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A - Papers appearing in refereed journals

Crout, N. M. J., Craigon, J., Cox, G. M., Jao, Y., Tarsitano, D., Wood, A.

T. A. and Semenov, M. A. 2014. An objective approach to model

reduction: application to the Sirius wheat model. Agricultural and Forest

Meteorology. 189-190, pp. 211-219.

The publisher's version can be accessed at:

https://dx.doi.org/10.1016/j.agrformet.2014.01.010

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ContentslistsavailableatScienceDirect

Agricultural

and

Forest

Meteorology

jo u rn al h om ep a g e :w w w . e l s e v i e r . c o m / l o c a t e / a g r f o r m e t

An

objective

approach

to

model

reduction:

Application

to

the

Sirius

wheat

model

N.M.J.

Crout

a,∗

,

J.

Craigon

a

,

G.M.

Cox

a

,

Y.

Jao

a

,

D.

Tarsitano

a

,

A.T.A.

Wood

b

,

M.

Semenov

c aSchoolofBiosciences,UniversityofNottingham,Loughborough,LE125RD,UK

bSchoolofMathematicalScience,UniversityofNottingham,NottinghamNG72RD,UK

cComputationalandSystemsBiologyDepartment,RothamstedResearch,Harpenden,HertsAL52JQ,UK

a

r

t

i

c

l

e

i

n

f

o

Articlehistory: Received15April2013 Receivedinrevisedform 21November2013 Accepted13January2014

Keywords: Cropmodel Wheat Evaluation Complexity Modelreduction Parsimony

a

b

s

t

r

a

c

t

Anexistingsimulationmodelofwheatgrowthanddevelopment,Sirius,wasevaluatedthrougha

system-aticmodelreductionprocedure.Themodelwasautomaticallymanipulatedundersoftwarecontrolto

replacevariableswithinthemodelstructurewithconstants,individuallyandincombination.Predictions

oftheresultantmodelswerecomparedtogrowthanalysisobservationsoftotalbiomass,grainyield,and

canopyleafareaderivedfrom9trialsconductedintheUKandNewZealandunderoptimal,nitrogen

limitinganddroughtconditions.Modelperformanceinpredictingtheseobservationswascomparedin

ordertoevaluatewhetherindividualmodelvariablescontributedpositivelytotheoverallprediction.

Ofthe111modelvariablesconsidered16wereidentifiedaspotentiallyredundant.Areasofthemodel

wheretherewasevidenceofredundancywere:(a)translocationofbiomasscarbontograin;(b)nitrogen

physiology;(c)adjustmentofairtemperatureforvariousmodelledprocesses;(d)allowancefordiurnal

variationintemperature;(e)vernalisation(f)soilnitrogenmineralisation(g)soilsurfaceevaporation.

Itisnotsuggestedthatthesearenotimportantprocessesinrealcrops,rather,thattheirrepresentation

inthemodelcannotbejustifiedinthecontextoftheanalysis.Theapproachdescribedisanalogousto

adetailedmodelinter-comparisonalthoughitwouldbebetterdescribedasamodelintra-comparison

asitisbasedonthecomparisonofmanysimplifiedformsofthesamemodel.Theapproachprovides

automationtoincreasetheefficiencyoftheevaluationandasystematicmeansofincreasingtherigour

oftheevaluation.

©2014TheAuthors.PublishedbyElsevierB.V.

1. Introduction

Simulationmodelsthatpredicttheyieldofagriculturalcrops fromweather,soilandmanagementdatahaveprovidedafocus for cropphysiological researchover thelast threedecades and havecontributedtocurrentunderstandingofcrop-environment interactions.Manysuchmodelshavebeendevelopedforawide rangeof crops,for example,STICS (Brisson etal.,2003), APSIM (Keatingetal.,2003),andDSSAT(Jonesetal.,2003).Thegrowth and developmentof agriculturalcropsin thefield is theresult of non-linear and inter-related processes, and as a result crop modelsarenecessarilycomplex.Evenwhenamodelapproximates individualprocessesbyrelativelysimplerelationships,therearea

∗Correspondingauthorat:SchoolofBiosciences,UniversityofNottingham, Sut-tonBonington,LE125RD,UK.Tel.:+441158516.

E-mailaddress:[email protected](N.M.J.Crout).

largenumberofinter-actingprocessesthathavetobeconsidered. Thereforethecomplexityofcropmodelstypicallyarisesfromthe inter-relationships between modelled mechanisms rather than thesophisticationofindividualprocessrepresentation.Thelevel of detail, the number of processes considered, and the means wherebytheyinteractareallchoicestobemadeinthedesignof themodelleadingtoaverydiverserangeofcropmodeldesigns and,asaresult,aneedforeffectivemethodsofmodelevaluation. Thepurposeof a modelis vitalin defining theapproachtaken toitsdesignandevaluation(Jakemanetal.,2006).ForJamieson et al. (1998b) the explicitaim of a crop model was improved understanding of thecrop’s response toits environment. They describedacropmodelasa‘...collectionoftestablehypotheses...’ and viewedmodel inter-comparisonasamethodoftesting the hypothesesembeddedinthemodelsthroughanexaminationof theirabilitytopredictdetailed withinseasonmeasurementsof thecropsgrowthanddevelopment.ForexampleJamiesonetal. (1998b)presenteda comparisonoftheperformanceof 5wheat modelswithrespecttocropandenvironmentaldatafromwithin the growing season. Their conclusions were directed towards themechanistic basis of thedifferent models.For example the

0168-1923 ©2014TheAuthors.PublishedbyElsevierB.V.

http://dx.doi.org/10.1016/j.agrformet.2014.01.010

Open access under CC BY license.

