robust parametric models of runoff characteristics at the mesoscale
TRANSCRIPT
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Robust parametric models of runoff characteristics at the mesoscale
Luis Samaniegoa,*, Andras Bardossyb
aInstitute of Regional Development Planning, University of Stuttgart, Stuttgart D-70569, GermanybInstitute of Hydraulic Engineering, University of Stuttgart, Stuttgart, Germany
Received 20 February 2004; revised 28 July 2004; accepted 3 August 2004
Abstract
Many hydrologic studies report that runoff characteristics such as means or extremes of a given basin may be modified due to
climatic and/or land use/cover changes and that the magnitude of these changes largely depends on the geographic location and
the scale at which the study is carried out. Identifying the main causes of variability at the mesoscale, however, is a challenging
task because of the lack of data regarding the spatial distribution of relevant explanatory variables and, if they exist, because of
their high uncertainty. This study proposes a general method to find a robust non-linear model by solving a constrained
multiobjective optimization problem whose solution space is composed of all feasible combinations of given explanatory
variables. As a result, a model that simultaneously fulfills several criteria such as parsimony, robustness, significance, and
overall performance is expected. Furthermore, it does not require assumptions regarding the sampling distributions neither of
the parameters nor of the estimators because their p-values are estimated by a non-parametric technique. Finally, there is no
limitation with respect to the functional form adopted for a given model and its estimator because a generalized reduced
gradient algorithm is used for the calibration of its parameters. The proposed method was tested in the upper catchment of the
Neckar River (Germany) covering an area of approximately 4000 km2. The objective of this study was to detect trends and
responses of runoff characteristics in mesoscale catchments due to changes of climatic or land use/cover conditions. In this case,
the explained variables are the specific total discharge in summer and winter whereas the explanatory variables comprise
several physiographic, land cover and climatic characteristics evaluated for 46 subcatchments during the period 1961–1993.
The results of the study indicate a significant gain in performance and robustness of the selected models compared to traditional
stepwise methods. The applicability of this method to other disciplines and/or locations is possible.
q 2004 Elsevier B.V. All rights reserved.
Keywords: Runoff; Multiobjective optimization; Cross-validation; Permutation test; Mallows’ Cp’ statistic
0022-1694/$ - see front matter q 2004 Elsevier B.V. All rights reserved.
doi:10.1016/j.jhydrol.2004.08.022
* Corresponding author.
E-mail address: [email protected] (L. Samaniego).
1. Introduction
In general, the purpose of modeling is to simulate a
part of ‘reality’ or a system using a set of rules and
algorithms that resemble the behavior and relation-
ships of the observed variables. By doing so,
Journal of Hydrology 303 (2005) 136–151
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1 But not in the sense of continuous rainfall-runoff modeling.2 That is to say, those basins whose length ranges from 102 to less
than 105 m and with an area less than 5000 km2 (Dooge, 1988).
L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 137
a modeler may gain expertise, get a deep under-
standing of the underlying processes and their mutual
interactions, forecast future trends and estimate likely
outcomes of plausible scenarios (Casti, 1984). How-
ever, how complex should a model be to describe an
observed ‘reality’, for instance, one aimed at describ-
ing a given characteristic of the runoff process at the
mesoscale? In order to answer this question one must
take into account three crucial issues, namely: (1) the
data availability, (2) the wise selection of relevant
observables, and (3) the level of predictability of the
model. Let us consider these issues in greater detail in
order to formulate the objective of this study.
First, the data availability, as pointed out by Wilby
(1997), must be ‘carefully considered’ in any model-
ing exercise, especially if its output (i.e. a model) is
projected to have a practical application or perhaps to
become a planning tool (e.g. one to be used in
environmental or regional planning applications).
This implies that a model should have variables that
can be obtained or derived either from existing
databases or by direct surveying; in other words, it
must avoid variables that cannot be estimated because
there is a lack of technical capabilities, their
acquisition is too costly or, even worse, it is too
complex or even impossible to acquire them. If these
guidelines are not observed, a model, perhaps
interesting from a theoretical point of view, would
just be unpractical and most probably misleading in
the realm of planning.
The second and third points mentioned above are
closely related and can be summarized as follows: a
chosen model should exhibit the minimum number of
parameters (i.e. parsimonious), the relationship
among its explanatory variables and the explained
variable should be as simple as possible, the number
of selected explanatory variables should be as few as
possible but they should explain as much as possible
the observed variability of the phenomenon rep-
resented by the explained variable (e.g. a given runoff
characteristic), all its variables should be statistically
significant, and finally, it should be resistant to
outliers, which are very likely to occur in a given
sample.
This paper presents a method for the selection and
validation of robust parametric models, which is
based on long-established stepwise regression
methods and non-parametric and cross validation
techniques.
2. Defining the formal system
There are a number of examples in the literature,
e.g. Chow (1984), Rodriguez-Iturbe (1969), Raudkivi
(1979), Clarke (1994) and Abdulla and Lettenmaier
(1997), in which a characteristic of the water cycle
was related to a set of appropriate explanatory
variables. In general, these methods regard the
intervening variables as time independent. That
means that the sample used for the calibration and
validation of the model is composed of a set of
constant information and a relevant statistic of a runoff
characteristic (e.g. a long-term mean, a percentile, a
maximum, or a minimum) for a set of basins.
