Sensitivity, auto-calibration , uncertainty and model evaluation in SWAT2005 Ann van Griensven a.vangriensven@unesco-ihe.org 1 Sensitivity, auto-calibration , uncertainty and model evaluation in SWAT2005 I Theory 1 The LH-OAT sensitivity analysis A LH-OAT combines the OAT design and Latin Hypercube sampling by taking the Latin Hypercube samples as initial points for a OAT design (figure I.1). 1.1 Latin-Hypercube simulations Latin-Hypercube is a sophisticated way to perform random sampling such as Monte-Carlo sampling to allow a robust analysis requiring not too many runs. Monte Carlo samples are in general robust, but may require a high number of simulations and consequently a large amount of computational resources (time and disk memory). The concept of the Latin-Hypercube Simulation (McKay et al., 1979; McKay, 1988) is based on the Monte Carlo Simulation but uses a stratified sampling approach that allows efficient estimation of the output statistics. It subdivides the distribution of each parameter into N ranges, each with a probability of occurrence equal to 1/N. Random values of the parameters are generated such that each range is sampled only once. The model is then run N times with the random combinations of the parameters. The model results are typically analysed with multi-variate linear regression or correlation statistics methods. The Latin-Hypercube sampling is commonly applied in water quality modelling due to its efficiency and robustness (Weijers and Vanrolleghem, 1997; Vandenberghe et al., 2001). The main drawback is the assumptions on linearity. If these are not fulfilled, the biased results can be obtained. 1.2 One-factor-At-a-Time sampling OAT (One-factor-At-a-Time) design as proposed by Morris (1991) is an example of an integration of a local to a global sensitivity method. As in local methods, each run has only one parameter changed, so the changes in the output in each model run can be unambiguously attributed to the input parameter changed. This approach has the advantage of a lack of reliance on predefined (tacit or explicit) assumptions of relatively few inputs having important effects, monotonicity of outputs with respect to inputs, or adequacy of low-order polynomial models as an approximation to the computational model (Morris, 1991).The output analysis is based on the study of the random sample of observed elementary effects, which are generated from each considered input. The change in model outcome M ( x1 ,..., xi xi ,..., xn ) can then be unambiguously attributed to such a modification by means of 2 an elementary effect Si defined by equation 1. M ( x1 ,..., xi xi ,..., xn ) is usually some lumped measure like total mass, SSQ or SAE. Considering n parameters (i.e. i=1,…,n), this means that this experiment involves performing n+1 model runs to obtain one partial effect for each parameter according to equation 1. Ideally, the computational experiment should account for the whole set of input parameters {xi}. In this work a simple design was used where the computational experiment varies each input parameter one by one starting from an initial vector ( x1,..., xi i ,..., xn ) . The result is quantitative, elementary and exclusive for the parameter. However, the quantitativeness of this measure of sensitivity is only relative: as the influence of xi may depend on the values chosen for the remaining parameters, this result is only a sample of its sensitivity (i.e. a partial effect). Therefore, this experiment is repeated for several sets of input parameters. The final effect will then be calculated as the average of a set of partial effects, and the variance of such a set will provide a measure of how uniform the effects are (i.e. the presence or absence of nonlinearities or crossed effects with other parameters). The elementary effects obtained using this procedure allows the user to screen the entire set of input parameters with a low computational requirement. In this way, local sensitivities get integrated to a global sensitivity measure. The OAT design appeared to be a very usefull method for SWAT modelling (Francos et al., 2002; van Griensven et al., 2001) as it is able to analyse sensitivity on high number of parameters. 1.3 The LH-OAT sensitivity analysis The LH-OAT sensitivity analysis method combines thus the robustness of the Latin Hypercube sampling that ensures that the full range of all parameters has been sampled with the precision of an OAT designs assuring that the changes in the output in each model run can be unambiguously attributed to the input changed in such a simulation leading to a robust and efficient sensitivity analysis method. The method is also efficient, as for m intervals in the LH method, a total of m*(p+1) runs is required. 3 x x x p1 x x p2 Figure I.1: Illustration of MC-OAT sampling of values for a two parameters model where X respresent the Monte-Carlo points and the OAT points. 4 2 Parasol (Parameter Solutions method): optimization and uncertainty analysis in a single run 2.1 Optimization method 2.1.1 The Shuffled complex evolution algorithm This is a global search algorithm for the minimization of a single function for up to 16 parameters [Duan et al., 1992]. It combines the direct search method of the simplex procedure with the concept of a controlled random search of Nelder and Mead [1965], a systematic evolution of points in the direction of global improvement, competitive evolution [Holland, 1995] and the concept of complex shuffling. In a first step (zero-loop), SCE-UA selects an initial ‘population’ by random sampling throughout the feasible parameters space for p parameters to be optimized (delineated by given parameter ranges). The population is portioned in to several “complexes” that consist of 2p+1 points. Each complex evolve independently using the simplex algorithm. The complexes are periodically shuffled to form new complexes in order to share the gained information. It searches over the whole parameter space and finds the global optimum with a success rate of 100% [Sorooshian et al. 1993]. SCE-UA has been widely used in watershed model calibration and other areas of hydrology such as soil erosion, subsurface hydrology, remote sensing and land surface modeling [Duan, 2003]. It was generally found to be robust, effective and efficient [Duan, 2003]. The SCE-UA has also been applied with success on SWAT for the hydrologic parameters [Eckardt and Arnold, 2001] and hydrologic and water quality parameters [van Griensven et al., 2002]. 2.1.2 Objective functions Sum of the squares of the residuals (SSQ): similar to the Mean Square Error method (MSE) it aims at matching a simulated series to a measured time series. SSQ xi ,measured xi , simulated 2 i 1, n (1) with n the number of pairs of measured (x measured) and simulated (xsimulated) variables The sum of the squares of the difference of the measured and simulated values after ranking (SSQR): The SSQR method aims at the fitting of the frequency distributions of the observed and the simulated series. As opposed to the SSQ method, the time of occurrence of a given value of the variable is not accounted for in the SSQR method [van Griensven and Bauwens, 2001]. 