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WATER RESOURCES RESEARCH, VOL. 42, W03407, doi:10.

1029/2005WR004368, 2006

Bayesian analysis of input uncertainty in hydrological


modeling: 1. Theory
Dmitri Kavetski,1,2 George Kuczera,1 and Stewart W. Franks1
Received 20 June 2005; revised 12 October 2005; accepted 25 October 2005; published 8 March 2006.

[1] Parameter estimation in rainfall-runoff models is affected by uncertainties in the


measured input/output data (typically, rainfall and runoff, respectively), as well as model
error. Despite advances in data collection and model construction, we expect input
uncertainty to be particularly significant (because of the high spatial and temporal
variability of precipitation) and to remain considerable in the foreseeable future. Ignoring
this uncertainty compromises hydrological modeling, potentially yielding biased and
misleading results. This paper develops a Bayesian total error analysis methodology for
hydrological models that allows (indeed, requires) the modeler to directly and
transparently incorporate, test, and refine existing understanding of all sources of data
uncertainty in a specific application, including both rainfall and runoff uncertainties. The
methodology employs additional (latent) variables to filter out the input corruption
given the model hypothesis and the observed data. In this study, the input uncertainty is
assumed to be multiplicative Gaussian and independent for each storm, but the general
framework allows alternative uncertainty models. Several ways of incorporating vague
prior knowledge of input corruption are discussed, contrasting Gaussian and inverse
gamma assumptions; the latter method avoids degeneracies in the objective function.
Although the general methodology is computationally intensive because of the
additional latent variables, a range of modern numerical methods, particularly Monte
Carlo analysis combined with fast Newton-type optimization methods and Hessian-based
covariance analysis, can be employed to obtain practical solutions.
Citation: Kavetski, D., G. Kuczera, and S. W. Franks (2006), Bayesian analysis of input uncertainty in hydrological modeling:
1. Theory, Water Resour. Res., 42, W03407, doi:10.1029/2005WR004368.

1. Introduction and misleading parameter estimates. This is undesirable for


[2] Physical and conceptual hydrological models are several reasons.
important tools for improving our understanding of catch- [3] 1. Since the parameter bias due to input errors will
ment dynamics and making meaningful predictions of vary from catchment to catchment (because of differences in
future environmental responses. Despite the physical basis rain gauge network quality, orographic influences, etc.), it
of many models, their parameters often cannot be reliably may significantly confound regionalization attempts, that is,
estimated a priori and require calibration to fit observed identifying relations between conceptual model parameters
data. However, there is a growing realization that current and catchment properties that can be used for prediction in
hydrological modeling methods do not systematically ac- ungauged basins.
count for data and model uncertainties. These uncertainties [4] 2. Biased parameters can yield biased predictions,
can be very significant in environmental sciences. For especially if the input uncertainty structure varies between
example, although rainfall data often consists of limited calibration and prediction. Moreover, since rainfall uncer-
point samples of precipitation (which is highly variable in tainty affects the uncertainty structure of the calibrated
both space and time), virtually all current calibration meth- parameters, the prediction limits on future responses can
ods limit themselves to a comparison of observed and become erroneous.
predicted streamflows as if rainfall was known exactly. [5] 3. A deeper issue arises from ignoring different types
Recently, Kavetski et al. [2002] surveyed current calibration of error in hydrologic models, which prevents meaningful
paradigms and illustrated that improper application of analysis of model error and hence model adequacy. While
classical least squares regression can yield grossly biased viewing the model as a transfer function mapping inputs to
outputs can yield operationally useful results (the previous
point illustrates a case where this pragmatic approach fails),
this diminishes the scientific credibility and thus confidence
1
Civil, Environmental Engineering and Surveying, University of in hydrological studies. Given that the current generation of
Newcastle, Callaghan, New South Wales, Australia. hydrological model are highly simplified and are applied in
2
Now at Department of Civil and Environmental Engineering, Princeton
University, Princeton, New Jersey, USA. conditions of significant data uncertainty, their analysis
using methods that are robust with respect to data errors
Copyright 2006 by the American Geophysical Union. can aid in detecting genuine model inadequacies and
0043-1397/06/2005WR004368 suggest improvements.