In this study, in contrast, the main goal is to
formulate a parametric model that simulates the
development of a runoff characteristic over time1 for
a given set of mesoscale basins2 based on statistically
significant variables representing the main processes
involved in the water cycle at this scale. This implies
that those variables employed in the subsequent
analysis are a time series rather than averages over a
fixed period. In order to achieve the objective
mentioned above it is helpful to recall the following
definition: the hydrologic cycle within a drainage
basin is a ‘sequential, dynamic system in which water
is the major throughput’ (Chow, 1984). This system is
dynamic because it comprises several intertwined
spatial phenomena, or processes, that are changing
constantly over time. It is sequential because there are
inputs, an output, and a working fluid (i.e. water),
called throughput, passing through the system. Con-
sequently, the available information can be divided,
for analytical purposes, into two major categories,
namely: output or explained variable, and inputs or
explanatory variables. The latter can, in turn, be
further subdivided into three main subcategories,
namely: (1) physiographical factors, (2) shares of land
cover types, and (3) climatic or meteorological
factors.
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151138
Physiographical factors comprise all those vari-
ables that can be regarded as constant or quasi-static.
Put differently, those variables for which the period
needed to appreciate a significant change has an order
of magnitude greater than 105 years. These factors
comprise basin and channel characteristics such as:
geological formations that constitute the basin’s
underground; the basin’s soil layers and their specific
soils types; and geometric factors of the drainage
basin such as slope, aspect, shape, size, elevation, and
drainage density (Chow, 1984).
Shares of land cover types exhibit, in general, a
slow changing rate over time (excluding some local
exceptions, land use and land cover seldom change
more than 5% per year (Robinson et al., 1998). The
order of magnitude of a time interval necessary to
perceive a significant change in their values varies
from place to place, but in general, it would be
ranging from 100 to 101 years. These variables stand
for the observable consequences of anthropogenic
activities happening within a basin.
Finally, climatic or meteorological factors are
those variables characterized by extreme variations
in their order of magnitude in very short periods. The
period in which a significant change can be expected
ranges from 101 to even less than 10K4 years
(Kleeberg and Cemus, 1992). In general, these factors
exhibit some periodicity combined with partly chaotic
and stochastic behaviors. This category comprises the
following variables: precipitation, evaporation, solar
radiation, temperature, and atmospheric circulation
patterns (closely related with relative humidity and
wind velocity, among others).
The system described above can be formally
written as follows. Let Qtil be a given observed runoff
characteristic l, or output variable, for a given basin i
in time point t, then Qtil can be written as a function of
relevant observables, namely
Qtil Z f ðGt
i;Uti;M
ti;bÞC3t
i; c i Z 1;.; n;
c t Z 1;.;T ð1Þ
where Gti Z ½xt
i;1; xti;2;.; xt
i;g�T denotes a vector of size
g composed of those observables that describe the
physiographic characteristics of a given basin i in time
point t; it is assumed that GtC1i yGt
i; c iZ1;.; n
;ctZ1;.; T K1: Uti Z ½xt
i;gC1; xti;gC2;.; xt
i;gCu�T
denotes a vector of size u composed of input variables
that describe the land cover and land use states of a
given basin i in time point t; Mti Z ½xt
i;gCuC1; xti;gCuC2;
.; xti;gCuCm�
T is a vector of size m composed of input
variables that describe the climatic conditions of basin
i in time point t. JZgCuCm is the total number of
explanatory variables available in a given sample;
f($), a non-linear function of the previous variables to
be determined; b, a vector of size p* composed of
parameters to be estimated; 3ti is an independent and
identically distributed additive error.
It is assumed that these variables are known for n
basins and T time points, which do not need to be
necessarily consecutive; thus a sample size—for each
variable—composed of n0%nT observations at the
most is known. It should be noted that these variables
have to be evaluated—at least—in semi-annual
intervals to avoid serial autocorrelation.
3. Method
3.1. Notation
Let ~p be a vector of indexes denoting which
variables are included in a given model f($) having p*
parameters; here, pj denotes the j element of ~p: Let p
denote the cardinality of ~p; or in another words, the
number of explanatory variables of such a model. Let
Cp� ð~pÞ denote the Mallows’ statistic associated with a
model having the set of variables fxtip1; xt
ip2;.; xt
ippg
and c a given threshold value. Additionally, let the
statistic Qpjdenote a convenient measure of depen-
dence between the variable xtipj
and Qtil given a
function f($) under the conditions of the null
hypothesis HðjÞ0 (i.e. Variables Qt
il and xtipj
are
independent in RpC1). Let w be the value of the test
statistic based on the available data and a an adequate
level of significance, say 10%; and finally, let Fkð~pÞ
kZ1; 2 be two cross-validation indicators evaluated
independently for a given model but whose para-
meters bk were calibrated by minimizing two different
estimators Lk.
3.2. Estimation of the Mallows’ Cp� statistic
Finding the trade-off between the number of
variables included in a model (p) and its explanatory
power is a crucial point during the model building
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 139
process. As a mater of fact, the greater p, the better the
fit, and the greater the value of R2 is; hence, many
suitable statistics have been proposed to counter-
balance this negative effect. For instance, the adjusted�R2
(Ezekiel, 1930), the Mallows’ Cp� statistic
(Mallows, 1973), and the Akaike’s Information
Criterion (Akaike, 1973). The Cp� criterion has the
advantage compared with an adjusted �R2that in
addition to adjusting the sum of squared errors, it can
be demonstrated that its expectation is equal to the
number of parameters used in the model (Daniel and
Wood, 1980), or
E½Cp� � Z p�: (2)
This means that the closer the value of Cp� to p*
is, the lesser the bias of the fitted model, and hence,
the better the model fit is. Therefore, this statistic is
aimed at guiding in the selection of a model that it
is composed of the minimum number of variables
but explains, as much as possible, the observed
variability in the observations. Using this property
and a given threshold c, a subset of best performing
models can be identified as is shown in Fig. 1.
Fig. 1. Cp* vs. p* plot depicting the subsets of potential models
(POT) satisfying the constraint cp* %cZ13 for winter and summer,
i.e. points under the dashed line. In this case c is equal to the
maximum number of explanatory variables in the saturated model.
As a rule of thumb, c can be made equal to the
maximum number of explanatory variables in the
saturated model, i.e. cZp.
