efficiency when cycling. This adaptation combined with relatively large reductions in body fat and thus body weight (e.g., 78 –72 kg) during the months before the Tour de France J Appl Physiol 98: 2191–2196, 2005. contributed to an impressive 18%doi:10.1152/japplphysiol.00216.2005. improvement in his powerFirst published March 17, 2005; to-body weight ratio (i.e., W/kg) when cycling at a given V̇O2 (e.g., 5.0 l/min or !83% V̇O2 max). Remarkably, this individual was able to display these achievements despite the fact that he displayeddeveloped as Tour de France matures advanced cancer at agechampion 25 yr and required surgeries and chemotherapy. Scientific Publications and Provenance Improved muscular efficiency Edward F. Coyle Human Performance Laboratory, Department of Kinesiology and Health Education, The University of Texas at Austin, Austin, Texas Submitted 22 February 2005; accepted in final form 10 March 2005 maximum oxygen uptake; blood lactate concentration Provenance MUCH HAS BEEN LEARNED about the physiological factors that contribute to endurance performance ability by simply describing the characteristics of elite endurance athletes in sports such as distance running, bicycle racing, and cross-country skiing. The numerous physiological determinants of endurance have been organized into a model that integrates such factors as maximal oxygen uptake (V̇O2 max), the blood lactate threshold, and Reproducibility muscular efficiency, as theseBeyond have been found to be the for and most important variables (7, 8, 15, 21). A common approach has been to measure these physiological factors in a given athlete at one point in time during their competitive career and ages 21 to 28 y. Description of this person is noteworthy for two reasons. First, he rose to become a six-time and present Grand Champion of the Tour de France, and thus adaptations relevant to this feat were identified. Remarkably, he accomplished this after developing and receiving treatment for advanced cancer. Therefore, this report is also important because it provides insight, although limited, regarding the recovery of “performance physiology” after successful treatment for adFig. 1. Mechanical efficiency when bicycling expressed as “gross efficiency” vanced cancer. The of this study will be to World report and “delta efficiency” overapproach the 7-yr period in this individual. WC, results from standardized laboratory on this individual Bicycle Road Racing Championships, 1st and 4thtesting place, respectively. Tour de France 1st,time Grand Champion of the Tour de in 199921.5, –2004.22.0, 25.9, at five points corresponding toFrance ages 21.1, and 28.2 yr. J Appl Physiol • VOL Downloaded from jap.physiology.org on February 15, 2009 Coyle, Edward F. Improved muscular efficiency displayed as Tour de France champion matures. J Appl Physiol 98: 2191–2196, 2005. First published March 17, 2005;doi:10.1152/japplphysiol.00216.2005.— This case describes the physiological maturation from ages 21 to 28 yr of the bicyclist who has now become the six-time consecutive Grand Champion of the Tour de France, at ages 27–32 yr. Maximal oxygen uptake (V̇O2 max) in the trained state remained at !6 l/min, lean body weight remained at !70 kg, and maximal heart rate declined from 207 to 200 beats/min. Blood lactate threshold was typical of competitive cyclists in that it occurred at 76 – 85% V̇O2 max, yet maximal blood lactate concentration was remarkably low in the trained state. It appears that an 8% improvement in muscular efficiency and thus power production when cycling at a given oxygen uptake (V̇O2) is the characteristic that improved most as this athlete matured from ages 21 to 28 yr. It is noteworthy that at age 25 yr, this champion developed advanced cancer, requiring surgeries and chemotherapy. During the months leading up to each of his Tour de France victories, he reduced body weight and body fat by 4 –7 kg (i.e., !7%). Therefore, over the 7-yr period, an improvement in muscular efficiency and reduced body fat contributed equally to a remarkable 18% improvement in his steady-state power per kilogram body weight when cycling at a given V̇O2 (e.g., 5 l/min). It is hypothesized that the improved muscular efficiency probably reflects changes in muscle myosin type stimulated from years of training intensely for 3– 6 h on most days. whom subsequently raced professio period of 1989 –1995. The five-tim Tour de France during the years 19 to possess a V̇O2 max of 6.4 l/min an a body weight of 81 kg (28). La subject in our study were not ma France; however, with the cons V̇O2 max was at least 6.1 l/min an weight of 72 kg, we estimate his V̇ 85 ml!kg"1 !min"1 during the per