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[6] Methods such as GLUE [e.g., Beven and Binley, 1992] 2006c] details the application of the BATEA methodology
and MOCOM [e.g., Gupta et al., 1998] were developed to several catchments, demonstrating the advantages and
specifically in hydrology and address some shortcomings limitations of current implementations of BATEA, including
of standard least squares methods using ad hoc modifications parameter estimation and model comparison.
of classical and/or Bayesian statistics. Nevertheless, they
make implicit and explicit assumptions that are often violated
2. Bayesian Analysis of Hydrological Models
in environmental modeling [e.g., Kavetski et al., 2002]. In
particular, they are no longer based on explicit error models [10] Consider a hydrological model
and their subjective nature complicates the computation of
statistically meaningful parameter distributions and predic- Y ¼ hðQ; XÞ ð1Þ
tion limits. It is stressed that formal Bayesian methods are
also subjective in their use of priors and in the formulation
of approximate error models. Indeed the very act of where the matrix Y contains the time series of model
modeling involves data interpretation and is thus in- responses (e.g., runoff, saturated areas, groundwater levels,
herently subjective. However, when modeling assumptions etc.) to forcing X (e.g., rainfall, ET, etc.). The model
are explicit, it becomes possible to test them a posteriori. hypothesis is represented by a deterministic or stochastic
Moreover, to the extent that these assumptions are correct, function h: X ! Y closed by the parameter vector Q. All
the prediction limits obtained using formal methods will hydrological models, whether lumped or distributed,
reflect the actual errors in these predictions. The challenge physical or conceptual, can be cast in the form (1). Some
is to make more meaningful assumptions. In particular, additional discussion of model structure in the context of
Kavetski et al. [2002] argue that a serious limitation of the rainfall-runoff simulations can be found in work by
majority of current calibration methods is their treatment Kavetski et al. [2002] and Kavetski et al. [2003].
of forcing (input) uncertainty; it is (explicitly or implicitly) [11] Given the model (1), a prior p(Q, h) and observations
assumed that the inputs are known exactly. ~ = {X,
D ~ Y},
~ Bayesian theory yields the posterior parameter
[7] Kavetski et al. [2002] also introduced the Bayesian ~ h). For conciseness, since all inferences
distribution p(QjD,
total error analysis (BATEA) framework for hydrological here are conditioned on the model hypothesis, explicit
modeling that explicitly accounts for sampling and measure- dependencies on the model h() will be omitted henceforth.
ment uncertainty in both forcing and response data. This The standard regression function typically used in environ-
paper further develops the BATEA methodology, discussing mental modeling is
how current understanding of data and model uncertainty can
 
be transparently incorporated into hydrological modeling. In ~ ¼ E YjQ; X
Y ~ þ ey ð2Þ
particular, since little is currently known about rainfall
sampling errors, it may be difficult to construct precise input which leads to the Bayesian posterior parameter probability
error models. This paper shows that parameter inference can density function (pdf)
proceed with vague input error models, although certain
noninformative data error models can cause a degeneration  
of the inference equations that may be difficult to detect.  ~ X
 p YjQ; ~ pðQÞ
p QjX;
~ Y~ ¼   ð3Þ
[8] The profound asymmetry between the effects of input ~X
p Yj ~
and output uncertainty on model estimation, even for linear
models, was noted in the 1950s by Madansky [1959]. For
example, departures of output errors from the Gaussian ~
where p(YjQ, ~ is the likelihood function describing the
X)
assumptions do not generally introduce parameter bias in sampling distribution of the observations Y ~ (this sampling
least squares estimates, whereas even homogeneous Gauss- distribution depends on the error model selected for the
ian noise in the inputs yields biased parameters. Direct analysis). In the context of regression (2) and (3), the
treatment of input uncertainty makes the most general forcing X is the regressor. Classical regression theory
form of BATEA computationally intensive, introducing embodied in (2) assumes that the regressor is known
additional latent variables as the length of data included ~ = X. Assuming the output is corrupted by
exactly, i.e., X
in the calibration increases. This is the cost of direct uncorrelated Gaussian noise ey with zero mean and un-
treatment of total forcing/response uncertainty in Bayesian known constant variance (with Jeffreys’ uninformative prior
statistics. A decade ago this cost would have been com- p(s2y ) / 1/s2y ) yields the standard least squares (SLS)
putationally prohibitive. Yet recent advances in Monte formulation
Carlo (MC) analysis and numerical methods for function
analysis and optimization, in combination with increased     Ny
computing power, can be exploited to obtain practical and p QjX;
~ Y~ / SSy Q; X;
~ Y~ 2 ð4Þ
insightful Bayesian solutions to the inference and predic-
tion equations. In addition, the Bayesian basis of the
methodology simplifies the updating of the inference as where
additional information (e.g., about the rainfall errors or
model parameters) becomes available.