The Mallows’ statistic for a model composed of p
variables is
Cp� ð~pÞ Z1 KR2
p� ð~pÞ
1 KR2J�
ðn0 KJÞC2p� Kn0; (3)
where
R2p� ð~pÞ
Z1K
PTtZ1
PniZ1ðQ
til KQ
tilð~pÞÞ
2
PTtZ1
PniZ1 Qt
il K1n0
PTtZ1
PniZ1 Qt
il
� �2; ð4Þ
R2J�
equal to R2p� if pZJ and p*ZJ*. In other words,
the coefficient of determination associated with a
model containing all input variables available
(i.e. J)
n0
the total number of observationsi
an index related to a given basinl
an index for an observed runoff characteristict
a time indexand
Qtilð~pÞZ f ðxt
ip1;xt
ip2;.;xt
ipp; bkÞ: (5)
Provided a function f($), bk can be estimated for
each proposed model by minimizing the estimator Lk
given by
minbk
Lk ZXT
tZ1
Xn
iZ1
wtijQ
til KQ
tilj
4; (6)
where
wti
a factor corresponding to a spatial unit i during thetime point t introduced to correct heteroscedasti-
city if present in the data set or to diminish the
influence of outliers in the estimation of the
model’s parameters; hence, it will contribute to
improve the model robustness. This factor is
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151140
estimated as follows:
wti Z
1 if j3t
i
s3
j%Zc
0 if j3t
i
s3
jOZc
8>><>>: (7)
s3
the estimated sample standard deviation ofrandom errors provided that the expectation of 3ti
is zero, �3ZE½3ti�Z0
s3 Z
ffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi1
n0 K1
Xt
Xi
ð3tiÞ
2
s(8)
Zc
a threshold value normally ranging from 2 to 3(Rousseeuw and Leroy, 1987),
f
an exponent usually equal to 1 or 2.3 Often called permutation test; see Davison and Hinkley (1997)
for more details.
3.3. Significance test
The inclusion of statistically significant variables
in a model is of key importance to find ‘good’ but
‘simple’ models among the numerous possibilities
given a set of predictors. The main reason for this
is that a non-significant variable will only increase
the total variance without increasing the goodness
of the fit of the model. Otherwise stated, it will
only add noise to the system that, in turn, will
deteriorate the explanatory power of other signifi-
cant predictors. In order to perform a significance
test within the context of this study the following
definitions are necessary. Let the set of observations
(i.e. a sample) of an observed runoff characteristic l
be denoted by
D Z fðQtil;x
tijÞ : i Z1;.;n; t Z1;.;T ;
j2ðp1;.;ppÞg; ð9Þ
whose cardinality (i.e. the number of valid obser-
vations) is
n0 Z jDj%nT : (10)
Based on D, assume that Qtil can be predicted
by a model using p explanatory variables linked by
a known functional f($) and a vector of calibrated
parameters bk; as in (5). In this case, there would be
p null hypotheses H0 and their respective alterna-
tives HA that require testing. The objective of the jth
null hypothesis HðjÞ0 is to test whether the variable xj
in model (5) is independent with respect to the
explained variable Qtil considering the multivariate
joint distribution function where, this model is
defined; or in other words, to infer—based on the
previous sample—that there is no evidence at a
given level of significance a that the variable xj was
chosen by chance when such a model was assessed.
Consequently, a measure of the discrepancy between
the data and the null hypothesis (i.e. a test statistic
Q) should be identified in order to perform these
tests. There are many possibilities to select such
statistic but the simplest measure of dependence
between the variables described above is the
estimator Lk (6) because it would take a large
value under the null hypothesis, and conversely, a
small one if the null hypothesis should not be true.
In the present study, a non-parametric test3 can
be used for assessing a simulated sampling distri-
bution of Q from which the significance probabil-
ities (i.e. p-values) for each respective hypothesis
are to be estimated. In general, Algorithm 1
shows the steps needed to carry out this significance
test.
Algorithm 1. Significance test
(1)
Let fZk2{1,2}(2)
Given a functional QtilZf ðxtip1;xt
ip2;.;xt
ipp; b4ÞC
3ti and the sample D, estimate bk so that min Lk.
Set the test statistic wZLk.
(3)
For all j2{p1,.,pp},(a) For rZ1,.,R,
(i) Generate fxt�ij g as a random permutation
of fxtijg; where iZ1,.,n and tZ1,.,T;
(ii) Generate the simulated data set D�r
replacing fxtijg by fxt�
ij g;
(iii) Based on D*r estimate bkr� so that min
L�kr: The value of the statistic for the
simulated data data set (if HðjÞ0 is true) is
then w�r ZL�
kr:
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 141
(b) Sort w among w�r crZ1;.;R so that
w�ð1Þ%/%w�
ðrK1Þ%w%w�ðrÞ%/%w�
ðRÞ:
(11)
(c) Estimate a one sided Monte Carlo p-value by
p-valuezpmc Zðr K1Þ
RC1: (12)
(d) Select a level of significance (say, aZ5%);
then
(e) Make a decision:
If p-value%a then
0 Reject HðjÞ0 in favor of H
ðjÞA at the level
of significance a, and
0 Conclude. At this level of significance
variables Qtil and xt
ij are certainly not
independent.
Else, HðjÞ0 cannot be rejected at this level of
significance.
4 The sensitivity of a model to the presence of outliers in the data.5 Those models that satisfy the constraints given in (16)–(21).
Here R is the number of realizations carried out in
the permutation test. As a rule of thumb, Davison and
Hinkley (1997) have suggested that a reasonable
estimate of the p-value can be obtained when R is
greater than or equal to 500. In the present case, the
convergence of the p-value was always achieved
when Rz500 (Samaniego, 2003).