Tour de France. Therefore, his V̇O weight during his victories of 1999 what higher than what was reporte 1991–1995 and to be among the high class runners and bicyclists (e.g., 80 – 16, 28, 29) It is generally appreciated that in success in endurance sports also req for prolonged periods at a high per as the ability to efficiently convert muscular power and velocity (5, 7, blood LT (e.g., 1 mM increase in bl in absolute terms or as a percentag reasonably good predictor of aero that a given rate of ATP turnover c 21), and prediction is strengthened ment of muscle capillary density i Capillary density is thought to be muscle’s ability to clear fatiguing m muscle fibers into the circulation, 98 • JUNE 2005 • METHODS General testing sequence. On reporting to the laboratory, training, racing, and medical histories were obtained, body weight was measured ("0.1 kg), and the following tests were performed after informed consent was obtained, with procedures approved by the Internal Review Board of The University of Texas at Austin. Mechanical efficiency and the blood lactate threshold (LT) were determined as the subject bicycled a stationary ergometer for 25 min, with work rate increasing progressively every 5 min over a range of 50, 60, 70, 80, and 90% V̇O2 max. After a 10- to 20-min period of active recovery, V̇O2 max when cycling was measured. Thereafter, body composition was determined by hydrostatic weighing and/or analysis of skin-fold thickness (34, 35). Measurement of V̇O2 max. The same Monark ergometer (model 819) equipped with a racing seat and drop handlebars and pedals for cycling shoes was used for all cycle testing, and seat height and saddle position were held constant. The pedal’s crank length was 170 mm. V̇O2 max was measured during continuous cycling lasting between 8 and 12 min, with work rate increasing every 2 min. A leveling off of oxygen uptake (V̇O2) always occurred, and this individual cycled until exhaustion at a final power output that was 10 –20% higher than the Juliana minimal power output needed to elicit V̇O2 max. A venous blood sample was obtained 3– 4 min after exhaustion for determination of blood lactate concentration after maximal exercise, as described below. The subject breathed through a Daniels valve; expired gases www.jap.org Freire 64 is currently the six-time Grand Champion of the Tour de France. It reports that the physiological factor most relevant to performance improvement as he matured over the 7-yr period from ages 21 to 28 yr was an 8% improvement in muscular efficiency when cycling. This adaptation combined with relatively large reductions in body fat and thus body weight (e.g., 78 –72 kg) during the months before the Tour de France J Appl Physiol 98: 2191–2196, 2005. contributed to an impressive 18%doi:10.1152/japplphysiol.00216.2005. improvement in his powerFirst published March 17, 2005; to-body weight ratio (i.e., W/kg) when cycling at a given V̇O2 (e.g., 5.0 l/min or !83% V̇O2 max). Remarkably, this individual was able to display these achievements despite the fact that he displayeddeveloped as Tour de France matures advanced cancer at agechampion 25 yr and required surgeries and chemotherapy. Scientific Publications and Provenance Improved muscular efficiency Edward F. Coyle Human Performance Laboratory, Department of Kinesiology and Health Education, The University of Texas at Austin, Austin, Texas whom subsequently raced professio period of 1989 –1995. The five-tim Tour de France during the years 19 to possess a V̇O2 max of 6.4 l/min an a body weight of 81 kg (28). La subject in our study were not ma France; however, with the cons V̇O2 max was at least 6.1 l/min an weight of 72 kg, we estimate his V̇ 85 ml!kg"1 !min"1 during the per Tour de France. Therefore, his V̇O weight during his victories of 1999 what higher than what was reporte 1991–1995 and to be among the high class runners and bicyclists (e.g., 80 – 16, 28, 29) It is generally appreciated that in success in endurance sports also req for prolonged periods at a high per as the ability to efficiently convert muscular power and velocity (5, 7, blood LT (e.g., 1 mM increase in bl in absolute terms or as a percentag reasonably good predictor of aero that a given rate of ATP turnover c 21), and prediction is strengthened ment of muscle capillary density i Capillary density is thought to be muscle’s ability to clear fatiguing m muscle fibers into the circulation, Submitted 22 February 2005; accepted in final form 10 March 2005 O2 max O2 max power production when cycling at a given oxygen uptake (V̇O2) is the characteristic that improved most as this athlete matured from ages 21 to 28 yr. It is noteworthy that at