[9] This paper focuses on the theoretical development
and numerical implementation of the BATEA parameter   XN   
SSy Q; X;
~ Y~ ¼ ~ 2
~yn hn Q; X ð5Þ
estimation equations. The companion paper [Kavetski et al., n¼1

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and n indexes the observations (in the context of continuous [15] Let the exact inputs be related to the observed inputs
simulations, n typically refers to the time step). The SLS via a function g( ), so that X g(X, ~ F), where F is a vector
value of Q can be estimated using optimization methods; the of random variables. For example, in this work, F is the
entire distribution can be sampled using semianalytical or vector of storm multipliers, m = {mi, i = 1. . . Nm}, where mi
Monte Carlo methods [Kuczera and Parent, 1998]. Predic- is the multiplicative error for the depth of the ith storm. The
tion limits for responses can also be computed numerically, multiplier approach assumes the storm depth d is the only
for example, using first-order approximations or Monte quantity in error, whereas the rainfall pattern is correct up to
Carlo samples. a multiplicative constant mi, such that d~i = midi, where d~i
[12] SLS regression yields unbiased parameter estimates and di are the observed and true precipitations depths for the
with minimum variance when the output errors are inde- ith storm. Further discussion of this strategy can be found
pendent and have a Gaussian distribution and the regressor below. Also let {Bx, By} comprise the parameters of the
is known exactly [see, e.g., White, 1981]. Generally, LS are input and output uncertainty models, for example, variance
relatively robust against systematic deviations from the of response measurement errors, mean of input storm multi-
Gaussian output error model (e.g., if the residuals are pliers, etc.
autocorrelated) at the expense of the loss of optimality, [16] Application of Bayes’ equation yields the following
yielding unbiased parameter estimates with underestimated posterior distribution of the model parameters and auxiliary
variance. Moreover, robust regression can be used to reduce error model quantities
the leverage of outliers [Rousseeuw and Leroy, 1987]. Yet    
the Achilles heel of SLS is its significant sensitivity to errors  ~ X;
 p YjQ; ~ F; Bx ; By p Q; F; Bx ; By jX
~
in the regressor, introducing significant parameter biases p Q; F; Bx ; By jX; Y ¼
~ ~   ð6Þ
p Yj ~X~
even when fitting univariate linear models [Jefferys, 1980].
It is unduly optimistic to expect that the problems of SLS
This equation is best understood by viewing {Q, F, Bx, By}
would be reduced in nonlinear models with non-Gaussian ~ =
as a single entity W, applying Bayes’ rule p(WjY)
errors; indeed the opposite is far more likely. ~ ~ ~
p(YjW)p(W)/p(Y) and then conditioning everything on X.
[13] Of particular significance are volume errors in the
[17] It can be further assumed that the prior on {Q, F,
rainfall measurements. As discussed in the case study in the
Bx, By} is independent of the observed forcing X~ and the
companion paper, if storm depths are poorly estimated ~
output likelihood p(Yj) is independent of the input
(which would not be unusual, particularly in sparsely
parameters Bx,
gauged catchments), the mass conservative properties of
rainfall-runoff models can distort parameter values yielding    
 ~ X;
 p YjQ; ~ F; By p Q; F; Bx ; By
poor predictions. Hence, although attractive because of p Q; F; Bx ; By jX;
~ Y~ ¼   ð7Þ
p Yj~X
~
simplicity and well-understood statistical properties, tradi-
tional SLS regression is rarely appropriate in hydrological
modeling because of significant uncertainty in the rainfall In general, the prior in (6) and (7) will also be separable,
forcing. Indeed, it is precisely rainfall errors that typically since prior knowledge on model parameters and data
dominate data errors because of the significant spatial and uncertainty is typically independent.
temporal variability of rainfall fields [Zawadzki, 1973]    
compared with much smaller streamflow errors. A funda- p Q; F; Bx ; By ¼ pðQÞpðFjBx ÞpðBx Þp By ð8Þ
mental problem with (4) and its precursor (3) is illustrated
by comparing calibration in two distinct cases: (1) a rain The second and third components in (8) are absent in the
gauge is outside a large catchment and (2) the rain gauge is traditional regression equations (2) and (3) and represent
inside a small catchment. A user of (3) or (4) may be well the input error model. When the rainfall record is known
aware of the dramatic difference in reliability of the rainfall to be accurate, the distribution p(FjBx) should be highly
records in these situations, yet is powerless to systematically concentrated around the observed value, whereas for data
reflect this knowledge in the likelihood function; it has no known to be inaccurate it should be diffuse. As expected,
terms dependent on input uncertainty. The same problem in the limit as p(FjBx) converges to a Dirac (point) pdf,
arises with other objective functions derived from equation BATEA converges to standard regression with fixed
(4), for example, Nash-Sutcliffe efficiency, lenient GLUE regressor. The priors p(Bx) and p(By) reflect how much
pseudolikelihoods and composite (multiobjective) func- is known about the error models themselves. If the
tions. Addressing this problem is a major objective of this modeler has a good understanding of data sampling errors
study. (i.e., rain gauges and rating curves), this information
[14] Because of the structure of hydrologic models, where should be reflected in p(Bx) and p(By).