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212 N.M.J.Croutetal./AgriculturalandForestMeteorology189–190(2014)211–219

assumptionsabouttheroleofrootdistributiononwateruptake and the influence of water stress on canopy expansion were highlightedasimportantdifferencesinthemodelsconsidered.

Manyresearchers(Croutetal.,2009;Coxetal.,2006;Anderson, 2005;Kimminsetal.,2008;Bernhardt,2008;Smithetal.,2010) haveemphasisedtheneedforasystematic evaluationofmodel structure. Crout et al. (2009) proposed a conceptually simple methodforundertakinganevaluationofmodelstructureby reduc-ingamodelthroughthereplacementofvariablequantitieswith constants.Byiterativelyreplacingdifferentvariablesin combina-tionwithoneanotherasetofalternativemodelformulationswere created.Theabilityofthereducedmodelstopredictobservations wasthencomparedwiththeoriginalmodelinordertotestthe importanceofthereplacedvariablesinthemodel.Todate pub-lishedworkwiththisapproachhasconsideredrelativelysimple models(e.g.Tarsitano etal., 2011).In thisworkwe extendthe approachtothemorechallengingcase ofafullcropsimulation model withtheaimof explicitly testing the hypothesesof the model.Theusefulnessoftheanalysisisdependentonthereliability andcomprehensivenessoftheobservationaldataused.Inevitably thedataavailablearepartial,andthereforeanymodelanalysisis limitedtosomeextent.Neverthelesswearguethatthisapproach providesgreatersupportforthemodeldesignthansimply com-paringthepredictionsofthefullmodelwithobservations.

2. Methods

2.1. Siriusmodel

A typical example of a process-based wheat model is Sir-ius.Thismodelcalculates biomassproduction fromintercepted photosyntheticallyactive radiationand graingrowthfrom sim-plepartitioningrules (Jamiesonet al.,1998b)utilisingnitrogen responseandphenologicaldevelopmentsub-modelsdescribedby

Jamieson and Semenov (2000). Sirius is an actively developing modelcurrentlybeingappliedatanumberoflevels,frombasic researchtoon-farmdecisionsupport(e.g.SemenovandShewry, 2011;Semenovetal.,2009).

2.2. Observationaldataandmodelcalibration

The reduction approach requires a quantitative comparison between model predictions and observations. In principle this canbebasedonanyrelevantdataseriesavailable.Ourpurpose wasto mechanisticallyevaluate theperformance of the model inreproducingthepatternofgrowthanddevelopmentwithina growingseasonaswellasbetweensitesandseasons(i.e.testing thedescriptionof a growingcropnot just the final yield).We thereforeselecteddatafromtrialswheredetailedgrowthanalysis had been conducted including cases where the major abiotic stressesofnitrogenandwaterlimitationwerepresent.

Datafrom9trialshavebeenusedfortheanalysis(Table1):(i) aspringwheatstudyatLincolnNewZealandwithfourlevelsof watersupply(ii)winterwheattrialsatthreesitesintheUKwith highnitrogenapplicationratesand(iii)afurtherUKwinterwheat trialwithtwolevelsofnitrogenapplication.

Typicallycropmodelsarecalibratedforusewithparticular culti-varsandrequiresitespecificinputsforweatherandsoilconditions. SiriushadbeenpreviouslyappliedtotheNewZealandfielddataby

JamiesonandSemenov(2000)andtheircultivarandsite param-eterswereemployedforthis work.TheUKfieldtrials usedthe cultivarMercia,for whichSiriushad beencalibratedpreviously usingfieldexperimentsintheUK(Wolfetal.,1996;Ewertetal., 2002;Lawlessetal.,2005).Soilandweathercharacteristicsused wereasreportedbyGillettetal.(1999).

2.3. Overviewofreductionprocedure

Theapproachwastocomparethepredictiveperformance(skill) ofalargenumberofalternativemodelformulations.Thesewere basedontheoriginalfullmodelbutwithspecificvariablesreplaced byconstantvalues.Inthiscontextmodelvariablesweredefined as internalquantities calculated usingan assumed relationship expressedintermsofthemodel’sparameters,inputvariablesand othermodelvariables.Thisdefinitionofmodelvariableswas par-tiallysubjectivebecauseintermediatestepsinamodelcalculation couldbedefinedasindividualmodelvariables,orcombinedinto alargerrelationshipasasinglemodelvariable.Suchchoicesoften dependupontherequirementsofspecificcomputer implementa-tion.However,weregardedeachmodelvariableashavingaspecific mechanisticroleinthemodelanddefinedavariableasaspecific modelcomponentwhosevaluewasallowedtochangeduringthe runofthemodel(Coxetal.,2006).Wethereforetestedtheeffectof fixinga modelvariabletoaconstantonthemodel’sskill.Ifthe variablewasimportant for modelprediction onewould expect replacingitwithaconstant tohave adetrimentaleffectonthe comparisonbetweenobservationsandpredictions.

As the assessment of model skillwas based ona compari-sonofobservationsandmodelpredictions(describedbelow),the approachwasexplicitlyreliantonobservationaldata.Theutilityof theanalysiswasthereforedirectlydependentonthequalityand scopeofthedataused.

Thekeystepsintheanalysiswere:

1.Implementation. The analysis was undertaken using a soft-ware environment which manages the variable replace-ment on the fly under programmatic control (OpenModel;

www.nottingham.ac.uk/environmental-modelling.htm). There-fore the first step was to implement the model within this environmentandcheckitsbehaviourtoensureitisthesame astheoriginalsourcemodel.Thiswasaccomplishedthrough comparisonstotheoriginalhardcodedSiriusmodel.