Since the observations of the sample D are
independent in space (each i correspond to a different
basin) and assuming that the temporal autocorrelation
can be neglected because of the time span used in the
evaluation (e.g. at semi-annual intervals), a random
permutation of the vector fxtijg for a given j [see step
(3a.i)] can be obtained as follows: (1) Generate a
vector of uniformly distributed random numbers
{yk}Z1,.,n0 (2) Associate to each xtij a random
number yk; Sort {yk} in ascending order so that
yð1Þ%/%yðn0Þ; Rearrange xt
ij according to the relative
ordering in {y(k)} so that the random permutation fxt�ij
gZfxðtÞðiÞjg is obtained.
In the previous algorithm the set fw�ð1Þ/w�
ðrÞ/w�ðRÞg constitutes a good approximation to the null
distribution of the statistic w. Based on this simulated
sampling distribution and the percentile method [see
steps (3b) and (3c)] the standard hypothesis testing
method is applied [see steps (3d) and (3e)] to infer
whether enough evidence exist in favor HðjÞ0 or against
it. This procedure is repeated for every variable j
belonging to a given model.
3.4. Model validation
The purpose of this section is to assess the
robustness4 of a given model, e.g. Qtilð~pÞ: Here, two
Jackknife statistics—hereafter called objective func-
tions—are to be calculated in order to fulfill this
objective.
The first objective function, denoted by F1, is
estimated based on the given model whose parameters
b1 are obtained by minimizing the estimator L1,
whereas the second one, F2, is estimated based on a
model containing the same variables and functional
relationship as the previous one; but whose par-
ameters b2 were obtained by minimizing L2. The
estimators L1 and L2 can be calculated as shown in (6),
with fZ1 and fZ2, respectively. It is worth
mentioning that the former is remarkably more robust
than the latter, as was demonstrated by Rousseeuw
and Leroy (1987). Put differently, each objective
function independently assesses the quality of a given
model with regard to a given estimator.
The sensitivity to outliers—here symbolized by F1
and F2—of each feasible model5 composed of p
variables is estimated by a cross-validation technique
(Efron, 1982; Simonoff, 1996) that is a special case of
the Jackknife Method introduced by Quenouille
(1949) and Tukey (1982). Algorithm 2 describes the
procedure used in this study to validate a given model
Qtilð~pÞ:
Algorithm 2. Model validation
(1)
Given a runoff characteristic l and fZk2{1,2}.(2)
For iZ1,.,n,(a) For tZ1,.,T,
(i) Let EtiZfðQt
il;xtijÞ : j2ðp1;.;ppÞg be a
subset of observations for a given i and t.
Eliminate the subset Eti from the original
sample so that the new subset is~DZDKEt
i;
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151142
(ii) Using ~D estimate ~bk so that min ~Lk;
(iii) Estimate ~QtilZf ðxt
ip1;xt
ip2;.;xt
ipp; ~bkÞ;
(iv) Calculate the Jackknife statistic for the
observation i, t as follows
qti Z ðQt
il K ~QtilÞ
2: (13)
(3)
Calculate the objective functions for a givenmodel by
Fkð~pÞZXn
iZ1
XT
tZ1
qti; qt
iR0: (14)
The interpretation of the value estimated by (14) is
as follows: the lesser its value, the more robust a
model is with regard to the disturbances caused by
outliers.
6 A combinatorial problem that is solvable in Non-Polynomial
time (Hartmann and Rieger, 2002; Coello et al., 2002).
3.5. Problem definition
The goal of this study based on previous definitions
can be formalized as a constrained multiobjective
optimization problem as follows
Find ~p Z½p1;.;pp�T so that
min ½F1ð~pÞ;F2ð~pÞ�T
(15)
subject to
fxtipj
: 1%pj%gg3Gti; (16)
fxtipj
: gC1%pj%gCug3Uti; (17)
fxtipj
: gCuC1%pj%Jg3Mti; (18)
Cp* ð~pÞ%c; (19)
PrðQpj%wjH
ðjÞ0 Þ%a cpj 2~p (20)
JOpR3; (21)
~p is to be determined by a simultaneous minimiz-
ation of both objective functions Fk, kZ1, 2 subject to
constraints given by (16)–(21); i.e. finding a Pareto
optimum. This optimization problem, therefore, is
aimed to single out a model that belongs to the
feasible region and, additionally, exhibits the slightest
sensitivity to outliers regardless of the estimator
employed for the calibration of its parameters.
The aim of these constraints is threefold: (1) to
ensure that each sub subset of explanatory variables
of the system has at least a cardinality equal to one;
(2) to reduce as much as possible the cardinality of
the solution space of a given problem composed of
J explanatory variables; and (3) to guarantee that all
variables of a given model are statistically
significant.
4. Searching for a ‘robust’ model
The multiobjective combinatorial optimization
problem presented in (15) is NP-complete.6 This
means that the running time of an algorithm devised
to find a solution of (15) increases greater than
exponentially with the number of variables J.
Therefore, if J is big, say more than 25, ‘good’
solutions for this problem can only be found by
heuristic approaches such as Simulated Annealing,
Genetic Algorithms, Neural Networks, among
others. On the other hand, if the number of variables
is small, say 13 or less, the ‘optimum’ solution can
be found after estimating all feasible combinations
(i.e. an enumerative approach), since the running
time of such an algorithm is still ‘acceptable’. If a
given problem is in between those thresholds, the
chosen method would largely depend on how big
the sample size is and how many realizations for the
significance test are required. A big sample size (say
n0O1000) would indicate that heuristic approaches
should be used. Since this paper intends to show the
feasibility of the proposed method (i.e. to solve the
problem explicitly written in (15)), it is convenient
to keep the number of variables below the lower
threshold so that the enumerative approach can be
used.