5 After independent ranking of the measured and the simulated values, new pairs are formed and the SSQR is calculated as SSQR x j 1, n j , measured x j , simulated (2) 2 where j represents the rank. 2.1.3 Multi-objective optimization This following is based on the Bayesian theory (1763), assuming normal distribution of the residuals [Box and Tiao, 1973]. Residual can be assumed to have a normal distribution N(0, σ2), whereby the variance is estimated by the residuals correspond to random errors: 2 SSQMIN nobs (3) with SSQMIN the sum of the squares at the optimum and nobs the number of observations. The probability of a residual can then be calculated as: p ( | y t ,obs ) y t , sim y t ,obs 2 exp 2 2 2 2 1 (4) or y t , sim y t ,obs 2 p ( | y t ,obs ) exp 2 2 for a time series (1..T) this gives p( | Yobs ) (5) y t , sim y t ,obs 2 exp 2 2 t 1 T 1 2 2 T (6) or T y yt ,obs 2 t 1 t , sim p ( | Yobs ) exp 2 2 (7) For a certain time series Yobs the probability of the parameter set θ p(θ|Yobs) is thus proportional to 6 SSQ1 p( | Yobs ) exp 2 2 *1 (8) where SSQ1 are the sum of the squares of the residuals with corresponding variance σ 1 for a certain time series. For 2 objectives, a Bayesian multiplication gives: SSQ1 SSQ2 p( | Yobs ) C1 * exp * exp 2 2 2 * 1 2 * 2 (9) Applying equation (3), (9) can be written as: SSQ1 * nobs1 SSQ2 * nobs2 p ( | Yobs ) C 2 * exp * exp SSQ SSQ2, min 1, min (10) In accordance to (10), it is true that: ln p( | Yobs ) C 3 SSQ2 * nobs 2 SSQ2 * nobs 2 SSQ2 min SSQ2, min (11) We can thus optimize or maximize the probability of (11) by minimizing a Global Optimization Criterion (GOC) that is set to the equation: GOC SSQ1 * nobs1 SSQ2 * nobs 2 SSQ1, min SSQ2, min (12) while according to equation (11) the probability can is related to the GOC according to: p( | Yobs ) exp GOC (13) The sum of the squares of the residuals get thus weights that are equal to the number of observations divided by the minimum. This equation allows also for the uncertainty analysis as described below. 2.1.4 Parameter change options Parameters affecting hydrology or pollution can be changed either in a lumped waye (over the entire catchment), or in a distributed way (for selected subbasins or HRU’s). They can be modified by replacement, by addition of an absolute change or by a multiplication of a relative change. It is never allowed to go beyond the predefined parameter ranges. A relative change allows for a lumped calibration of distributed parameters while they keep there relative physical meaning (soil conductivity of sand will be higher than soil conductivity of clay). 7 2.2 Parameter change options for SWAT In the ParaSol algorithm as implemented with SWAT2005 parameters affecting hydrology or pollution can be changed either in a lumped way (over the entire catchment), or in a distributed way (for selected subbasins or HRU’s). They can be modified by replacement, by addition of an absolute change or by a multiplication of a relative change. A relative change means that the parameters, or several distributed parameters simultaneously, are changed by a certain percentage. However, a parameter is never allowed to go beyond the predefined parameter ranges. For instance, all soil conductivities for all HRU’s can be changed simultaneously over a range of -50 to +50 % of their initial values which are different for the HRU’s according to their soil type. This mechanism allows for a lumped calibration of distributed parameters while they keep their relative physical meaning (soil conductivity of sand will be higher than soil conductivity of clay). 2.3 Uncertainty analysis method The uncertainty analysis divides the simulations that have been performed by the SCE-UA optimization into ‘good’ simulations and ‘not good’ simulations. The simulations gathered by SCE-UA are very valuable as the algorithm samples over the entire parameter space with a focus of solutions near the optimum/optima. There are two separation techniques, both are based on a threshold value for the objective function (or global optimization criterion) to select the ‘good’ simulations by considering all the simulations that give an objective function below this threshold. The threshold value can be defined by 2-statistics where the selected simulations correspond to the confidence region (CR) or Bayesian statistics that are able point out the high probability density region (HPD) for the parameters or the model outputs (figure 2). 8 2.3.1 2-method For a single objective calibration for the SSQ, the SCE-UA will find a parameter set Ө* consisting of the p free parameters (ө*1, ө*2,… ө*p), that corresponds to the minimum of the sum the square SSQ. According to 2 statistics, we can define a threshold “c” for “good’ parameter set using equation c OF ( *) * (1 2 p ,0.95 n p (14) ) whereby the χ2p,0.95 gets a higher value for more free parameters p. For multi-objective calibration, the selections are made using the GOC of equation (11) that normalizes the sum of the squares for n, equal to the sum of nobs1 and nobs2, observation. A threshold for the GOC is the calculated by: c GOC ( *) * (1 2 p ,0.95 nobs1 nobs 2 p ) (15) 2.3.2 Bayesian method According to the Bayesian theorem, the probability p(θ|Yobs) of a parameter set θ is proportional to equation (11). After normalizing the probabilies (to ensure that the integral over the entire parameter space is equal to 1) a cumulative distributions can be made and hence a 95% confidence regions can be defined. As the parameters sets were not sampled randomly but were more densely sampled near the optimum during SCE-UA optimisation, it is necessary to avoid having the densely sampled regions dominate the results. This problem is prevented by determine a weight for each parameter set θi by the following calculations: 1. Dividing the p parameter range in m intervals 2. For each interval k of the parameter j, the sampling density nsamp(k,j) is calculated by summing the times that the interval was sampled for a parameter j. A weight for a parameter set θi is than estimated by Determine the interval k of the parameter өj,i Consider the number of samples within that interval = nsamp(k,j) The weight is than calculated as W (i ) (16) 1 1/ P p nsamp(k , j ) j 1i The “c” threshold is determined by the following process: 9 a. Sort parameter sets and GOC values according to decreasing probabilities b. Multiply probabilities by weights c. Normalize the weighted probabilities by division by PT with T PT W ( i ) *p( I | Yobs ) (17) i 1 d. Sum normalized weighted probabilities starting from rank 1 till the sum gets higher than the cumulative probability limit (95% or 97.5%). The GOC corresponding to the latest probability defines then the “c” threshold. sce sampling Xi-squared CR Bayesian HPD 200 Smax 150 100 50 0 0.0 0.2 0.4 0.6 0.8 1.0 k Figure I.2. Confidence region CR for the χ2-statistics and high probability density (HPD) region for the Bayesian statistics for a 2parameter test model. 