Table1

Summaryoftheexperimentaltrialsusedfortheanalysis.

Trial Sites Cultivar Treatments Year Measurementsmade(figuresin

parenthesisarethenumberof observationaldataavailable)

NZwaterstress(Jamieson andSemenov,2000; Jamiesonetal.,1998a)

Lincoln Battenspring wheat

4levelsofrain shelter

1991–2 Timeseriesoftotalbiomass(48), grainbiomass(35),LAI(59)

UKintensivemanagement (Gillettetal.,1999)

SuttonBonington, Boxworth, Gleadthorpe

Mercia Notreatments, maximuminputs

1992–3 Timeseriesoftotalbiomass(72), grainbiomass,LAI(41),leaf number(74)andanthesisdate(3) UKnitrogenstress

(Gillettetal.,1999)

SuttonBonington Mercia Appliednitrogen levelsof0and 90kgha−1

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2.Evaluationofmodelstructuretoenabletheidentificationof can-didatevariablesforreductionanalysis.Notallthevariablesinthe modelmeritedinvestigation.Forexample,manyvariablesinthe modelcodewerefordiagnosticoroutputpurposesandnotpart ofthemodelsfunctionalstructure.Useofthereductionsoftware facilitatedasyntacticalanalysisofthemodelstructureto iden-tifyvariableswhichhadatechnicaloroperationalfunctionin themodelcode.Theremaining111variables,representingthe modelledprocesses,wereconsideredinthescreeninganalysis. 3.Screening analysis. The computational requirements of the reductionprocedureincreasewiththenumberofvariables con-sidered.Thereforeascreeninganalysiswasconductedtoassist inrefiningthelistofcandidatevariables.Thisinvolvedreplacing variablesindividually(oneatatime)ratherthanincombination. 4.Multi-factorial reductionanalysis.In this stagethecandidate model variables were replaced in combination in order to explorethesetofpossiblemodelreplacementsasfullyas possi-ble.

2.4. Estimationofmodelperformance

Weightedresidualsums ofsquares,RSS,werecalculated for eachmodelpermutationconsidered.Theweightsusedwerethe estimatedstandarderrorsoftheobservations.Theseweretakenas 10,10and20%oftheobservedvalueforthebiomass,grainweight andLAIvaluesrespectively.Thesefractionalstandarderrorvalues wereselectedonthebasisofexperiencewithcropanalysisdata sets.Overallmodelperformancewassummarisedbycalculating coefficientsofdetermination(alsoknownasNash–Sutcliffemodel efficiency(NashandSutcliffe,1970)),NS,

NS=1−

(Oj−Mj) sj

2

(Oj−O¯) sj

2 (1)

whereOjandMjwerethejthobservationandmodelprediction

respectively,sjistheestimatedstandarderrorofthejth

observa-tion,and ¯Owasthemeanoftheobservations.NSisanalogoustor2

inregressionanalysis,themethodofcalculationisidentical, how-ever,theMivaluesareforthemodelconsidered,notnecessarily

thebestfittingmodel.Therefore,unliker2,NScanbenegative.

Inpreviouswork(Croutetal.,2009;Tarsitanoetal.,2011)we usedestimatesofthelikelihoodintegratedoverthemodels param-eterspace(KassandRafferty,1995)asmeasuresoftheprediction skillof eachreduced model combination. However,in thecase ofSirius,modelparametersandreplacementconstantswerenot fittedforeachreducedmodelcombination.Thereforetheuseof integratedmodellikelihoodwasnotappropriateandweemployed aninformalapproachrelatingbeliefinthemodeltotheweighted residualsumsofthesquares.Thisissimilartotheuseofinformal likelihoodsasdiscussedbyBeven(2009).Apseudo-likelihood(Q) wascalculatedforeachreducedmodelcombinationusingan infor-malrelationshipbetweentheresidualsumsofthesquaresofthe reducedandfullmodels

Qi=Aexp

ln(0.5) (RSS

full−RSSi)

˛

(2)

whereAisanormalisationconstantsuchthat

Qi=1overthe

modelsconsidered;RSSfullandRSSiaretheweightedresidualsums

ofsquaresforthefullmodelandithreducedmodelrespectively and˛isaconstantwhosevaluecontrolshowchangesinRSSaffect beliefinthemodel(asmeasuredbyQi).Forexample,ifRSSiexceeds

RSSfullby˛,QiwillbehalfthevalueofQfull.

TheuseoftheinformalQivaluesaspseudo-likelihoodsrequired

cautiousinterpretation.Howeverouraimwastoassessthe mecha-nisticbasisofthemodel,notobtainabsoluteprobabilityvalues.The

effectofchangingthevalueof˛ontheinterpretationwas inves-tigatedbycalculatingtheQiswith˛setat2.5,5.0and10%ofthe

valueofRSSfull.

2.5. Screeninganalysis

Inthescreeninganalysiseach variablewasreplaced individ-ually. Thevalue ofthereplacement constant wasestimatedby minimisingthemodelresidualsumofsquares,subjecttothe con-straintthatthevaluemustbewithintherangethevariabletakes intherunofthefull(unreduced)model.Thesereplacementvalues wereusedthroughoutthesubsequentanalysis.