Finding an ‘optimum’ solution for a multiobjective
problem implies that one has to make compromises or
trade-offs between the objectives. For instance, a
solution that has the highest value in the first objective
function but the smallest one in the second objective
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 143
function is considered far from the ‘optimum’. This
kind of optimality was originally proposed by
Edgeworth (1881) and later generalized by Pareto
(1896). A formal definition of the Pareto optimality
can be found in Coello et al. (2002). Since both
objective functions are commensurable [see (13) and
(14)], the simplest technique to find the global
minimum of the problem stated in (15) is to
minimize a weighted sum of the components
(other possibilities also are possible, see Sarker et
al. (2002) or Coello et al. (2002). Formally, this can
be written as
min Fð~pÞZX2
kZ1
ukFkð~pÞ; ckukR0; (22)
where uk are weighting coefficients to be selected.
In this case they were chosen equal to one because
both objective functions are equally important. This
technique, which is the oldest among mathematical
programming methods for solving multiobjective
optimization, is commonly used in scientific and
engineering problems despite its shortcomings (Das
and Dennis, 1997), probably because of its
simplicity and since it can be derived from the
Kuhn–Tucker conditions for non-dominated sol-
utions (Kuhn and Tucker, 1951). Algorithm 3
describes the searching technique employed in this
study.
Algorithm 3. Searching technique
(1)
7 T
is 2J
Select a function f($) for a given a runoff
characteristic l, e.g. potential, multilinear, or a
combination of both.
(2)
Calibrate all possible models7 (i.e. min Lk) givena set of variables ðxti1;x
ti2;.;xt
iJÞ that satisfy
constraints (16)–(18), using two estimators Lk,
kZ1,2: one with 4Z1, and another with 4Z2,
respectively.
(3)
Select all models whose Cp� ð~pÞ%c for eachestimator. These models constitute the subset
of the best performing ones estimated for a
given 4.
he number of possible models given J explanatory variables
.
(4)
Calculate for the previously selected subsets ofmodels the objective functions Fkð~pÞ; kZ1;2;
then estimate F as in (22).
(5)
Rank models in ascending order with regard to F.The model that would exhibit the minimum value
of F is chosen as the most robust model for the
given functional type.
(6)
Repeat Steps (1)–(5) if necessary (e.g. if anotherfunction is to be tested).
(7)
If several functions are tested, the most suitablefunction would be that exhibiting the minimum F
among those attempted.
(8)
Check that all variables constituting the mostrobust model are statistically significant, i.e. those
whose p-value is less than 10%, for both
estimators.
(9)
Additional quality measures such as BIAS, MSE,MAE or RMSE (Bardossy, 1993; Lettenmaier and
Wood, 1993), can be employed for further
screening of less robust models in the case that
there would exist competing models, i.e. those
models that fulfill all constraints and have very
similar values of the aggregated objective func-
tion F.
Since the randomization test used in this study is
a computing intensive technique, it is applied only
to those models that satisfy step (5) of Algorithm 3.
The calibration of the parameters carried out in step
(7) was done by a Generalized Reduced Gradient
(GRG) technique (Wolfe, 1963; Abadie and Car-
pentier, 1969), which has been implemented in
many Fortran subroutines (e.g. Lasdon et al.
(1978)). The GRG algorithm is based on a robust
implementation of the BFGS quasi-Newton algor-
ithm. This procedure requires a non-linear convex
and continuously differentiable objective function
such as (6), an iterative searching procedure that
employs a Hessian matrix estimated by central
differences, and a quadratic extrapolation technique
that search for local minima. Moreover, in order to
ease and speed up the convergence of the solution,
the domains of the input data Qtil and xt
ij—originally
in [0,RC]—were re-scaled to the interval [3, 1].
Those values originally equal to zero were modeled
as a very small positive number—e.g.
3Z1!10K10—in order to avoid indeterminations.
All parameters after the optimization were
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151144
transformed back to their original domains, with the
exception of the estimators Lk, thus L1OL2, as can
be seen in Table 2.
5. Application
Fig. 2. Map showing the location of the Upper Neckar Catchment
within the State of Baden-Wurttemberg, Germany.
5.1. The study area
The proposed method was tested in the upper
catchment of the Neckar River upstream of the
Plochingen gauging station covering an area of
approximately 4000 km2. As shown in Fig. 2, the
Study Area is located to the south and southeast
of Stuttgart, Germany. Its elevation above sea
level ranges from 240 to 1014 m and has a mean
elevation of 546 m. Slopes are in general mild;
90% of its area has slopes varying from 0 to 158,
although some areas in the Swabian Jura or in the
Black Forest may have values as high as 508. The
climate of the Study Area can be classified as Cf
according to Koppen’s notation. This climatic type
is characterized by having warm-to-hot summers
with generally mild winters, and it is wet all
seasons. The coldest and hottest months in the
Study Area are January and July, respectively. The
daily mean air temperature in the former is about
K0.8 8C, whereas in the latter is about 17 8C (for
the period from 1961 to 1990, DWD8). Although
the climate of the area is moderate, a maximum
annual range of about 47.4 8C has been observed
in past decades. The annual variation of precipi-
tation in the Study Area exhibits a multimodal
distribution. Precipitation-events may arise the
whole year round, the rainiest month being June
and the driest one October, whose monthly means
are 126 and 64 mm, respectively (1961–1995,
DWD). The mean annual precipitation observed
during this period is 908 mm.
With regard to land use, the Study Area has
endured rapid land use transitions from cropland or
grassland to either built-up area or industrial usages
since the early 1960s.
8 German Meteorological Service.
5.2. Data availability and variable definition
The basic information for the Study Area was
obtained from several sources, namely:
†
9
The output or explained variables in this study are
the cumulated specific runoff in winter and summer
seasons, Q1 and Q2, respectively. These variables
are estimated for each basin i and time point t based
on the time series of mean daily flows from
midnight to midnight, which were obtained from
LfU9 and DWD for 46 gauging stations within the
Study Area from Nov 1, 1961 to Oct 31, 1993.