the response depends on the forcing, formal Bayesian [18] The very direct treatment of input uncertainty comes
parameter inference accounting for both input and output at a cost: the BATEA inference must be augmented with
uncertainty requires the introduction of additional latent latent variables, making the dimensionality of the problem
variables that correct the forcing series. A generalization dependent on the length of observed data (and the type of
of the BATEA framework introduced by Kavetski et al. error model assumed). In addition, if both the forcing and
[2002] that explicitly incorporates the uncertain forcing response are observed with large uncertainties, the utility of
model and its parameters into the inference equations is any parameter estimation methodology becomes question-
obtained by allowing vague priors on the input error model able, particularly when a poor model is used. Fortunately, in
parameters, for example, the mean and variance of the storm many cases it is reasonable to expect discharge measure-
multipliers. ments to be fairly accurate compared to the rainfall, which is

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the assumption underlying the presentation of BATEA in pattern more or less consistently, the depth measurements
this paper. depend strongly on the trajectory of the storm cell through
[19] The feasibility of BATEA in a practical computation the catchment and may be in systematic error for each
depends vitally on using an efficient numerical implemen- storm. In addition, when information from multiple gauges
tation and taking maximum advantage of the structure of the is combined, the areal average depends on the total basin
problem. Fortunately, the use of smooth well-behaved area and on the areas represented by each gauge. If these
models of the SPM type, coupled with Newton-type opti- areas are inaccurately estimated, the averaged precipitation
mization methods (for recent applications in hydrology, see, depth will also be erroneous. Finally, assuming multiplica-
e.g., Kavetski et al. [2006a, 2006b]) specifically customized tive, rather than additive, errors makes the noise model less
(a la Gauss-Newton) for least squares – type components in scale-dependent.
BATEA posterior distributions allows remarkably fast so- [24] If the storm depth is corrupted by multiplicative
lution of the BATEA equations. The current computational Gaussian noise with known variance, the BATEA posterior
implementation of BATEA will be discussed in more detail parameter pdf is
in section 4.
       
[20] The prior p(Q, F, Bx, By) is modified by the observed p Q; m; By jX; ~ Bx / N mjmm ; s2 p YjQ;
~ Y;
m
~ m pðQÞp By ð9Þ
~ X;
data, yielding the posterior distribution p(Q, F, Bx, ByjX,
~ Y).
~
Unlike the standard regression (3), BATEA yields useful where m is a vector of multipliers (one for each storm) and
feedback about the input/output uncertainty, for example, N(jmm, s2m) is the normal (Gaussian) pdf with known mean
marginal distributions p(FjX, ~ Y).~ The selection and
mm and variance s2m (i.e., Bx = {mm, s2m}). Assuming a priori
validation of error models and prior distributions for unbiased rainfall gauges implies mm = 1. The hydrological
the BATEA equation (6) is discussed in detail below, model is forced by the estimated ‘‘true’’ input X, computed
with emphasis on exploiting available hydrological from the observed input and the multipliers, X ~ m).
g(X,
knowledge. Note that the separability condition (8) is The true input corresponding to a particular multiplier set
convenient yet not strictly necessary: a joint prior can can be computed from the observed input series simply by
also be prescribed. dividing rainfall depth within the storms in the observed
[21] The BATEA equation (6) is closely related to errors- series by its corresponding multiplier (since the multipliers
in-variables methods in econometrics [e.g., Zellner, 1971] are defined as d~i = midi for the ith storm). One of the
and can also be viewed as a general state space model or deficiencies of the multiplier approach is that it does not
nonlinear off-line Kalman filter (note that the final equation allow for nonzero rainfall at time t n if the observed rainfall
(8) assumes independent errors). Unlike current methods in for that time was zero. As will be further discussed below,
hydrology, it directly addresses the total data uncertainty by the multiplier concept is not sacrosanct in BATEA; it can be
specifying error models for both input and output series that replaced by more realistic uncertainty models as our
can and must be tested against all available evidence. understanding of rainfall corruption increases.
Importantly, at the expense of computational complexity, [25] Note that equation (9) is a special case of the general
it does not rely on additional approximations that can BATEA (6) – (8), where F = m, p(FjBx) is Gaussian and the
undermine alternative methods, for example, instrumental input error parameters Bx = {mm, s2m}T are fixed using point
variables (IV) techniques [e.g., Young, 2002]. The latter are (Dirac) priors (hence Bx appears in the conditioning of the
accurate and efficient whenever the input corruption is low posterior pdf).