10 3 SUNGLASSES (Sources of UNcertainty GLobal Assessment using SplitSamlpES): Model evaluation 3.1 Introduction Model uncertainty analysis aims to quantitatively assess the reliability of model outputs. Many water quality modeling applications used to support policy and land management decisions lack this information and thereby lose credibility [Beck, 1987]. Several sources of modeling unknowns and uncertainties result in the fact that model predictions are not a certain value, but should be represented with a confidence range of values [Gupta et al., 1998; Vrugt et al. 2003; Kuczera, 1983a; Kuczera 1983b; Beven, 1993]. These sources of uncertainty are often categorized as input uncertainties (such as errors in rainfall or pollutant sources inputs), model structure/model hypothesis uncertainties (uncertainties caused by inappropriateness of the model to reflect reality or the inability to identify the model parameters) and uncertainties in the observations used to calibrate/validate the model outputs (Figure 3). Over the last decade model uncertainty analysis has been investigated by several research groups from a variety of perspectives. These methods have typically focused on methodologies that focus on model parametric uncertainty but investigators have had a more difficult time assessing model structural and data errors and properly accounting for these sources of model prediction error (e.g. see commentaries [Beven and Young, 2003; Gupta et al., 2003]). The focus on parametric uncertainty in model calibration and uncertainty methodologies does not address overall model predictive uncertainty which encompasses uncertainty introduced by data errors (in input and output observations), model structural errors and uncertainties introduced by the likelihood measure or objective function used to develop a model and its particular application to a single location [Gupta et al., 2003; Thiemann et al., 2001; Kuczera and Mroczkowski, 1998]. It is important to note that proper assessment of model prediction uncertainty is somewhat of an unattainable goal and that questions about the informativeness of data and model structural error are typically best assessed in a comparison mode such as one model structure is superior in a specific situation as opposed a wholesale accounting of the size of model structural error (e.g. [Gupta et al., 1998]). This problem of not being able to quantitatively account for model structural error and errors introduced during the model calibration process has been a continuing source of problems and has generally prohibited the use of robust statistical methods for assessing uncertainty since these methods typically assume that the structural form of the model is correct and that only model parameters need to be adjusted to properly match a computational model to the observations [Beven and Young, 2003; Gupta et al., 2003]. It is well known that hydrologic models, particularly those of the rainfall-runoff process and even more so for models of water quality, are not perfect models and 11 thus the assumption that the model being used in the calibration process is correct does not hold for the application of hydrologic models (for examples see - [Mroczkowski et al., 1997; Boyle et al., 2001; Meixner et al., 2002; Beven, 1993]). The traditional way in which hydrologists assess how good their model is and whether the calibration process they went through was valuable and meaningful, is to conduct an evaluation of the model via some methodology. Model calibration and evaluation in hydrology has a long history. A fundamental necessity noted by many is that the model must be evaluated using data not used for model calibration [Klemes, 1986]. This concept typically goes under the name split sample methodology. Typically this split sample approach is conducted using one half of a data set to calibrate the model and the second half of the time series to evaluate the calibration data set. This approach represents the minimum bar over which a model must pass to be considered suitable for further application [Mroczkowski et al., 1997]. More robust methodologies exist for assessing the suitability of a calibrated model including calibration before a change in land use and evaluation of the model after that change [Mroczkowski et al., 1997], the use of so-called “soft” data that represent the in-depth knowledge of field hydrologists [Seibert and McDonnell, 2003], or the use of observations at the same time or different times that were not used during the model calibration process [Mroczkowski et al., 1997; Meixner et al., 2003]. Still the split sample in time methodology remains the dominant form of assessing model and model calibration performance due to its simplicity and the general lack of robust multi-flux data sets of a long duration. The split sample methodology is not without its flaws. It is well-known that a model typically performs worse during an evaluation time period than during the calibration period and if a model performs almost as well during the evaluation period it is generally accepted that this means the model is at least an acceptable representation of the natural system it represents (e.g. [Meixner et al., 2000]). Singh [1988] discusses the problem of model calibration at length and particularly notes that the model calibration problem has several fundamental attributes. First, model calibration starts with the problem that the data the model is being calibrated to has some error associated with it . Next, Singh [1988] notes that model calibration typically over-compensates for the data error and that the standard error of the estimate ends up being smaller than it should be. When the calibrated model is then taken to another time period for evaluation the standard error of prediction is generally larger than the original standard error of the data since the model was overly tuned to the observations for the calibration period. Singh notes that, while the standard error of the data and of the estimate can be quantified using standard methods, the standard error of the prediction, which we are most interested in, has no formalized methodology for estimation. This problem remains to this day. These properties of standard error 12 of the data, estimate and prediction extend to most of the uncertainty methods used in hydrology since they share many similarities to the model calibration problem. The framework established by Singh [1988] proves useful as we think about the problem of estimating model predictive uncertainty. Since most methods estimate the standard error of the estimate they are stuck at the reduced uncertainty level indicated by Singh [1988]. Given the fundamental interest in knowing the uncertainty of model predictions as opposed to estimates during the calibration period it should prove useful to investigate methods that can assess the uncertainty of predictions. The discussion above would indicate that using the split sample approach and an assessment of model performance during the evaluation period would be useful for estimating overall model predictive uncertainty. Many researchers noted the problem that parameter uncertainty was much smaller than expected for the level of trust we should have in model predictions [Thiemann et al., 2001; Beven and Freer, 2001; Freer et al., 2003]. Here we develop a methodology that utilizes a split sample approach to estimate overall model predictive uncertainty and we compare these results to those garnered using our previously developed parametric uncertainty method based on statistical approaches ParaSol (Parameter Solutions). SUNGLASSES and ParaSol are then compared using the commonly used river basin water quality model, the Soil Water Assessment Tool (SWAT). 