Variableswhosereplacementhadlittleornodetrimentaleffect onmodelperformancewereconsideredforinclusioninthe multi-factorialanalysis.Whereanumberofthepotentialvariablesrelated tothesameprocess,switchvariableswereintroducedtothecode whichenabledtheeffectofreplacingtheresultofwholeprocess byaconstanttobeconsidered.Forexample,theadjustmentofsoil maximumtemperaturefromobservedmaximumairtemperature wasmodelledusingarelationshipinvolvingtwomodelvariables (ENAVandTADJ)calculatedelsewhereinthemodel.Ratherthan replacetheseindividuallyitwasmoreconvenienttomodifythe modelcodeandintroduceaswitchvariabletoreducethe mod-elled valueof soil maximum temperatureto themaximum air temperature,thereby testingtherole of ENAVand TADJ simul-taneously.Switchvariablesofthistypewereintroducedforsoil minimum temperature,soilmaximum temperatureand adjust-mentofcanopytemperaturefromairtemperature.Ineachcase replacing the switch variable with zero reduced the tempera-turevariabletotheappropriateairtemperature.Furtherswitch variableswereintroducedtoreducethediurnalvariationin tem-peratureusedformanytemperaturedependentprocessesinthe modeltoadailymeantemperatureandtoswitchoffthe vernali-sationsub-model.

2.6. Multi-factorialanalysis

Thereare2N1differentpossiblecombinationsofreplacements

forNcandidatevariables.Searchingthisreplacementspaceisnot possibleexhaustivelyforevenmoderatevaluesofN.Thereforea stochasticsearchbasedontheMetropolis–Hastingprinciplewas used(e.g.VanOijenetal.,2005;Hastings,1970).Thestateofeach candidatevariablewaseithernormalorreplaced.Theprocedure movedthroughthesearchspacebychangingthesestates.Foreach iterationa stepwasmadetoa newmodel bychangingagiven numberofthevariablestates(eitherfromnormaltoreplacedor viceversa).Thenumberofstatestochangeisadjustedoperationally toachievearandomwalkthroughthesearchspaceratherthanjust arandomsample.InthecaseofSirius,wefoundthatallowingjust onestatetochangeperiterationgavethemostefficientsearch. Theresultsoftheanalysiswereverysimilarwhenuptotwoor threestatechangesperiterationwereallowedbuttheprocedure requiredalargernumberofiterationstoconverge.

At each step the model predictions were compared to the observedvaluestocalculatethepseudo-likelihood(Q;Eq.(2)).The stepwasacceptedif

Qtrial

Qcurrent >r

(3)

whereandwhereQcurrentandQtrialwerethepseudo-likelihoods

ofthecurrentlyacceptedandtrialreducedmodelcombinations respectivelyandrwasarandomvaluebetween0and1.

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214 N.M.J.Croutetal./AgriculturalandForestMeteorology189–190(2014)211–219

0 5000 10000 15000 20000 25000 30000

g/m

2

DAS

NZ Natural Rain

0 5000 10000 15000 20000 25000 30000

g/

m

2

DAS

NZ Partial Rain

0 5000 10000 15000 20000 25000 30000

g/

m

2

DAS

NZ Partial Rain

0 5000 10000 15000 20000 25000 30000

g/

m2

DAS

NZ No Rain

0 5000 10000 15000 20000 25000 30000

g/

m

2

DAS

SB Maximum Management

0 5000 10000 15000 20000 25000 30000

g/m

2

DAS

GL Maximum Management

0 5000 10000 15000 20000 25000 30000

g/

m

2

DAS

BX Maximum Management

0 5000 10000 15000 20000 25000 30000

g/

m

2

DAS

SB No Nitrogen

0 5000 10000 15000 20000 25000 30000

50 100 150 200 250

120 170 220 270 320

g/

m2

DAS

SB Low N

50 100 150 200 250 50 100 150 200 250

50 100 150 200 250 120 170 220 270 320

120 170 220 270 320 120 170 220 270 320 120 170 220 270 320

Fig.1.Biomassandgrainweightmodelpredictionscomparedtoobservations.Inallcasesgrainweightvaluesareinthebottomrightofthegraph.Thefullmodelisthe dashedline,reducedmodelisthesolidline.

handsideofEq.(3)andforeachiterationthiswascomparedtothe randomdrawr.Theeffectisthatmoveswithasmalldetrimental impactonthemodelfitwillbeacceptedquiteoften,whereasmoves whichseriouslyworsenthefitareunlikelytobeaccepted.Although thewalkthroughthesearchspacemayreturntoapreviously eval-uatedmodelthisdoesnotadverselyaffectthesearchefficiencyin ourcaseasthepreviouslycalculatedpseudo-likelihoodvaluewas usedavoidingtheneedtore-evaluatethemodel.

Thepseudo-likelihoodswerenormalisedtounityoverthe mod-elsconsidered.Areplacementprobabilitywascalculatedforeach individualvariablebysummingthenormalisedpseudo-likelihoods forthemodelswherethegivenvariablewasreplaced.Theresults presentedwerebasedon10,000uniquemodelevaluations.The replacementprobabilitieswerereportedat suitableintervalsto ensuretheyhadstabilisedafterthisnumberofiterations(bysimple inspection).Thereplacementconstantsusedwerethoseobtained foreachofthecandidatevariablesinthescreeninganalysis.

3. Resultsanddiscussion

3.1. Fullmodel

Predictedand observed total biomass,grainweightand leaf areawerecomparedforthefullmodel(Figs.1and2respectively) andsummarisedasNash–Sutcliffestatistics(Table2).Thetrends inbiomassandgrainweightwerewellreproduced,althoughleaf arealesssatisfactory.Theoveralltimingofthecanopywaswell describedinthemodelsimulationsalthoughthecanopysizewas oftenover-predicted.Inpracticeoverpredictionofleafareatends tobedisconnectedfromthepredictionofbiomassandgrainaslight

interceptiondoesnotincreaselinearlywithcanopysize.For exam-ple,over-predictionofleafareaindexfromfourtofiveincreases fractionalinterceptionbyonly5%andthereforehaslittleeffecton predictedcropproduction.Under-predictionofleafareawouldbe expectedtohavedetrimentaleffectsonbiomassandgrainyield prediction.