Many other runoff characteristics can also be
estimated as described in Samaniego (2003); in
this study, however, only these two are used to
show how to apply the proposed method.
†
The physiographic variables were derived from:(1) a digital elevation model with a spatial
resolution of 30!30 m (LfU); (2) a digitized soil
Institute for Environmental Protection Baden-Wurttemberg.
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Table 1
Definition and notation of input and output variables for the study
area
10
L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 145
map at the scale 1: 200,000 (LfU); and (3) a
digitized geological map at the scale 1: 600,000
(LfU).
Variable Unit Description † Factor NameQ Qi1 mm Total discharge in winter, lZ1
Qi2 mm Total discharge in summer, lZ2
G xi1 km2 Area of the catchment i
xi2 8 Mean catchment slope
xi3 8 Median of the catchment’s
slope
The land cover data were obtained from two main
sources: topographical maps at the scale 1: 25,000
for 1961 (LVA10) and three LANDSAT scenes for
the years 1975, 1984, and 1993 (LfU). The spatial
resolution of these images is 30!300 m reclassi-
fied into three land cover classes: forest, imper-
vious, and permeable cover, respectively.
xi4 8 Trimmed mean slope
†F(15)–F(85)
xi5 8 Trimmed mean slope
F(30)–F(70)
xi6 8 Mean slope of the stream
network
xi7 8 Mean slope in floodplains
xi8 1/km Drainage density
xi9 – Shape factor
xi10 – Fraction of north-facing slopes
xi11 – Fraction of south-facing slopes
xi12 m Mean elevation of the
catchment
xi13 m Difference between max and
min elevation within a catch-
ment
xi14 – Fraction of saturated areas
xi15 mm Mean field capacity
xi16 – Fraction of karstic formations
U xi17 – Mean fraction of forest cover
xi18 – Mean fraction of impervious
cover
xi19 – Mean fraction of permeable
The climatological variables of daily precipitation
and temperature were obtained for 288 meteor-
ological stations in Baden-Wurttemberg from Nov
1, 1961 to Oct 31, 1993 (LfU and DWD). This
information has been subsequently interpolated by
External Drift Kriging with a spatial resolution of
300!300 m (Bardossy, 1999).
Based on the basic information, a number of
indicators or predictors were derived for each
subcatchment and time point within the Study Area
(i.e. 46 subcatchments from 1961 to 1993, hence
nZ46 and TZ33) as displayed in Table 1. For more
details on how to estimate each indicator, please refer
to Samaniego (2003). The size of the samples
(i.e. one for winter and summer, respectively) used
in this study were about n0z1000 observations (after
excluding outliers and years with no information).
They include basins whose area ranges from few
square kilometers to about 4000 km2.
coverM xi20 mm Cumulative winter
precipitation
xi21 mm Cumulative summer
precipitation
xi22 mm Mean winter precipitation
xi23 mm Mean summer precipitation
xi24 mm Maximum antecedent
precipitation index in winter
xi25 mm Maximum antecedent
precipitation index in summer
xi26 K Mean temperature in January
xi27 K Mean temperature in July
xi28 K Maximum temperature in
January
xi29 K Maximum temperature in July
xi30 K Maximum antecedent
temperature index in winter
xi31 K Maximum antecedent
5.3. Model definition
Based on the variables shown in Table 1, it can be
concluded that the solution space is large since there
are 25 explanatory variables (i.e. JZ25). Knowing
that each of these explanatory variables is mutually
correlated with the rest to some degree, it was decided
to take for further analysis only those variables of
each subcategory that have the highest correlation
coefficient with the explained variable and that are
least correlated within each subcategory. As a result
of the screening not only was the solution space
reduced but the multicollinearity of explanatory
variables was minimized. In the present case,
temperature index in summer
State Surveying Agency Baden-Wurttemberg.
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151146
however, it is not recommended to have a total
number of variables less than seven, because the
dimensionality of present system is about seven
(Samaniego, 2003). The selected subsets of variables
for winter and summer are
fxj : jZ7;8;9;11;12;14;15;16;17;18;19;20;26g (23)
and
fxj : jZ7;9;10;13;14;15;16;17;18;19;21;29g; (24)
respectively.
In this study, three convex and continuously
differentiable functions are to be investigated. The
first one is a potential model (shortened to POT) that
considers all possible explanatory variables as having
non-linear relationships with the explained variable.
The second model type, thereafter called MLP1,
regards the climatic variables x20 and x21 as the only
ones having a non-linear relationship with the
explained variable whilst the rest are considered
linearly related with the explained variable. Lastly,
the third model type (shortened to MLP2) regards the
land cover variables as the only ones exhibiting linear
relationships with the output variable. These models
can be written explicitly as
Qtil Zb0
Yj
ðxtijÞ
bj C3ti; (25)
Qtil Zb0 C
Xj
jsj0
bjxtij Cbj0 ðx
tij0 Þ
bj0 C3ti (26)
and
Qtil Zb0 C
Xj2U
bjxtij CbJ*
Yj
j;U
ðxtijÞ
bj C3t
i: (27)
Here
U Z fxj : j Z17;18;19g
l Z1;2
j; j02fp1;.;ppg
j0 Z20 if l Z1
21 if l Z1
(
J� ZpC1
b0,bj,bJ� are the coefficients to be optimized.
It should be noted that in this paper (as opposed to
other studies, e.g. in Abdulla and Lettenmaier (1997))
the error term 3ti in (25)–(27) is additive. This model
feature can be used in this case because the explained
variables are dealing with the specific discharge
instead of the absolute values, which are basin-size
dependent. This, in turn, enables using catchments of
various sizes for the calibration of a given model.