to moderate, but deteriorate as input uncertainty increases. [26] Although the streamflow record is typically quite
Unfortunately, it is not always easy to diagnose such accurate, recalling the difficulty in distinguishing between
problems in IV methods. output noise and model error, an additive Gaussian noise
[22] The BATEA equations presented in this paper do not model with unknown variance By = s2y is assumed for the
incorporate an explicit (separate) characterization of model output (alternative error models could be used, but are
hypothesis uncertainty; they effectively assume that model tangential to our discussion of input errors), yielding the
error can be absorbed into the data noise. The meaningful posterior pdf
characterization of model uncertainty is therefore the next
challenge, to be tackled after the effects of input error are        
well understood. p Q; m; s2y jX; ~ Bx / N ðmjBx ÞN Yjh
~ Y; ~ m ; s2 p s2 pðQÞ
~ Q; X;
y y

ð10Þ
3. Specification of Input Error Models
3.1. Storm Depth Multiplier Model Specifying the noninformative Jeffreys’ prior on the output
variance makes it possible to integrate s2y out (see Appendix
[23] The rainfall series used in the calibration may span A for details). This procedure is not strictly necessary but is
decades and comprise hundreds of thousands of observa- beneficial to reduce the dimensionality of the problem.
tions. It is hence imperative to exploit any structure in the Prescribing uniform bounded priors on s2y yields the fol-
input error to reduce the number of latent variables in (6). It lowing nonlinear total least squares regression
is currently impractical to make every single rainfall obser-
vation a latent variable (which corresponds to F = X). An     Ny
attractive way to parsimoniously parameterize input uncer- p Q; mjX;
~ Y; ~ 2
~ Bx / N ðmjBx ÞSSy Q; X; Y ð11Þ
tainty is the storm depth multiplier model previously de-
scribed by Kavetski et al. [2002]. The key idea is that where the output sum of squares SSy is defined similarly
although rainfall gauges may register the internal storm to (5), but this time forcing the model with the filtered

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input data computed from the latent variables (storm [32] Whenever little is known about rainfall uncertain-
multipliers m). ties, it is tempting to specify a noninformative prior on
s2m, for example, Jeffreys’ prior p(s2m) / 1/s2m or a
  X
N
uniform rectangular prior p(s2m) = const, i.e., treating it
SSy Q; X; Y
~ ¼ ðyn hn ðQ; XÞÞ2 ð12Þ
n¼1 in the same way as the variance of the output noise.
Keeping a point (Dirac) prior p(mm) at mm = 1 and
[27] The input multiplier model may be modified by assuming a Gaussian multiplier model then yields the
assuming a lognormal distribution of m, thus excluding following posterior pdf, including the input error variance
negative multipliers (the Gaussian model must be trun- as subject of inference
cated to exclude such cases). The posterior distribution is
then         Ny
p Q; m; s2m jX; ~ 2 ð14Þ
~ mm / N mjmm ; s2 p s2 SSy Q; X; Y
~ Y;
m m
    Ny
p Q; mjX; ~ 2
~ Bx / N ðlog mjBx ÞSSy Q; X; Y
~ Y; ð13Þ
[33] Integrating over s2m yields, for Jeffreys’ prior,
where mm = 0 if the prior mode of m is set to 1.0.
[28] The multiplier error model was tested using synthetic   N   Ny
p Q; mjX;
~ Y; ~ 2
~ mm / SSm ðmÞ 2m  SSy Q; X; Y ð15Þ
data by Kavetski et al. [2002], demonstrating its superiority
to standard SLS methods that ignore regressor uncertainty. X
The stormwise multiplier model corresponds to the assump- where SSm(m) = Ni¼1 m
(mi mm)2. Although this approach
tion of multiplicative error such that complete correlation apparently incorporates a noninformative prior on the
exists between intrastorm errors and no correlation exists rainfall uncertainty, a careful attempt to explore (15)
between the interstorm errors. It is also attractive in that it quickly runs into a fatal error: the posterior is unbounded
provides a simple way to identify first-order volume errors whenever mi = mm 8 i, causing the inference to degenerate.
in the rainfall hyetograph. Since mm is the expected value of m, equations (14) and (15)
are unusable. The problem has nothing to do with the
3.2. Noninformative Multiplier Model impropriety of Jeffreys’ prior on s2m; replacing it by a
[29] A special case of the Gaussian input model arises as rectangular prior s2m(min) s2m s2m(max) is also futile: the
s2m ! 1 and the multipliers attain a uniform prior (perhaps maximum of p(Q, mjX, ~ Y)~ then depends very strongly (and
bounded by upper/lower limits). Although possibly appro- almost solely) on s2m(min) and becomes arbitrarily large as
priate in some extreme cases, such an error model assumes s2m(min) ! 0. Even changing the likelihood of the multipliers
that the informational content of the rain gauges series is does not help, since any distribution becomes arbitrarily
limited to pattern only, with no useful information regarding peaked as its variance decreases, ultimately collapsing into
storm depth. The procedure hence discards potentially the Dirac function. This problem highlights the profound
useful information; previous tests using synthetic data asymmetry between the effects of input and output errors:
indicate that this approach is ill posed and inferior to the while almost complete freedom is available when prescrib-
informative Gaussian likelihood. It is also difficult to accept ing output error models, input error models must be
that the rainfall pattern could be captured correctly if the carefully checked.