3.2. Screeninganalysis

Thebehaviourofthereducedmodelsinthescreeninganalysis wassummarisedusingtheratioofRSSforthereducedmodelto thatofthefullmodel.Thedistributionofthesevaluesforthe111 variablesconsideredisshowninFig.3.Theindividualreplacement of29oftheconsideredvariablesbyaconstantincreasedtheratioof RSSforthereducedmodeltothatofthefullmodeltogreaterthan >1.1.Oftheremaining82replacements60resultedinasmallerRSS thantheoriginalfullmodel;theremaining22hadasmall detrimen-taleffect(<10%increase).These82variableswereconsideredas potentialcandidatesinthefactorialanalysis.ThereductionofRSS

Table2

Nash–Sutcliffe(NashandSutcliffe,1970)valuesforthefullandminimumreduced modelsforthepredictionoftotalbiomass,grainweightandleafareaoverallthe observationsconsidered.InthiscaseNash–Sutclifferepresentstheproportionof theweightedvariationaccountedforbythemodel,inordertobeconsistentwith themeasuresusedtosummarisemodelperformanceinthereplacementanalysis.

Fullmodel Minimummodel

Totalbiomass 0.971 0.972

Grainweight 0.845 0.868

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0 2 4 6 8 10

LA

I

DAS NZ Natural Rain

0 2 4 6 8 10

LA

I

DAS NZ Partial Rain

0 2 4 6 8 10

LA

I

DAS NZ Partial Rain

0 2 4 6 8 10

LA

I

DAS NZ No Rain

0 2 4 6 8 10

LA

I

DAS SB Maximum Management

0 2 4 6 8 10

LA

I

DAS GL Maximum Management

0 2 4 6 8 10

LA

I

DAS BX Maximum Management

0 2 4 6 8 10

LA

I

DAS SB No Nitrogen

0 2 4 6 8 10

50 100 150 200 250

120 170 220 270 320

LA

I

DAS SB Low N

50 100 150 200 250 50 100 150 200 250

50 100 150 200 250 120 170 220 270 320

120 170 220 270 320

120 170 220 270 320

120 170 220 270 320

Fig.2. Modelpredictedcanopyleafareaindex(leafareaperunitgroundarea)comparedtoobservations.Thefullmodelisthedashedline,reducedmodelisthesolidline.

inthisscreeninganalysiswasexpectedasthevaluesofthe replace-mentconstantforeachvariablewereselectedbyfittingthemtothe observeddata.Howeverthisdidsuggestedthatthesevariablesmay notbeimportantforthepredictiveperformanceofthemodel.

Uptothispointtheanalysiswasentirelyautomatic.However atthisstagemechanisticinterpretationofeachofthe82potential variablesroleinthemodelwasrequiredtoensurethatthe replace-mentofspecificvariableswasmeaningful.Forexamplesomeofthe variablesareintermediatestepsinacalculationwhosereduction

0 10 20 30 40 50 60

<0.8 0.8-0.9 0.9-1.0 1.0-1.1 1.1-1.2 1.2-1.3 1.3-1.4 1.4-1.5 >1.5

Fr

equ

en

cy

Rao of reduced model RSS to full model RSS

Fig.3.FrequencyoftheratioofreducedmodelRSStofullmodelRSSforthe111 variablesconsideredinthescreeninganalysis.

wouldbebestaccomplishedthroughthereplacementofthefinal endpointvariable.Thereplacementofsomevariableswouldbreak themassbalanceofthemodel,forexampleallowingittocreate nitrogenordrymattertotranslocatetothegrainirrespectiveofthe statusofthecrop.Onthisbasis54variableswereeliminatedfrom theanalysis.Theremaining28modelvariables,togetherwith5 switchvariableswereidentifiedforinclusioninthemulti-factorial analysis.

3.3. Multi-factorialanalysis

The evolution of the estimated replacement probability for selectedvariablesisshowninFig.4toillustratethegradual con-vergenceofthecomputationalanalysis.

Themodelscomprisingtheuppermost75%ofthemodel prob-abilitydistributionareshowninrankorderinFig.5.Thisshowsa smallnumberofrelativelybetterperformingmodels,followedby agradualdeclineinmodelperformance.Incomparisonto previ-ouslypublishedworkusingthereplacementmethod(Croutetal., 2009;Tarsitanoetal.,2011)theresultsherearenotableforthe largenumberofmodelswithrelativelysimilarperformance.

The replacement probabilities are shown in Table3.Values tendingtounityimplythatmodelperformanceimprovedwhen thevariablewasreplaced(anoisevariable).Valuesof0.5imply that modelperformancewasunaffectedwhen thevariablewas replacedbyaconstant(aredundantvariable).Valuestendingto zeroimpliedthatmodelperformancewasworsewhenthevariable wasreplaced.

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216 N.M.J.Croutetal./AgriculturalandForestMeteorology189–190(2014)211–219

Table3

Symbolsandfunctionofthemodelvariablesconsideredinthemulti-factorialanalysistogetherwiththerangeofthevariableinsimulationsofthefullmodelandreplacement probabilitiescalculatedusingthreevaluesof˛(Eq.(2)andfurtherdescribedinthemaintext).