5.4. Results and discussion
The results summarized in Table 2 were obtained
after applying the algorithm 3 to the available data
aiming at obtaining two robust models for the total
discharge in winter and in summer, respectively. It
should be noticed, however, that Table 2 only shows
the three best models for each function type ordered in
decreasing order of robustness (out of a total of 49,146
models generated and evaluated for winter and
summer, respectively).
The optimized parameters for winter and summer
are shown in Table 3. In general, the signs of these
coefficients correspond with the perception one can
have about this natural system. For instance, precipi-
tation and mean slope definitely should have a
positive sign. This means that the higher their values,
the bigger the specific discharge from a given basin
will be. Field capacity, on the contrary, should have a
negative sign because the higher its average value, the
bigger the quantity of water stored in the soil matrix,
and hence, the lesser the expected runoff.
In particular, the negative signs of the land cover
variables in winter can be explained based on the
following hydrological considerations. Forest and
permeable covered surfaces (e.g. grassland, cropland,
or meadows) would tend to have both higher
evapotranspiration and infiltration rates than imper-
vious covered surfaces. Additionally, the overall
roughness of the former is higher than that of the
latter, hence, longer concentration times and lesser
runoff volumes can be expected. This assertion has
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Table 2
Sample of the best models for total discharge in winter and in summer
No. x7 x8 x9 x10 x11 x12 x13 x14 x15 x16 x17 x18 x19 x20 x21 x26 x29 Cp* L1 F1 L2 F2 Obs.
Winter
Potential models: POT
3729 1 1 1 1 1 1 12.6 20.55 0.992 0.967 0.999
3829 1 1 1 1 1 1 1 1 1 9.5 20.24 1.004 0.953 0.986
3837 1 1 1 1 1 1 1 1 1 1 8.5 20.24 1.006 0.949 0.984
Multilinear-potential models: MLP1
7827 1 1 1 1 1 1 1 1 5.1 20.33 0.995 0.940 0.971
7318 1 1 1 1 1 1 1 5.1 20.35 0.996 0.942 0.970
7315 1 1 1 1 1 1 1 5.1 20.35 0.996 0.942 0.970
Multilinear-potential models: MLP2
3733 1 1 1 1 1 1 1 4.8 20.29 0.978 0.934 0.962 *
3734 1 1 1 1 1 1 1 4.7 20.29 0.983 0.934 0.962
3731 1 1 1 1 1 1 4.7 20.30 0.986 0.934 0.963
Summer
Potential models: POT
3965 1 1 1 1 1 1 1 1 1 1 9.9 70.83 7.501 7.249 7.433 *
4093 1 1 1 1 1 1 1 1 1 1 1 11.5 70.82 7.493 7.246 7.449
3967 1 1 1 1 1 1 1 1 1 1 1 11.5 70.81 7.524 7.246 7.443
Multilinear-potential models: MLP1
3967 1 1 1 1 1 1 1 1 1 1 1 12.2 74.97 8.556 8.244 8.457
4095 1 1 1 1 1 1 1 1 1 1 1 1 14.0 75.03 8.540 8.242 8.476
3455 1 1 1 1 1 1 1 1 1 1 15.0 75.09 8.560 8.279 8.477
Multilinear-potential models: MLP2
3967 1 1 1 1 1 1 1 1 1 1 1 16.6 71.49 7.791 7.518 7.736
4095 1 1 1 1 1 1 1 1 1 1 1 1 14.0 71.48 7.809 7.487 7.719
4028 1 1 1 1 1 1 1 1 1 19.9 71.77 7.791 7.567 7.762
1 denotes that a variable is included in the model, otherwise it is omitted. The most robust models are highlighted with the symbol *. All values are dimensionless since the
optimization was carried out in the interval (0, 1]. Because of this L1OL2 (see the corresponding columns). The real values of the estimators can be obtained by LkðmaxðQtilÞÞ
4 with
fZk.
L.
Sa
ma
nieg
o,
A.
Bard
ossy
/Jo
urn
al
of
Hyd
rolo
gy
30
3(2
00
5)
13
6–
15
11
47
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Table 3
Results of the permutation test and optimized parameters for models No. 3733 in winter and No. 3975 in summer, with RZ500 and fZ2
Index j 0 17 19 J* 7 8 11 15 20
Winter—model type MLP2, No. 3733
b2j36.783 K1.166 K0.849 0.223 0.090 0.205 0.089 K0.115 1.199
p-value xj – x0.000 0.008 – x0.000 0.042 x0.000 x0.000 x0.000
Index j 0 7 9 13 14 15 16 17 18 21 29
Summer—model type POT, No. 3965
b2j20.235 0.647 0.135 0.095 K1.822 K0.654 0.007 K0.299 K0.016 1.946 K0.023
p-value xj – x0.000 x0.000 0.012 x0.000 x0.000 x0.000 x0.000 x0.000 x0.000 0.054
L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151148
been confirmed by long-term controlled catchment
experiments in several locations around the globe and
with different types of tree species. Studies carried out
or reported by Law (1956), Bosch and Hewlett (1982),
Kirby et al. (1991), Eeles and Blackie (1993), and
Jones (1997) indicate that afforestation would lead to
a considerable reduction of annual runoff yield. Due
to this rationale, forest and permeable cover would
tend to reduce the seasonal specific yield, and hence, a
negative sign should be expected in the case of a
linear submodel (MLP2).
In summer both coefficients have negative signs.
With regard to forested areas an inverse relationship
between x17 and Q2 can be expected based on the
same rationale presented above. Impervious areas, on
the other hand, would evaporate water to the
atmosphere due to the absorption of heat provided
by the sun, but in much smaller amounts than the latter
because they lack a very important component of the
evapotranspiration process, namely the transpiration
of the vegetal tissue. As a result, a higher yield should
be expected at the outlet of those areas. This
relationship is denoted in the potential model No.