uncertainty in the actual values is extremely large (or [34] Also note that simply bounding m away from 1, for
infinite, as s2m ! 1 implies). example, using a tolerance em  1 does not solve the
[30] It is noted that calibrating models by sampling problem: the posterior can be made arbitrarily large by
storm multipliers from uniform distributions with wide reducing em. It is sobering that numerical optimization or
bounds and evaluating the goodness of fit using likeli- sampling of (14) may actually produce a ‘‘successful’’
hood functions dependent solely on the observed and result. For example, an uncontrolled uniform importance
predicted responses [e.g., Kavetski et al., 2000] is equiv- sampler may simply report a J-shaped posterior for sm,
alent to specifying the noninformative multiplier model. whereas certain termination conditions (e.g., convergence of
Posterior checks of the multiplier distributions are then successive iterates so that Ds2m is small) may allow optimi-
particularly important to diagnose potential failures of the zation algorithms to report an ‘‘optimal solution’’ s2m  em.
error models. These results are spurious and result from a misuse of
approximation methods.
3.3. Vague Input Error Models [35] The problem with certain priors in errors-in-variables
[31] The inference equations (11) and (13) require knowl- modeling was considered by Zellner [1971] and others.
edge of the parameters of the input error model. Although Although precise prior information on s2m is not necessary,
fixing the mean mm by assuming unbiased gauges may be p(s2m) must have at least some information content, and
reasonable in some cases (orographic influences may negate must certainly discourage s2m  0 (which, in hydrology,
this assumption), less is understood about the degree of makes physical sense since the rainfall is known to contain
rainfall uncertainty, i.e., the multiplier variance s2m, which significant errors).
has a significant effect on the estimated parameters. As [36] Although little is currently understood about rain-
s2m ! 0 BATEA converges toward standard SLS, while fall uncertainty, it is possible to specify a vague prior for
s2m ! 1 leads to the problematic uniform distribution rainfall uncertainty that reasonably agrees with hydrolog-
discussed in the previous section. Values between these ical ‘‘intuition’’. For example, it is unlikely that rainfall
extremes allow variation of input while still favoring errors are on average as low as 1%, or as high as
values closer to the observed data. 1000%.
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[37] Consider an inverse gamma prior on s2m with shape with the parameters and multipliers. Although this yields
parameter n0 > 0 (which can be interpreted as degrees of complete posterior distributions of s2m and s2y , the analytical
freedom) and scale parameter s0 > 0 integration described above is beneficial to reduce the
dimension of the problem and reduce its computational

  1 n 0 s2 burden.
p s2m jn0 ; s0 / n0 þ1
exp 20 ð16Þ
sm 2sm
3.4. Inadequacy of the Input Multiplier Model:
The Need for Realistic Uncertainty Models
Combining this prior with the input likelihood component
yields [40] It would be naive to expect rainfall errors to always
follow the stormwise corruption pattern. Particularly trou-
      blesome are timing errors in either or both rainfall and
p m; s2m jn0 ; s20 / p s2m jn0 ; s20 p mjs2m
  streamflow. In such cases no amount of multiplicative storm
1 n 0 s2 1 SSm ðmÞ depth adjustment will account for the lack of synchroniza-
/ n0 þ1 exp 20 exp
sm 2sm sNmm 2s2m tion between the rainfall and runoff series. Indeed using
ð17Þ multiplicative degrees of freedom to compensate for timing
errors may severely distort the inference. The inadequacy of
the multiplier model emphasizes the importance of prior and
Integrating over s2m and using the Gaussian output error
posterior checks of the error models. For example, when-
model (see Appendix A for details) yields the marginal
ever it is clear that timing errors are present, the data models
posterior pdf as
must be modified, for example, by replacing or augmenting
    Nm þn0 1 storm depth multipliers by shift parameters X with a
p Q; mjX; ~ mm ; n0 ; s20 / SSm ðmÞ þ n0 s20 2
~ Y; prescribed distribution, so that F = {m, X}T. The general
  Ny form of BATEA (6) calls for the specification of appropriate
~ 2
 SSy Q; X; Y ð18Þ input/output models; the multiplier model or the additive
Gaussian output noise are by no means sacrosanct. Yet the
[38] Unlike noninformative priors, the inverse gamma authors hope the availability of a framework to use and
prior prevents the posterior from becoming unbounded refine forcing/response uncertainty models will stimulate
provided v0 and s0 are positive (nonzero). Equation (18) the understanding of data corruption and model error
corresponds to (6) with Bx = {mm, s2m, n0, s20}T, fixed point processes. Also note that, in principle, similar procedures
prior p(mm, n0, s20) and integrating out By = s2y and s2m. The can be used to account for the uncertainty in inputs other
prior parameter s20 is asymptotically related to the expecta- than rainfall, for example, evapotranspiration (ET). Yet
tion of s2m, whereas n0 represent the prior precision of this introducing too many additional error models is also unde-
information (the prior has the same influence on the sirable, since their potential interactions make it difficult to
posterior as n0 additional observations). Note that the check their validity.