13 Real world values On a spatial / temporal continuum Forcing Inputs Topography Sources of Error Mode l Recording errors of forcing inputs Spatial/temporal discretization Observed spatial resolution Observed temporal resolution Observed forcing data Spatial discretization of landuse, Landuse Map Soil Map Topographic map soil, and topography Errors on parameters for landuse, Landuse soil, and topography Soil Spatial Inputs SOM Model Structure NO3 NH4 + Model scale discretization Model hypothesis Model spatial structure Simplified processes Uncertain parameters NO2Pollution Point Sources Environmental Observations Diffuse Sources Model diffuse pollution sources Model point pollution sources Observation and temporal errors for point-source pollution Errors on land use practices Temporal discretization for diffuse pollution Uncertain model output Errors on observed values Environmental Observations Observations – Model output RESIDUAL S Figure I.3: Scheme of sources of errors in distributed water quality modeling. 3.2 Description of the method ParaSol is an optimization and statistical uncertainty method that assesses model parameter uncertainty. On top of ParaSol, SUNGLASSES uses all parameter sets and simulations. Additional sources of uncertainty are detected using an evaluation period, in addition to the calibration period. In order to get a stronger evaluation of model prediction power, the Sources of Uncertainty Global Assessment using Split SamplES (SUNGLASSES) is designed to assess predictive uncertainty that is not captured by parameter uncertainty. The method accounts for strong increases in model prediction errors when simulations are done outside the calibration period by using a split sample strategy whereby the evaluation period is used to define the model output uncertainties. The assessment during the evaluation period should depend on a criterion related to the sort of decision the model is being used for. These uncertainty ranges depend on the GOC, representing the objective functions, at one side to calibrate the model and develop an initial estimate of model parameter sets, and an evaluation criterion (to be used in decision making) at the other that is 14 used to estimate uncertainty bounds. The GOC is used to assess the degree of error on the process dynamics, while the evaluation criteria define a threshold on the GOC. This threshold should be as small as possible, but the uncertainty ranges on the criterion should include the “true” value for both the calibration and the validation period. For example when model bias is used as the criterion, these “true” values are then a model bias equal to zero. Thus, the threshold for the GOC would be increased until the uncertainty ranges on the total mass flux include zero bias. SUNGLASSES operates by ranking the GOCs (Figure I.4). Statistical methods can be used to define a threshold considering parameter uncertainty. In this case, ParaSol was used to define such a threshold. However, when we look at the predictions, it is possible that unbiased simulations are not within the ParaSol uncertainty range other than parameter uncertainty. This result means that there are additional uncertainties acting on the model outputs (Figure I.5). Thus, a new, higher threshold is needed in order to have unbiased simulations included within the uncertainty bounds (Figures I.4 and I.5). This methodology is flexible in the sense that different combinations of objective functions can be used within the GOC. Also alternatives for the bias as the criterion for the model evaluation period are possible depending on the model outputs to be used for decision making. Examples of alternative criteria are the percentage of time a certain output variable is higher or lower than a certain threshold (being common for water quality policy) or the maximum value or the value of a certain model prediction percentile (often important for flood control). GOC (log-scale) Ranked GOCs for all SCE-UA simulations ParaSol threshold SUNGLASSES threshold 1.E+06 1.E+05 1.E+04 1.E+03 1.E+02 1 5001 10001 15001 20001 25001 30001 Rank Figure I.4: Selection of good parameter sets using a threshold imposed by ParaSol or by SUNGLASSES 15 Model bias for the sediment loads (% ) ParaSol 1998-1999 SUNGLASSES 2000-2001 1998-1999 2000-2001 200.00 160.00 120.00 80.00 40.00 0.00 -40.00 -80.00 Figure I.5: Confidence regions for the sediment loads calculations according to ParaSol and SUNGLASSES 16 PART II: Step-by-step tutorial 1. Open the Yellow River project. 2. To use the sensitivity analysis, you have to activate an AVSWAT extension in the SWAT view. To do this, you have to go to the Tools menu and select AVSWATX extensions. A new dialog box will open (Figure II.1). Figure II.1 AVSWATX extensions dialog box. 3. Double click the extension AVSWATX Sens-Auto-Unc and press OK. In the Tools menu there are two new options: 1) Sensitivity analysis and 2) Auto-calibration and Uncertainty. 17 Figure II.2. Select Sensitivity Analysis Simulation dialog box. Figure II.3 Sensitivity Analysis Manager dialog box. 4. Select Sensitivity analysis. A new dialog box will open (Figure 3.3). This dialog box allows you to select the scenario and the simulation you want to use in the sensitivity analysis. 18 5. Select default for the scenario. Now you are offered the simulations that are available for this particular scenario. Select sim1. If there are more simulations available, you can click on each sim# to see a summary of the main properties of each simulation in the right panel of this dialog box. 6. Press OK. A new dialog box will open (Figure 3.4). You are offered three options for the output variables to be used in the sensitivity analysis: 1) only flow, 2) flow and sediments and 3) flow, sediments, and water quality. You can also select whether you also want to perform the sensitivity analysis on the objective function (e.g. instead of using the mean average flow only). 