Modelvariable Function Fullmodel

range

Replacement constant

Replacementprobability

Temperatureadjustments ˛=2.50% ˛=5% ˛=10%

S CTEMP Switchtosetcanopytemperatureto airtemperature

n/a 0 0.55 0.54 0.53

SSOILMAX Switchtosettheestimateofmaximum soiltemperaturetomaximumair temperature.Maximumsoil temperatureisusedintheearlystages ofgrowthtoestimatethetemperature controllingplantprocesses.

n/a 0 0.47 0.46 0.46

SSOILMIN Switchtosettheestimateofminimum soiltemperaturetominimumair temperature.Minimumsoil temperatureisusedintheearlystages ofgrowthtoestimatethetemperature controllingplantprocesses.

n/a 0 0.49 0.49 0.50

SHTEMP Switchtoremovethediurnal temperatureadjustmentssothatthe modelusesdailymeantemperature.

n/a 0 0.52 0.53 0.54

ENAV Asoilheatphysicscalculationfeeding intothecalculationofHCROPand maximumsoiltemperature.

0.027–19.7 0.027 0.42 0.46 0.47

HCROP Numeratorinthecorrectionappliedto airtemperaturetoestimatecanopy temperature.

−3.62–7.67 0.76 0.48 0.46 0.47

CONDUC Denominatorinthecorrectionapplied toairtemperaturetoestimatecanopy temperatureinthecanopy

temperaturecorrection

0.014–0.115 0.022 0.45 0.50 0.50

TADJ Atemperaturecorrectionbasedon meanairtempwhichfeedsinto maximumsoiltemperature

0–6.13 0.25 0.57 0.53 0.52

Nitrogenuptake MAXSTEMDE-MAND

Maximumdailystemnitrogenuptake, calculatedfrommaximumstemN

concentration

0–88.8 5.44 0.48 0.47 0.47

LEAFDEMAND Dailyleafnitrogendemandcalculated fromleafexpansionandleafnitrogen requirements.

−4.28–5.73 5.32 0.18 0.29 0.36

MINSTEMDEMAND Differencebetweenstemnitrogen concentrationandtheminimumstem nitrogen(i.e.thestemnitrogendeficit) onwholecropbasis.Settingthis variabletoremovesplantcontrolon nitrogenuptakesothatuptakeis limitedonlybysoilsupply.

0–58.5 0 0.41 0.43 0.44

Grainfilling

BIOANTH Biomassatanthesis;usedtodetermine themaximumbiomassavailablefor translocationduringgrainfilling

0–12602 9259 0.61 0.57 0.54

Nitrogen mineralisation

FQQ Factorrepresentingtheinfluenceof soilmoistureonnitrogen mineralisation

0–1 0.39 0.55 0.54 0.53

TA 7-daymovingaverageairtemperature; usedtoestimatetheinfluenceof temperatureonnitrogen mineralisation

−2–19.8 5.58 0.49 0.48 0.48

Leafexpansion

GAKILR Factorusedtorepresenttheeffectof droughtonthecanopysenescence

0–23.4 5.25 0.23 0.27 0.29

DRFACLAI Factorusedtorepresenttheeffectof droughtoncanopyexpansion

−0.438–1 1.0 0.15 0.20 0.26

Vernalisation

POTLFNO Potentialleafnumber,usedinthe calculationofvernalisationeffecton cropdevelopment

0–23.94 9.77 0.44 0.46 0.47

PRIMORDNO Primordianumber,usedinthe calculationofvernalisationeffecton cropdevelopment

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Table3(Continued)

Modelvariable Function Fullmodel

range

Replacement constant

Replacementprobability

Temperatureadjustments ˛=2.50% ˛=5% ˛=10%

SVERNALISATION Switchtoremovetheinfluenceof vernalisationoncropdevelopment

n/a 0 0.76 0.71 0.68

Soilsurfaceevaporation

ALPHA Factorrepresentingtheeffectof canopyshadingonsoilsurface evaporation

1–1.35 1.34 0.54 0.52 0.51

PTSOIL Intermediatevariableusedinthe calculationofsoilsurfaceevaporation.

0.014–7.68 0.33 0.58 0.57 0.56

SLOSL Intermediatevariableusedinthe calculationofsoilsurfaceevaporation.

0–409.7 8.36 0.43 0.43 0.43

Penman

EW Intermediatevariableusedinthe calculationofvapourpressuredeficit, inturnusedforthecalculationof evaporation

4.46–28.8 14.879 0.39 0.40 0.42

HSLOPtmean Intermediatevariableusedinthe calculationofPriestly–Taylor evaporation

0.34–1.69 0.66942 0.45 0.45 0.44

WND Windspeed,usedinthecalculationof Penmanevaporation(from

Priestly–Taylorevaporation)

0–9.3 6.8452 0.21 0.26 0.31

minimumform ofthe Siriusmodel whose overall performance couldbecomparedtothefullmodel.Drymatterforgrainfilling was derived from a combination of photosynthesis during the grainfillingperiodandtranslocationofstemandleafbiomass.The modelrecordedbiomassatanthesis(BIOANTH)andthiswasused todefinetherateatwhichstemandleafbiomasscouldbe translo-cated to the filling grain. In effect translocation potential was relatedtobiomassatanthesis.Thereduction analysissuggested biomassatanthesis(BIOANTH)isredundantandthattranslocation potentialcouldbeaconstantacrosssitesandtreatments.Inthe potentialand droughttreatments(wherethedatashowedlittle differenceinbiomass atthetime ofanthesis) theeffectof this replacementwastoreduce thecontributionof translocationto grainyield. Inthecase ofNlimitedtreatments,where anthesis biomasswasrelativelylow,theeffectwastoincreasetherelative contributionoftranslocationtograinyield.

Themodelallowedfortheexpansionofthecanopytobereduced underwaterstressthroughthevariableDrFACLAIand similarly therateofcanopysenescenceincreasedthroughthevariable GAK-ILR.Thesevariablesgenerallyhadlowreplacementprobabilities implyingthattheycontributedtothemodel’spredictiveskill.