3965 by the negative sign of the exponent of variable
x18, and its smaller absolute value in comparison with
that of variable x17. In fact, these exponents are in the
following ratio b17:b18Z18.7:1.
The performance of the three model types can be
clearly visualized by plotting the results of the two
objective functions as it is depicted in Fig. 3. The left
panel of this figure shows that the best model to
describe the specific runoff in winter is the MLP2
type, whereas the worst is the POT type. In summer,
however, the opposite occurs: the POT type is
the most appropriate as can be seen in the right
panel of Fig. 3.
The significance test for those models marked with
a ‘*’ in Table 2 shows that all variables, with the
exception of x29, are significant at the 5% level, and in
many cases even at 1% level. Hence, the null
hypotheses can be safely rejected at the 5% level of
significance in favor of the alternative hypotheses, i.e.
these variables are certainly not independent from the
explained variable. Results of the Monte Carlo
simulations carried out with 500 replicates are
shown in Table 3.
The Pearson’s correlation coefficient (r) of the
selected models is 0.96 and 0.88 for winter and
summer, respectively. The lower value of r obtained
for the latter along with the higher values of the
objective functions (see Table 2) clearly indicates that
the level of uncertainty of the water system in summer
is higher than that in winter. Furthermore, the RMSE,
which can be thought of as a typical magnitude for
predicted errors, is 28.0 and 38.9 mm for winter and
summer, respectively.
To visualize the goodness of the fit achieved by this
method, the basin of the River Korsch was chosen.
Fig. 4 depicts the observed and calculated values of
the specific discharge as well as other important
variables such as precipitation and three categories of
land cover. This basin, which is located in the vicinity
of Stuttgart, is an interesting case to be analyzed
because it has endured a fast land use/cover change
triggered mainly by anthropogenic driving forces.
Hence, it offers a good example to validate the
calibrated models under extreme situations. In this
basin the impervious cover grew from approximately
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Fig. 3. Plots showing the performance of various model types for
Winter (left panel) and Summer (right panel).
L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 149
7.3% of the total area in 1961 to approximately 30.9%
in 1993, i.e. an average annual growth rate of
approximately 4.6%. Forest, in contrast, grew slowly
from 1961 to the middle of the 1970s and since that
time it has declined (see upper panel of Fig. 4). During
the same period, precipitation has endured a continu-
ous downward trend as illustrated by the dashed line.
Precipitation has a marked periodicity but, in general,
its average is decreasing at the rate of 1.1 mm/year.
Conversely, the seasonal specific discharge has
increased at the rate of 0.83 mm/year during the
same period (see the lower panel of Fig. 4).
Based on the facts presented above and considering
that other factors are quasi-constant or reveal almost
no trend, an upward tendency of the specific discharge
can only be attributed to influences stemming from
land cover changes occurring in the basin since 1961.
This assertion has been corroborated by the models
presented before, which not only predict an upward
trend as can be seen in Fig. 4, but also relate the
specific discharge with two land cover variables,
whose tests of independence with the explained
variable can be rejected even at levels of significance
lower than 1% based on the Monte Carlo simulations
carried out. Moreover, it should be noted that the
selected models represent a regionalization for all
basins within the Study Area, and because of this,
these models might fail to predict with high certainty a
peak or a nadir at a given time point. However, they
have an advantage; i.e. they can perceive upward or
downward tendencies of those variables included in
the model, and hence, predict an expected value for
the explained variable based on such trends. It is
noteworthy to point out that the relationship between
land cover variables and the specific discharge is non-
linear in summer, whereas in winter, due to almost no
physiological activity of vegetation, this relationship
is very close to linear.
6. Conclusions
The following conclusions with regard to the
presented method can be drawn based on the results
reported in this paper.
†
The proposed method proved feasible to beimplemented and as a result of its application,
parsimonious and robust models were obtained for
the specific discharge in winter and summer in the
Study Area. These models are able to reveal many
of the entangled relationships between the pre-
dictors, i.e. the trends contained in the data.
Although the results presented here are valid only
for the Study Area, the proposed method is general
and transferable to other regions provided that
enough information is available for the calibration
and validation phases.
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Fig. 4. Comparison of time series of land cover, precipitation, and specific discharge in winter and summer for the basin of River Korsch.
Calculated values using models No. 3733 for winter and No. 3965 for summer are also displayed.
L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151150
†
The use of a nonlinear optimization algorithmoffered many advantages as compared with more
traditional methods such as the Least Squares
Method. First, it allowed calibrating and selecting a
model so that it performs well under two different
estimators simultaneously. This, in turn, provided
robust models exhibiting quite a high degree of
agreement between calculated and observed
values. Second, it permitted calibrating nonlinear
models with an additive error term. If the error
term of a calibrated model exhibits heteroscedas-
ticity, it can be removed by introducing a
continuous weighting function instead of (7).
†
The proposed method always selects parsimoniousmodels with the minimum number of variables and
parameters. This feature not only provides a clear
insight into the functioning of the system but also
considerably minimized the risk of over-parame-
terization as well as the possible multicollinearity
among predictors.
†
The use of the Jackknife statistic during the cross-validation of the best models has tremendously
facilitated the task of the selection of the ‘best’
model. Additionally, it was of essential importance
in the present study since it allows estimating at the
same time the level of predictability and the
robustness of a model in the presence of data that
contain outliers. One important advantage of this
statistic is that it can always be used regardless of
the estimator employed.
†
Finally, the permutation test employed in this studyto simulate the sampling distribution of the chosen
test statistic under the null hypothesis (e.g.
independence) has proved to be an indispensable
analytical tool where the multivariate joint distri-
bution function of the predictors is unknown.
In this case, had any conventional parametric
statistical test been used, misleading decision
results as to which variable is to be in or out of a
model might have occurred.
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L. Samaniego, A. Bardossy / Journal of Hydrology 303 (2005) 136–151 151
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