7. Select Flow and activate the Use Observed Data button. The measured flow data are provided in the file observations9394.txt. You might want to check whether the sim# you selected in step 5 also covers the period 1993-1994. 8. Press the Start button to start the sensitivity analysis. 9. You will be asked to provide the reference outlet that is to be analyzed in the sensitivity analysis. Select 7 by double clicking. Subbasin 7 contains the catchment outlet. 10. The interface now warns you that the sensitivity analysis may take several minutes. Press Yes to continue. A DOS-windows will open and SWAT2003 will start running. Although the interface warned that the analysis might take several minutes, this might easily turn into hours or days in the case of a large SWAT project. Currently it is not possible to control the variables included in the sensitivity analysis through the interface. Instead, the interface will perform the analysis for a predefined set of 27 variables with 10 intervals in the LH sampling. This means that SWAT2003 will make 280 runs to complete the sensitivity analysis. The results of the analysis are provided in the directory …\advanced\sensitivity on the SWAT summer school CD. Therefore, you do not have to wait for SWAT2003 to finish now. You can quit SWAT2003 in the DOS window by pressing CTRL-C. The model parameters included in the sensitivity analysis can be controlled outside of the AVSWATX interface. In the following, the text-based input files required for the sensitivity analysis will be discussed in detail. These input files are located …\AVSWATX\YellowRiver\Scenarios\Default\sim1\txtinout\sensitivity. 19 in the directory Input file 1: Sensin.dat The first three lines of sensin.dat specify three control variables of the LH-OAT sensitivity analysis: 1. Number of intervals m within Latin Hypercube sampling 2. Fraction of parameter range defined by minimum and maximum bounds that is varied in the OAT part of the sensitivity analysis (see figure I.1) 3. Random seed required for random sampling within the m intervals. Figure II.4 Sensin.dat Input file 2: changepar.dat The changepar.dat file specifies the model parameters included in the sensitivity analysis. These lines consist of five columns: 1. Lower bound of parameter value 2. Upper bound of parameter value 3. Number specifying the model parameter (see table II.1) 4. Variation method (imet, see table II.2) 5. Number of HRU If you specify the number of HRU as larger than 2000, the parameter is changed for all HRU. If the number of HRU is lower than 2000, the parameter is changed for a selected number of HRU. In this case, the HRU numbers must be provided in the next line in sets of 50*5i. Please note that the number of HRU is only required for the subbasin type variables (sub) given in table II.1 (see figure II.4). 20 Figure II.5. changepar.dat Table II.1. Parameter codes for sensitivity analysis, automatic model calibration and uncertainty analysis. Par Name Type Description Location 1 ALPHA_BF Sub Baseflow alpha factor [days] *.gw 2 GW_DELAY Sub Groundwater delay [days] *.gw 3 GW_REVAP Sub Groundwater "revap" coefficient *.gw 4 RCHRG_DP Sub Deep aquifer percolation fraction *.gw 5 REVAPMN Sub Threshold water depth in the shallow aquifer for "revap" [mm] *.gw 6 QWQMN Sub Threshold water depth in the shallow aquifer for flow [mm] *.gw 7 CANMX Sub Maximum canopy storage [mm] *.hru 8 GWNO3 Sub Concentration of nitrate in groundwater contribution [mg N/l] *.gw 10 CN2 Sub Initial SCS CN II value *.mgt 15 SOL_K Sub Saturated hydraulic conductivity [mm/hr] *.sol 16 SOL_Z Sub Soil depth [mm] *.sol 17 SOL_AWC Sub Available water capacity [mm H20/mm soil] *.sol 18 SOL_LABP Sub Initial labile P concentration [mg/kg] *.chm 19 SOL_ORGN Sub Initial organic N concentration [mg/kg] *.chm 20 SOL_ORGP Sub Initial organic P concentration [mg/kg] *.chm 21 21 SOL_NO3 Sub Initial N03 concentration [mg/kg] *.chm 22 SOL_ALB Sub Moist soil albedo *.sol 23 SLOPE Sub Average slope steepness [m/m] *.hru 24 SLSUBBSN Sub Average slope length [m] *.hru 25 BIOMIX Sub Biological mixing efficiency *.mgt 26 USLE_P Sub USLE support practice factor *.mgt 27 ESCO Sub Soil evaporation compensation factor *.hru 28 EPCO Sub Plant uptake compensation factor *.hru 30 SPCON Bas Lin. re-entrainment parameter for channel sediment routing *.bsn 31 SPEXP Bas Exp. re-entrainment parameter for channel sediment routing *.bsn 33 SURLAG Bas Surface runoff lag time [days] *.bsn 34 SMFMX Bas Melt factor for snow on June 21 [mm H2O/ºC-day] *.bsn 35 SMFMN Bas Melt factor for snow on December 21 [mm H2O/ºC-day] *.bsn 36 SFTMP Bas Snowfall temperature [ºC] *.bsn 37 SMTMP Bas Snow melt base temperature [ºC] *.bsn 38 TIMP Bas Snow pack temperature lag factor *.bsn 41 NPERCO Bas Nitrogen percolation coefficient *.bsn 42 PPERCO Bas Phosphorus percolation coefficient *.bsn 43 PHOSKD Bas Phosphorus soil partitioning coefficient *.bsn 50 CH_EROD Sub Channel erodibility factor *.rte 51 CH_N Sub Manning's nvalue for main channel *.rte 52 TLAPS Sub Temperature lapse rate [°C/km] *.sub 53 CH_COV Sub Channel cover factor *.rte 54 CH_K2 Sub Channel effective hydraulic conductivity [mm/hr] 60 USLE_C Sub Minimum USLE cover factor crop.dat 61 BLAI Sub Maximum potential leaf area index crop.dat *.rte The sensitivity analysis provides three methods for varying the parameters. The first option allows you to replace the value directly (option 1). For example, the parameter ALPHA_BF is varied between 0 and 1 and the randomly drawn value is substituted directly into all *.gw files. The second method allows you to add values to the initial values. The third method allows you to multiply the initial value with the drawn parameter value. For example, the specified settings for the parameter CN2 in figure II.4 allow this parameter to vary between 0.5 to 1.5 (-50% to +50%) times the value currently specified in each *.mgt files. Table II.2. Variation methods (imet) available in sensing.dat imet 1 2 3 Description Replacement of initial parameter by value Adding value to initial parameter Multiplying initial parameter by value (in percentage) 22 Input file 3: responsmet.dat Figure II.6. Responsmet.dat. This file contains the output variables and methods that will be used for the sensitivity analysis (figure II.6). Each line represents an output variable (with a maximum of 100) and has five columns that indicate: 1. Output variable number (see table II.3) 2. Parameter that allows you to either use the average of the output variable specified in column 1 (setting 1) or the percentage of time that the output variable is below the threshold defined in column 5 (setting 2) 3. When the output variable is a solute, you can either perform the sensitivity analysis on the concentrations (setting 0) or the loads (setting 1) 4. Code number for the autocal file in fig.fig. This is required when the sensitivity analysis is performed for more than one subbasin. 5. Threshold value corresponding to column 2, setting 2. 