age 25 yr, this champion developed advanced cancer, requiring surgeries and chemotherapy. During the months leading up to each of his Tour de France victories, he reduced body weight and body fat by 4 –7 kg (i.e., !7%). Therefore, over the 7-yr period, an improvement in muscular efficiency and reduced body fat contributed equally to a remarkable 18% improvement in his steady-state power per kilogram body weight when cycling at a given V̇O2 (e.g., 5 l/min). It is hypothesized that the improved muscular efficiency probably reflects changes in muscle myosin type stimulated from years of training intensely for 3– 6 h on most days. Fig. 1. Mechanical efficiency when bicycling expressed as “gross efficiency” and “delta efficiency” over the 7-yr period in this individual. WC, World Bicycle Road Racing Championships, 1st and 4th place, respectively. Tour de France 1st, Grand Champion of the Tour de France in 1999 –2004. and 28.2 yr. J Appl Physiol • VOL Downloaded from jap.physiology.org on February 15, 2009 "raw data from the January 1993 test that revealed several additional published methodology. Coyle Coyle, Edward F. deviations Improved muscular efficiencyfrom displayed as the Tour ages 21 to 28 y. Description of this person is noteworthy for de France champion matures. J Appl Physiol 98: 2191–2196, 2005. First two reasons. First, he rose to become a six-time and present published March 17, 2005;doi:10.1152/japplphysiol.00216.2005.— Grand Champion of the Tour de France, and thus adaptations used 20-min ergometer (not 25 min), including 2This case a describes the physiological maturation from ages 21 to protocol 28 yr relevant to this feat were identified. Remarkably, he accomof the bicyclist who has now become the six-time consecutive Grand plished this after developing and receiving treatment for adChampion of the Tour stages de France, at ages 27–32 yr. Maximalrespiratory oxygen and 3-min where exchange ratios (RER) ) in the trained state remained at !6 l/min, lean body vanced cancer. Therefore, this report is also important because uptake (V̇ it provides insight, although limited, regarding the recovery of weight remained at !70 kg, and maximal heart rate declined from 207 “performance physiology” successful adexceeded 1.00. AnwasRER >1.00 invalidatesafteruse oftreatment theforLusk to 200 beats/min. Blood lactate threshold typical of competitive , yet maximal blood vanced cancer. The approach of this study will be to report cyclists in that it occurred at 76 – 85% V̇ lactate concentration was remarkably low in the trained state. It results from standardized laboratory testing on this individual equations (5) toin estimate expenditure.” appears that an 8% improvement muscular efficiency andenergy thus at five time points corresponding to ages 21.1, 21.5, 22.0, 25.9, 98 • JUNE 2005 • METHODS www.jap.org General testing sequence. On reporting are to the laboratory, training, ”…all of the published delta efficiency values wrong. … racing, and medical histories were obtained, body weight was measured ("0.1 kg), and the following tests were performed after inthere exists no credible evidence to was support Coyle's formed consent obtained, with procedures approved by the Internal Review Board of The University of Texas at Austin. Mechanical efficiencyefficiency and the blood lactate threshold (LT) were deterconclusion that Armstrong's muscle improved." mined as the subject bicycled a stationary ergometer for 25 min, with maximum oxygen uptake; blood lactate concentration work rate increasing progressively every 5 min over a range of 50, 60, 70, 80, and 90% V̇O2 max. After a 10- to 20-min period of active recovery, V̇O2 max when cycling was measured. Thereafter, body composition was determined by hydrostatic weighing and/or analysis of skin-fold thickness (34, 35). Measurement of V̇O2 max. The same Monark ergometer (model 819) equipped with a racing seat and drop handlebars and pedals for cycling shoes was used for all cycle testing, and seat height and saddle position were held constant. The pedal’s crank length was 170 mm. V̇O2 max was measured during continuous cycling lasting between 8 and 12 min, with work rate increasing every 2 min. A leveling off of oxygen uptake (V̇O2) always occurred, and this individual cycled until exhaustion at a final power output that was 10 –20% higher than the Juliana minimal power output needed to elicit V̇O2 max. A venous blood sample was obtained 3– 4 min after exhaustion for determination of blood lactate concentration after maximal exercise, as described below. The subject breathed through a Daniels valve; expired gases http://jap.physiology.org/cgi/content/full/105/3/1020 Provenance MUCH