posterior parameter distribution (17) does not necessarily [41] It is argued that a balance has to be struck between
imply that values of m near 1.0 are automatically optimal. the complexity of the hydrological model and the com-
The output component of the posterior exerts a strong plexity of the data treatment procedure. The situation
influence on the likelihood function, particularly if the input where a simple hydrological model is supplemented with
discretization into multipliers is coarse relative to the output very complex data models can be just as unsatisfactory as
response discretization, that is, Ny  Nm. As the modeler’s a complex, sensitive model analyzed assuming that the
uncertainty in the input variance increases and n0 ! 0, the rainfall data is exact.
inverse gamma prior asymptotes toward a noninformative
3.5. Utility of BATEA-Calibrated Models:
Jeffreys-type shape, but excludes the problematic region s2m
Regionalization and Prediction
 0. Whenever the knowledge of input errors is very vague,
the parameter optimization is guided more by the response [42] The objectives of parameter estimation are (1) gain-
fit than by preserving the observed inputs. This is reason- ing insight into the catchment dynamics and (2) improving
able in environmental modeling, where rainfall uncertainty the predictions of a model. The first objective is important
usually exceeds streamflow uncertainty. The case study in in scientific hydrology and is also closely related to the
the companion paper further considers the selection of prior problem of parameter regionalization (finding relations
distributions. between the parameters of conceptual models and physical
[39] Following the inference of the model parameters and catchment characteristics). If such relations exist, they can
the true data, it is possible to back calculate the variances s2m be used to estimate parameters for ungauged catchments.
and s2y using the standard formula The second objective concerns engineering hydrology,
where the models are used in flood predictions, real-time
forecasting, etc.
1 X Nz
s2z ¼ ðzn E ½ z Þ2 ð19Þ [43] The immediate utility of BATEA is in regionalization
Nz 1 n¼1 and model analysis. Since the type and extent of input data
uncertainty will vary from catchment to catchment depend-
where z = m, y and the expectation E[] can be estimated ing on the rain gauge network density and quality (as well
numerically using arithmetic averages. These posterior as catchment orography), parameter bias will also vary from
calculations give useful feedback on the estimated extent catchment to catchment and can obscure genuine parameter
of input and output errors. Alternatively, the variances can trends. The reduction of parameter bias using BATEA could
be included into the analysis explicitly as unknowns along alleviate these problems.
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[44] When using BATEA in prediction, several additional MC methods is particularly attractive, since the samples
considerations apply. Since BATEA is designed specifically can be used to visualize parameter distributions, compute
to account for the substantial uncertainty in the hydrological parameter quantiles and moments, as well as compute
forcings, it may not be always appropriate to force the prediction limits on the model response to any forcing.
model with deterministic input during prediction either. [50] Care must also be taken when starting the Metropolis
Possible strategies for incorporating the uncertainty in the algorithm and checking its convergence. Starting the sam-
future inputs are listed below. pling at a random point is problematic since the distribution
[45] 1. Ignore forcing uncertainty, i.e., assume that the may include geometrically complex regions of very low
future forcing is known exactly. This could be appropriate if probability, which can trap the sampler. This work hence
the estimated response to some specific event is required employs multiple chains started at the posterior mode,
(e.g., a 1-in-100 years storm event, or a storm of given computed using an optimization algorithm such as the
magnitude). However, in real-time forecasting, where the SCE method [Duan et al., 1992] or multistart Newton
input data remains uncertain, this approach may lead to algorithms. Either scheme reduces chances of entrapment
misleading predictions; by local minima, but the Newton-based scheme will be
[46] 2. Randomize the future forcing series using the prior more efficient for smooth models (for further discussion, see
uncertainty model employed in the calibration (e.g., drawing Kavetski et al. [2006b]). The convergence of the subsequent
samples of future storm multipliers from the gamma distri- Metropolis sampling is assessed by the mixing of the chains
bution) and use them when constructing prediction limits on [Gelman et al., 1998].