23 In the case of the example file shown in figure 3.6, the sensitivity analysis is performed on the average flow, average sediment load, average organic N load, average organic P load and the average nitrate load. Table II.3. Output variable number Nr. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 20 21 22 Variable Flow [m3/s] Sediment concentration [g/l] Organic N concentration [mg N/l] Organic P concentration [mg P/l] Nitrate concentration [mg N/l] Ammonia concentration [mg N/l] Nitrite concentration [mg N/l] CBOD concentration [mg/l] Dissolved oxygen concentration [mg/l] Mineral P concentration [mg P/l] Chlorophyll-a concentration [g/l] Soluble pesticide concentration [mg/l] Sorbed pesticide concentration [mg/l] Temperature [°C] Kjeldahl nitrogen concentration [mg N/l] Total nitrogen concentration [mg N/l] Total phosporus concentration [mg P/l] 24 Input file 4: objmet.dat This file contains the output variables and methods that will be used when the sensitivity analysis is applied to an error measure instead of an output variable (figure II.7). Each line stands for an output variable (with a maximum of 100) and has five columns that indicate: 1. Output variable number (see table II.3) 2. Parameter that allows you to use different error measures (1=SSQ, 5=SSQR). The error measures are discussed in more detail in the automatic calibration sections. 3. When the output variable is a solute, you can either perform the sensitivity analysis on the concentrations (setting 0) or the loads (setting 1) 4. Code number for the autocal file in fig.fig. This is required when the sensitivity analysis is performed for more than one subbasin. 5. Weight for the objective function in the case of a multi-objective calibration. Figure II.7. Objmet.dat These three files allow you to customize the sensitivity analysis to your needs. If you make changes to one of these three input files, you cannot run the sensitivity analysis from the SWAT interface anymore. Instead, you have to copy swat2003.exe from the …\avswatpr directory into the directory of the sensitivity analysis and run this executable from a DOS interface. 25 Table II.4. Output files of the sensitivity analysis. File name sensresult.out sensout.out senspar.out sensobjf.out sensrespons.out lathyppar.out oatpar.out Description List of parameter ranks Detailed output with mean, variance and partial sensitivities Parameter values of each run Value of objective function for each run Model output values for each run Normalized Latin-Hypercube sampling points Normalized OAT sampling points After completing the sensitivity analysis, SWAT2003 will produce a set of output files. A short description of these input files is provided in table II.4. The files that you will mostly use are sensresult.out and sensout.out. Since the file sensresult.out only contains the final ranking of each parameter in the analysis, we will only discuss the file sensout.out here (see figure II.8). In the first lines of sensout.out, the settings of the sensitivity analysis are summarized (not shown here). Then, the results of the sensitivity analysis are shown for each objective function and for each model output variable selected in either responsmet.dat or objmet.dat. Figure II.9 shows part of the results for one model output variable. In the first lines shown, each column represents a model parameter. Each of the 10 lines represents the results of the AOT sensitivity analysis for each LH sampling point. In the following lines, the maximum, variance, mean and ranking for each model parameter (column) are provided. Finally, a summary with mean and ranking for each model parameter is given. EXERCISE 3.1 The results of the standard sensitivity analysis are provided in the directory …\advanced\sensitivity of the summer school CD. We have performed a sensitivity analysis for 1993 and for the period 1993-1994. Study the sensitivity ranking of each model parameters for both time periods. Is the ranking stable or does it depend on the time period used in the analysis? 26 Figure II.9. Detail of sensout.out. EXERCISE 3.2 You can also compare the ranking of the model parameters between the sensitivity analysis performed on the mean daily flow and the sensitivity analysis performed on the sum of squared residuals between measured and modeled flow. There is a large difference in ranking for the surface runoff lag time (SURLAG). Do you have an explanation for this large difference? 27 EXERCISE 3.3 To practice setting up your own sensitivity analysis, create the appropriate input files to perform a sensitivity analysis on the average flow for the model parameters: CN2, SOL_K, SOL_AWC and CANMX. The base simulation for the sensitivity analysis should run from 1.1.1993 to 31.12.1993. Make relative changes from –10 to 10% for CN2, relative changes from –25 to 25% for SOL_AWC, relative changes from –50 to 50% for SOL_K and use actual values between 0 and 5 for CANMX. Which of these four parameters is the most sensitive? How do you rate the variances of the mean partial sensitivities in sensout.out? 3.4 The results of the sensitivity analysis also depend on the bounds selected for each parameter. To test this, increase the bounds from CN2 to –25% to 25%. Did the ranking of the model parameters change? 28 PART III: Formats of the statistical methods in SWAT 1 General input file formats (valid for all methods) 1.1 File.cio ICLB The flag for autocalibration in the *.COD file has to be activated 0 !ICLB: auto-calibration option: 0=normal run , >1 statistical runs ICLB VALUES AND MEANING: 0 1 2 3 4 5 no autocalibration Sensitivity analysis Opimization using PARASOL Opimization and uncertainty using PARASOL Rerun model with best parameter set Rerun the model with good parameter sets (to obtain uncertainty bounds on output time series) 6 (re)calculate uncertainty results (e.g. when optimization was abrupted manually) 8 Run sunglasses Table II.1: Options for ICLB in File.cio Some other adaptation are always required while other depend on the method that is indicated in File.cio 1: sensitivity analysis 2: auto-calibration (ParaSol) 4: rerun best parameter set 5: rerun good parameter set 9: auto-calibration (SUNGLASSES) Figure III.1: File.cio 29 1.2 FIG file In the *.fig file, a line has to be added that indicates the node where calibration has to take place and the variable that will be optimised. Autocal command (16) The command allows the user to print SWAT output to an output file "autocal.out" for one variable to generate a calibration time series. This output file can then be read by the autocalibration. Variables required on the save command line are: Variable name COMMAND HYD_STOR INUM1S INUM2S AUTO_IN Definition The command code =16 for autocalibration Number of one of the previous hydrograph storage location numbers to be used for autocalibration Number of autocalibration file (up to 10) Subdaily, daily or monthly 0: daily registration 1: hourly registration (Only when ievent =1) 3: monthly registration Name of the file with the measurements Table III.2: inputs in the autocal command in *.fig file The format of the autocal command line is: Variable name Line # Position COMMAND 1 space 11-16 HYD_STOR 1 space 17-22 INUM1S 1 space 23-28 INUM2S 1 space 29-34 AUTO_IN 2 Space 11-23 Table III.3: Format for autocal command in *.fig file Format 6-digit integer 6-digit integer 6-digit integer 6-digit integer 13 characters 30 observation filename file number (cfr. objmet/responsmet) Time resolution: 0: daily 1: hourly 3: monthly Figure III.2: Fig-file 1.3 Data file with observations This file has the measurements of the variable that has to be optimized by calibration. This file is a list with following columns: Hourly observations: year (1X5i) day (2x3i) [hour/zero (1x2i)] measured values (1X10F.3) Daily observations: year (1X5i) day (2x,3i), 3x, measured values (1X11F.3) Measured values are in columns with: 1. 