Themodelusedseveralinterestingtemperatureadjustments toaccountfor thedifferencesbetweenairtemperatureandsoil

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

0 2000 4000 6000 8000 10000

Re

p

la

ce

m

e

n

t P

ro

b

ab

ilit

y

Iter

aon

Root Length S-SoilMin S-CTemp S-Vernalisaon

Fig.4.Evolutionofthereplacementprobabilityforaselectionofthecandidate variablesoverthecourseoftheanalysis(variablesymbolsaredefinedinTable3).

minimumandmaximumandcanopytemperatures.Threemodel variables(ENAV,HCROP,TADJ)relatedtotheseadjustmentswere identifiedasredundantandasoutlinedearliertheiroverall impor-tancewasassessedthroughtheinclusionofthreeswitchvariables (SwSOILMAX,SwSOILMIN,andSwCMAX)whichhadtheeffectof replacingeachofthesetemperatureswiththeappropriateair tem-perature.Allthreewerefoundtoberedundant.Anotherinteresting featureofSiriusisthatthediurnalvariationintemperatureisused toestimatetheratesof progressofavarietyofplantprocesses ratherthansimplyusingthemeantemperature.Thisfeaturewas foundtoberedundantwithreplacementprobabilitiesof approxi-mately0.5.

Siriususedplantnitrogenstatustoinfluencenitrogenuptake and to drivenitrogentranslocation betweenthestem and leaf (JamiesonandSemenov, 2000).ThevariableMINSTEMDEMAND wascalculatedforeachdayandrepresentedtheminimumnitrogen demandwhichmustbesupportedifgrowthwastooccur.Ifthis nitrogenwasnotavailablefromuptakeitwasobtainedthrough translocationofnitrogenfromtheleaftothestem. MAXSTEMDE-MANDprovidedanupperlimitoncropnitrogenuptakeincases wherestemnitrogenwashigh,causingnitrogenuptaketocease.

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218 N.M.J.Croutetal./AgriculturalandForestMeteorology189–190(2014)211–219

RelatedtothesevariablesLEAFDEMANDcalculatesthenitrogen requiredfortheexpectedleafexpansionandusedthistocalculate appropriatetransportof nitrogenbetweenleafand stemifthat wasrequiredtosustainleafexpansion.MAXSTEMDEMANDwas redundantintheanalysisandMINSTEMDEMANDwasborderline redundant. Given the values of the replacement constants the effectofthesewastoremovetheinfluenceofplantnitrogenstatus onnitrogenuptake,thecropsimplyremovedwhatevernitrogen was available to it. The replacement probabilities for LEAFDE-MANDvariedbetweenthelikelihoodmethodsbutoverallwereall <0.4.Thereforetheminimummodel simplifiednitrogenuptake, ignoringtheeffectofplantnitrogenstatusonuptake,butretaining theuseofleafdemandtodriveinternalnitrogenallocation.These variablesdonotrelatetothelinkbetweencropnitrogenstatus andgrowthwhichremainedunchangedintheminimummodel.

Twovariablesassociatedwiththepredictionofnitrogen min-eralisation were identified as redundant. These related to the influenceofsoilmoisture(FQQ)andtemperature(TA)ontherate ofmineralisation.Bothwerereplacedatthelowendoftheirrange withtheeffectofreducingnitrogenmineralisationtoalow con-stantvalue.

TherepresentationofcropdevelopmentinSiriuscombinedthe effectof temperature,including theeffect oflow temperatures (vernalisation),and daylength throughsimulation ofthe crop’s leafnumber.The approachis fullydescribed byJamiesonet al. (1998a)andisonlybrieflysummarisedhere.Leavesareproduced ataconstantthermaltimeinterval(phyllochron)whichisa cul-tivarspecificparameter.Duringthecourseofthegrowingseason themodelsetsafinalleafnumberdependingonthevernalisation anddaylengthexperiencedbythegrowingcropaccordingtothe parametersdefinedforthecultivar.Anthesisoccurredthree phyl-lochronsafterthepointwhenthecropsimulatedleafnumberis equaltothefinalleafnumber.Forcultivarswithavernalisation requirementapotentialfinalleafnumberwascalculatedinthe ver-nalisationprocedure.Ifthecultivarwasdaylengthsensitivethis potentialfinalleafnumberwasfurthermodifiedbyadaylength functiontosetthefinalleafnumber.

Twovariablesrelatedtothevernalisationsubmodel(POTLFNO and PRIMORDNO) were found to be redundant, moreover the switchvariablethatturnsoffvernalisationentirelyhada replace-ment values of c. 0.7 indicating that model predictions were improvedwhenthisvariableisreplaced.

Severalvariables related tosoil surface evaporation(EVsoil) wereredundant(ALPHA,CONDUC,PTSOIL,SLOSL)suchthatEVsoil iseffectivelyreplacedbyaconstantlowvalueof0.32mmday−1.

However ignoring soil surface evaporation completely (i.e. EVsoil=0)hadadetrimentaleffectonmodelperformance,withthe implicationthatalthoughthemodelmaybeover-estimating evap-oration,itdidneedtobeconsidered.Inthemodelsoilevaporation influencesboththecalculationofsoilmaximumtemperatureand thesoilwaterbudget.Replacingsoilevaporationwithaconstant continuedtohaveanadvantageformodelperformanceevenwhen soilmaximumtemperaturewassetequaltothemaximumair tem-peratureimplyingthatthechangestowaterbudgetarebeneficial tomodelperformance.