HAS BEEN LEARNED about the physiological factors that contribute to endurance performance ability by simply describing the characteristics of elite endurance athletes in sports such as distance running, bicycle racing, and cross-country skiing. The numerous physiological determinants of endurance have been organized into a model that integrates such factors as maximal oxygen uptake (V̇O2 max), the blood lactate threshold, and Reproducibility muscular efficiency, as theseBeyond have been found to be the for and most important variables (7, 8, 15, 21). A common approach has been to measure these physiological factors in a given athlete at one point in time during their competitive career and Freire 65 Provenance-Rich Publications Bridge the gap between the scientific process and publications Results that can be reproduced and validated – Papers with deep captions – Encouraged by ACM SIGMOD and a number of journals Describe more of the discovery process: people only describe successes, can we learn from mistakes? Support dynamic (interactive) publications – Evolve over time – Blog/wiki like=> Science 2.0 – E.g., http://project.liquidpub.org Provenance for Reproducibility and Beyond Juliana Freire 66 Provenance-Rich Documents Provenance for Reproducibility and Beyond Juliana Freire 67 Provenance and Teaching (1) Leverage provenance to improve the way we teach CS and Science – http://www.vistrails.org/index.php/SciVisFall2008 – Also used at UNC, Linkoping, UTEP – Lecture provenance: student can reproduce results Provenance for Reproducibility and Beyond Juliana Freire 68 Provenance and Teaching (2) Homework provenance provides insights regarding – Task complexity and nature: number of actions; structural vs. parameter changes; task duration – Student confusion: large branching factor=lots of trial and error steps Very detailed (and honest!) feedback: instructors can leverage this information [Lins et al., SSDBM 2008] Provenance for Reproducibility and Beyond Juliana Freire 69 Provenance and Teaching (3) Homework provenance helps students and instructors to collaborate – Student is stuck, sends his provenance – Instructor understands studentʼs problem, provides hints---student can see what instructor did! – They can also collaborate in real time [Ellkvist et al., IPAW 2008] Provenance for Reproducibility and Beyond Juliana Freire 70 Using Provenance to Teach Electronic Media [Langefeld and Kessler, Submitted 2009] “[...] The students have gotten to the point where they demand the VisTrails files for every demonstration just after I complete [it]” “[...] students used [a vistrail instead of a reference model] 62% of the time” Provenance for Reproducibility and Beyond Juliana Freire 71 Using Provenance to Teach Electronic Media http://www.cs.utah.edu/~juliana/videos/maya_playback_slow.mov Provenance for Reproducibility and Beyond Juliana Freire 72 Using Provenance to Teach Electronic Media [Langefeld and Kessler, Submitted 2009] “[...] The students have gotten to the point where they demand the VisTrails files for every demonstration just after I complete [it]” “[...] students used [a vistrail instead of a reference model] 62% of the time” “Students who used provenance produced higherquality models” Provenance for Reproducibility and Beyond Juliana Freire 73 Science 2.0 Web 2.0 technologies has opened up new opportunities to improve collaboration and information sharing in science [Shneiderman, Science 2008; Waldrop, Scientific American 2008] Need provenance: determine authorship, enforce intellectual property rights, validate the integrity of artifacts and assess their quality, and to reproduce the artifact Social Data Analysis: Share data, processes and provenance Provenance for Reproducibility and Beyond Juliana Freire 74 Conclusions and Future Work Provenance management is crucial in many applications Change-based provenance model New algorithms and usable tools for querying and re-using provenance information The open-source VisTrails system: provides unique capabilities essential for cyberinfrastructure Sharing provenance creates new opportunities [Freire and Silva, CHI SDA, 2008] – Expose users to different techniques and tools – Users can learn by example; expedite their training; and potentially reduce their time to insight Many challenges and several open computer science questions Provenance for Reproducibility and Beyond Juliana Freire 75 Acknowledgments Thanks to VisTrails and Web&DB groups This work is partially supported by the National Science Foundation, the Department of Energy, an IBM Faculty Award, and a University of Utah Seed Grant. Provenance for Reproducibility and Beyond Juliana Freire 76 Thank you