2. 3. 4. 5. 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. FLOW m^3/s SED mg/L ORGN mg/L ORGP mg/L NO3 mg/L NH3 mg/L NO2 mg/L MINP mg/L CBOD mg/L DISOX mg/L CHLA ug/L SOLPST mg/L SORPST mg/L BACTP ct/L BACTLP ct/L CMETAL1 mg/LC 31 17. 18. 19. 20. 21. 22. METAL2 mg/LC METAL3 mg/L TEMP deg C Kjeldahl N mg/L Total N mg/L Total P mg/L Montly observations year (1X5i) month (3x2i), 3x, measured values (1X11F.3) 1. FLOW m^3 /s 2. SED metric tons /day 3. ORGN kg N / day 4. ORGP kg P day 5. NO3 kg N / day 6. NH3 kg N / day 7. NO2 kg N / day 8. MINP kg P / day 9. CBOD kg / day 10. DISOX kg / day 11. CHLA kg / day 12. SOLPST mg pesticide / day 13. SORPST mg pesticide / day 14. Kjeldahl kg N / day 15. Total kg N / day 16. Total kg N / day All missing data should have a negative value. These will then be skipped by the calculation of the objective function. Figure III.3: observation file 32 1.4 changepar The changepar file lists the parameters to be changed. These can be GENERAL parameters (1 parameter representing the entire basin, such as parameters listed in basins.bsn file) or HRU-parameters (listed in the *.hru file) or subbasin parameters (listed in the *.rte file). The formats are different. General parameters have 1 line each, HRU/subbasin parameters have one (when they are changed in a LUMPED way – all distributed parameters get the same change) or have 2 lines when they are changed in a DISTRIBUTED way. In this case, a second line lists the HRU/subbasin numbers to be changed. There are also a few routing parameters. Here, the number of the reaches are to be listed. General name line lower border 1 up border 1 parameter code (see table) 1 method code (see table) 1 Number of HRU numbers listed 1 below (=0) Table III.4: inputs for the changepar file format xxxx.xxxxx xxxx.xxxxx xxxxx xxxxx “ 0” space 1-10 11-20 21-25 26-30 31-35 format xxxx.xxxxx xxxx.xxxxx xxxxx xxxxx xxxxx space 1-10 11-20 21-25 26-30 31-35 HRU/subbasin parameters name line lower border 1 up border 1 parameter code (see table) 1 method code (see table) 1 Number of HRU/subbasins 1 numbers listed below If nHRU/subbasins <=2000 lines of 50 values HRU numbers or crop number for changes in the crop.dat file If nHRU/subbasins >2000, all HRU’s of the model are modified and no list of HRU’s should be given Table III.5: formats for the changepar file 50 times(xxxxx) 1 Replacement of parameter by value 2 Adding value to initial parameter 3 Multiplying initial parameter by value Table III.6: Options for imet The options for the parameters are listed in table II.1 33 Parameter bounds Parameter code and name Parmeter change method: 1: replace by value 2: addition of value 3: multiplication of value Figure III.4: Changepar.dat 1.5 objmet.dat This file defines the variables and methods that will be used for the optimization. Each line stands for a OF with a maximum of 20 OF. The OF is described by 3 control parameters: OFMET1 determines which output variable will be used for the OF, OFMET2 determines which method will be used and OFMET3 indicates if loads should be used in stead of concentrations, OFMET4 the number of file (site locations). 34 Table III.7: inputs for objmet.dat OFMET1 i4 The code number of the variable to be saved for calibration: 1: water (m²/s) 2: sediment etc. (like watout) + 20: Kjeldahl nitrogen 21: total nitrogen 22: total phosphorus OFMET2 i4 chose 1 or 5 according to previous described methods for the calculation of the OF (1=SSQ and 5=SSQR) OFMET3 i4 This option can only be used for the pollutants (for daily or hourly). 0 indicates that the concentrations are calibrated, 1 the loads. Monthly is always based on the loads. OFMET4 I4 Code number for the autocalfile in *.fig (1 for autocal1.out, etc) CALW F8.3 Given weight for objective function Variable code (1=flow Objective etc) function 1: SSQ 5: ranked SSQ 8: bias File number (cfr. fig.fig): Figure III.5: Objmet.dat 1.6 responsmet.dat 35 This file defines the variables and methods that will be used for the sensitivity analysis. Each line stands for an output value with a maximum of 100. The output value is described by the control parameters: RESPONSMET1 determines which output variable will be used, RESPONSMET2 what value has to be calculated for the output variable (average concentration, total mass,…). Table III.8: inputs for Responsmet.dat RESPONSMET1 i4 The code number of the variable of interest 1: water (m²/s) 2: sediment (g/l) etc. (like watout) + 20: Kjeldahl nitrogen 21: total nitrogen 22: total phosphorus RESPONSMET2 i4 chose 1-2 according interest 1: average 2: percent of time < then ‘sensw’ threshold RESPONSMET3 i4 This option can only be used for the pollutants. 0 indicates that the concentrations are calibrated, 1 the loads RESPONSMET4 I4 Code number for the autocalfile in basi.fig (1 for autocal1.out, etc) responsw F8 Threshold value for case responsmet2=2 .3 Variable code (1=flow Response function etc) 1: mean value 2: percentage < threshold File number (cfr. fig.fig). Threshold value Figure III.6: Responsmet.dat 36 III.2 RUNNING THE “MC-OAT” SENSITIVITY ANALYSIS III.2.1 INPUT FILES The sensitivity analysis needs input fils listed in III.8 Table III.8: Input files for MC-OAT File.cio Basins.fig Iclb=1 Indication of the location of the output within the model structure Definition of error fuctions Definition of output criteria Control parameters Objmet.dat Responsmet.dat (optional) Sensin.dat Changepar.dat Adapt file (See above) Adapt file (See above) Create file (See above) Create file (See above) Create file (See above) Indication of the parameters to be changed III.2.1.1 SENSIN.dat (INPUT) Sensin.dat lists the control parameters Control parameters Each control parameter uses one line with free format Table III.9: Inputs for sensin.dat parameter NINTVAL ISEED OATVAR descripion Number of intervals in the Latin Hypercube Random seed number parameter change for OAT (fraction) default 20 2003 0.05 III.2.2 outputs Table III.10 lists the output files. Table III.10: Output files for LH-OAT File name Description Sensobjf.out Objective functions values for each run Sensrespons.out Model output values for each run lathyppar.out Latin hypercube sampling points (normalized values) OATpar.out OAT sampling points (normalized values) Senspar.out Parameter values sensout.out Detailed output with mean, variance and partial sensisitivities for each latin hypercube cluster. III.2.2.1 Sensresult.out This file list the parameter ranks. 