Inadditiontothereplacementprobabilitiesforindividual vari-ables shown in Table 3 joint probabilities were calculated to indicatewhethertherewerecaseswherethereplacementofone variablewasdependentonwhetheranothervariablewas,orwas not replaced.These results (notpresented) showedno notable interactionsfortheredundantvariables.

Theanalysisdescribedispartialastheobservationaldataused do notprovide a testfor allaspects of themodel,nor dothey represent a fully comprehensive range of site conditions. The interpretationoftheresultsoftheanalysisneedstoreflectthese limitationsifusefulinsightsintothemodeldesignaretobegained.

For example, although setting translocation potentialtoa con-stantimprovedmodelpredictionsinouranalysisthereplacement wouldbeproblematicifmodelledanthesisbiomasswaslowerthan theproposedconstantforsettingthepotentialfortranslocation (9258gm−2),asmightbethecaseunderextremestress.This

find-ingmayimplythattranslocationpotentialisnotlinearlyrelatedto biomassandratherthansimplysetthevariabletoaconstantitmay bemoreproductivetoconsiderthisfeatureofthecropsbehaviour morecarefullyinfuturemodeldevelopment.

Similarargumentsapplytotheredundancyofvariablesrelated tovernalisation.Wearenotsuggestingthatthereisnosuch pro-cessasvernalisation,ratherthatthemodelledmodificationofleaf numbertoaccountforvernalisationgivesaworseresultthanthat obtainedbyignoringtheprocessinthemodel.Thismayprovide anindicationthattherepresentationoftheprocessinthemodel isinappropriate.Howevercautionisrequired,thefindingswere dictatedbytheresponseofthemodeltotherangeofconditions experiencedoverthe3UKsitesasNewZealandtrialsusedaspring wheatcultivar.

Redundancyinthevariablesrelatedtonitrogenmineralisation alsoillustratestheeffectofpartialdataontheanalysis.These vari-ableshadlittleeffectonmodelperformanceasthecropsnitrogen supply washighrelative totherateof nitrogenmineralisation. Thisistrueeveninthetreatmentwithnonitrogenfertiliser addi-tionswherethenitrogensupplyisdominatedbytheresidualsoil inorganicnitrogenatthetimeofplanting.

3.4. Minimummodel

OnthebasisoftheaboveanalysisavariantofSiriuswas devel-opedinwhichalltheidentifiedredundantmodelvariableswere reducedwiththeaimofcomparingtheresultantpredictionswith thoseofthefullmodel.Thedifferenceswerethat(a)canopyandsoil temperaturesweretakenasequaltotheairtemperature;(b)there wasnoallowancefordiurnalvariationintemperatureon develop-mentorotherprocesses;(c)nitrogenuptakeissimplifiedsuchthat theplantsimplyremovesallnitrogenavailabletoitineachtime step;(d)theeffectofvernalisationisignored,withdevelopment beingdrivensolelybytemperatureandphotoperiod;(e)soil nitro-genmineralisationandsoilsurfaceevaporationwereignored;(f) translocationpotentialwasconsideredaconstant.

Theresultingmodelpredictionsarecomparedtothefullmodel inFig.1andthesummaryNash–Sutcliffestatisticsarepresented inTable2.Notwithstandingthesesimplificationsofthemodelthe performancewasalmostidenticaltothefullmodel,withslightly improvedperformanceforleafareaandgrainweights.

3.5. Conclusions

Inpreviousapplicationsofthevariablereplacementapproach tomodelreductionallthemodelsinvestigatedwerefoundtohave redundantvariables(Croutetal.,2009;Gibbonsetal.,2010;Cox etal.,2006;Tarsitanoetal.,2011).SimilarlySiriuswasfoundto con-tainvariableswhoseusewasredundantforpredictingthedatawe haveusedinthisanalysis.However,mostofthemodel’svariables couldnotbereducedtoaconstant;ofthe111variablesconsidered 16wereultimatelyidentifiedaspotentiallyredundant.

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it indicates that the model’s predictive performance was not improvedthroughtheirrepresentationinthemodel.

Theoutcomesoftheworkwehavedescribeddependedonour choiceofcomparisondata.Inourcasethiswaswithinseason mea-surementsofmultiplecomponentsofthecropover arelatively smallnumberof trials.Wefocussedonchallengingthe mecha-nismswithinthemodelatarelativelydetailedlevelinorderto evaluatewhichofthemodelledprocessesarecontributingtothe overallpredictionofgrowthanddevelopmentoverthegrowing season.Thereforetheapproachisanalogoustothetypeofdetailed modelinter-comparisondescribedbyJamiesonetal.(1998b). How-everourworkcouldbedescribedasamodelintra-comparisonasit wasbasedonthecomparisonofmanysimplifiedformsofthesame model.Theapproachprovidesautomationtoincreasetheefficiency oftheevaluationandisasystematicmeansofincreasingtherigour oftheevaluation.Howeverthereis,asyet,nowaytoavoidtheneed formechanisticmodelunderstandingandinterpretationifmodel performanceistobecriticallyevaluated.

Theanalysisisdependentontheobservationaldataused. Sub-jecttothis limitationit providesatest of whethera particular formulationofmodelvariablescontributestothemodels predic-tiveperformance.Theaimshouldnotbetosimplyfindasimpler modelanduseit,buttousetheidentificationofredundant vari-ablesasameanstochallengeandimprovetheformulationusedin themodel.

Acknowledgment

WewouldliketothanktheBiotechnologyandBiological Sci-encesResearchCouncilforfinanciallysupportingthiswork(grant referenceBBS/B/05672).Rothamsted Researchreceivesstrategic fundingfromtheBiotechnologyandBiologicalSciencesResearch CounciloftheUK.

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