37 Figure III.7: Sensresult.out 38 III.3 RUNNING “PARASOL” III.3.1 INPUT Parasol performs a combined optimisation and uncertainty analysis. It requires the input files that are listed in III.11. Table III.11: inputs needed for ParaSol File.cio Basins.fig Objmet.dat Responsmet.dat (optional) parasolin.dat iclb=2 Indication of the location of the output within the model structure Definition of error fuctions Definition of output criteria Control parameters + Indication of the parameters to be changed Adapt file (See above) Adapt file (See above) Create file (See above) Create file (See above) Create file (See above) III.3.1.1PARASOLIN.dat (INPUT) liss Parasolin.dat lists the control parameters Each control parameter uses one line with free format (Table III.12) Table III.12: Format for parasolin.dat MAXN 20000 max no. of trials allowed before optimization is terminated KSTOP 5 maximum number of shuffling loops in which the criterion value PCENTO 0.01 percentage by which the criterion value must change... NGS 10 number of complexes in the initial population ISEED 1677 initial random seed Empty line Empty line NSPL 5 number of evolution steps allowed for each complex before comp ISTAT 1 Statistical method (1=Xi-squared; 2=Bayesian) IPROB iprob, when iprob=1 90% probability ; iprob=2 95% probability; 3 iprob=3 97.5% probability number of objective functions to be included in global optimization IGOC 0 (default=0 and means that all objective functions listed in objmet.dat) NINTVAL 10 nintval in hypercube (for Bayesian method only) III.3.2 outputs Table III.10 lists the output files. Table III.10: Output files for ParaSol File name Description Sceobjf.out Objective functions values for each optimization run scerespons.out Model output values for all simulation runs scepar.out Parameter values of all simulation runs sceparobj.out Parameter values of all simulation runs and global optimization criterion Uncobjf.good Objective function values for the good parameter sets in “goodpar.out” Senspar.out Parameter values 39 parasolout.out autocalxx.out Goodpar.out Bestspar.out Detailed output for each optimization loop and uncertainty outputs this files lists the simulated values that will be used for the calibration of point xx See below See below III.3.2.1 ParaSolout.out The main output file is ParaSolout.out. The first part consists of a report on the input files. The second reports for every loop of the SCE algorithm, the third part reports the results of the parameter uncertainty analysis. Minimum value of GOC as printed in the last column of file sceparobj.out Minimum and maximum for all simulations done by SCE, As printed in the files sceobjf.out and scerespons.out Threshold as in equation 15 15 Minimum and maximum of the parameters in goodpar.out Figure III.8: ParaSolout.out III.3.2.2 bestpar.out This file lists the best parameter values. 40 III.3.2.3 goodpar.out This file lists the good parameter values. 41 III.4 Running in batch (Running the good parameter sets) This option enables to run a bunch of parameter sets. It is especially usefull to rerun “goodpar.out” for another period, other scenario’s or to analyse certain objective functions or model outputs. During the runs, the minima and maxima of the indicated output variables are stored. These can then be used to plot confidence intervals for these output variables. III.4.1. INPUT FILES Table III.13 lists the input files. Table III.13: input files for running in batch File.cio Iclb=5 Basins.fig Indication of the location of the output within the model structure changepar.dat Indication of the parameters to be changed Objmet.dat Definition of the Objective Functions Responsmet.dat (optional) Definition of Response Functions batchin.dat Control parameters Goodpar.out File with parameter values. Adapt file (See above) Adapt file (See above) Create file (See above) Create file (See above) Create file (See above) Create file (See above) Create file (See above) Objmet.dat or responsmet.dat could need to be adapted (as well as simulation period in File.cio). III.4.1.2 BATCHIN.dat This file has only the changepar section. The format is described above in the general input section. III.4.1.3 Goodpar.out This file is an output file of “parasol”, but it can also be made manually. Format: 5blancs, (e12.5)*number of parameter III.4.2 OUTPUT FILES MINVAL.out and MAXVAL.out These files list the minima and maxima of the output values, following the order as listed in objmet.dat. 42 III.5 Running SUNGLASSES SUNGLASSES requires split observations files. This means that 1. Out of 1 observation file, 2 observation files have to be created 2. These observations files have to be indicated at the *.fig file 3. These objective functions need to be added to the Objmet.dat file 4. Indicate the IGOC in sunglasses.in. IGOC should be equal to the objective functions for the 1 st period. In most cases, this will be equal to the number of objective functions indicated in objmet.dat, divided by 2. III.5.1 INPUTS Table III.14: Inputs for SUNGLASSES File.cio *.fig changepar.dat Objmet.dat Responsmet.dat (option!) sunglasses.in iclb=8 Indication of the location of the output within the model structure Indication of the parameters to be changed Definition of Objective Functions Definition of Response Functions Control parameters III.5.1.1 *.fig file Figure III.9 shows how the fig file can be adapted for split observation files. 2 43 Adapt file (See above) Adapt file (See above) Create file (See above) Create file (See above) Create file (See above) Create file (See above) III.5.1.2 SUNGLASSES.in (INPUT) The control parameter for sunglasses are equal to parasolin.dat MAXN KSTOP PCENTO NGS ISEED Empty line Empty line NSPL ISTAT IPROB 20000 5 0.01 10 1677 max no. of trials allowed before optimization is terminated maximum number of shuffling loops in which the criterion value percentage by which the criterion value must change... number of complexes in the initial population initial random seed 5 1 number of evolution steps allowed for each complex before comp Statistical method (1=Xi-squared; 2=Bayesian) iprob, when iprob=1 90% probability ; iprob=2 95% probability; iprob=3 97.5% probability number of objective functions to be included in global optimization (default=0 and means that all objective functions listed in objmet.dat) nintval in hypercube (for Bayesian method only) 3 IGOC NINTVAL 0 10 III.5.2 outputs III.5.2.1 bestpar.out This file lists the best parameter values. 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