future responses. This approach could be adopted in fore- [51] A good, theoretically near-optimal, initial covariance
casting applications when no data is available to calibrate the matrix C0 for the multinormal proposal distribution can
storm multipliers. It is noted that for vague input uncertainty obtained by inverting the negative Hessian matrix
models such randomization of future forcings may result in @ 2logep(v)/@v2 at the mode v0 of the posterior distribution
significant predictive uncertainty; (the vector v contains all the arguments of the posterior pdf,
[47] 3. Use the posterior, or inferred, input uncertainty for example, vT = {QT, FT, BTx, BTy }. If the distribution is
model to randomize the ‘‘future’’ forcing series (e.g., approximately Gaussian, this initialization is optimal, more-
sampling a multiplier, parametrically or nonparametrically, over, C0 is useful in its own right as a second-order
from the empirical distribution obtained during the approximation to the actual variance of the posterior distri-
BATEA calibration). This method could be used in fore- bution [Gelman et al., 1998]. The Hessian can be approx-
casting applications when the quality of the forcing data is imated using finite differences. In this work an adaptive
similar to that of the forcing data used in the calibration of central difference algorithm that minimizes numerical errors
the storm multipliers. using a variation of Ridder’s method is employed [Press et
al., 1992]. However, for smooth SPM models, computing a
4. Computational Methods for BATEA Gauss-Newton-type Hessian estimate by linearizing the
model with respect to its inputs is also accurate and in fact
[48] A major cost of comprehensively treating total errors more efficient since it is available as a byproduct of the
in models of form (1) using the BATEA formalism (6) is the optimization. Moreover, simply setting the initial covari-
number of additional latent variables parameterizing the ance to a scaled unit matrix with sufficiently small diagonal
input error, potentially resulting in very high dimensional elements and letting Haario updating adjust the proposal
pdfs. For example, each additional storm included in the also worked quite well.
analysis results in an additional latent variable. Exploration [52] It is stressed that given enough sampling, all consis-
of such distributions using analytical or classical numerical tent and stable methods, whether MC, MCMC or determin-
methods remains infeasible, particularly for strongly non- istic, converge to the posterior distribution given by
linear models, yet recent developments in approximation equation (6); the selection of the sampler is hence primarily
methods, particularly Monte Carlo (MC) and Markov Chain a question of computational efficiency and feasibility. As
Monte Carlo (MCMC) methods offer practical methods to more accurate and efficient algorithms are developed, they
explore such complex high-dimensional distributions; more- can supersede the pilot computational schemes suggested in
over, they do not require the knowledge of the proportion- this paper. Finally, in a ‘‘restricted cost’’ application, where
ality constant in (6). complete MCMC analysis of the posterior distribution is
[49] The theory of MCMC methods is gradually maturing infeasible, it is possible to explore the parameter distribu-
[e.g., Chen et al., 2000]; hydrological applications have tions in a simpler way, optimizing the model using (18) as
typically used variations of the Metropolis algorithm the objective function and using perturbations to the optimal
[Kuczera and Parent, 1998]. In general, the Metropolis parameters to identify the local parameter uncertainty. This
scheme can be viewed as an acceptance-rejection sampler ‘‘minimalist’’ approach may succeed for well-behaved
with varying proposal function. As with all importance- models and data, but is inferior to the full MCMC analysis
type samplers, the key to efficiency is the proposal since it yields only local (and hence less reliable) informa-
(generating) distribution. Numerical experimentation tion about the parameter distributions.
showed that a random walk chain with fixed Gaussian
proposal distribution can be grossly inefficient, since an
optimal proposal function is difficult to estimate a priori. 5. Representing Model Error in
Instead, the sampling covariance is adapted using a gen- Parametric Models
eralization of the Haario algorithm [Haario et al., 2001], [53] The current generation of conceptual hydrological
where updating is performed every k steps, rather than models is often a crude approximation of the true catchment
every step. The exploration of posterior distributions using dynamics. Moreover, the modeling errors arising from such
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simplified catchment representation are not necessarily of lems with current calibration schemes that ignore rainfall
simple white noise form, as assumed by traditional param- errors are suggested, including a very general framework
eter estimation methods. As a result of this, not only can the that allows the modeler to use and refine the understanding
parameter estimates become inaccurate, but the prediction of both input/output errors, albeit at an increased computa-
limits also become unreliable. For example, in the classic tional expense. The importance of specifying informative
Bayesian regression paradigm, prediction limits in response prior information on the data accuracy is stressed and
to some forcing are computed by running the model parameter distribution equations are derived on the basis
(sampling its parameters from the posterior distribution) of vague prior accuracy information.
and then adding additional white noise on the responses.
This implies that none of the points forming the
prediction limit curve (or locus) correspond to the Appendix A: Variance Integration in SS Models
model evaluated with a particular parameter set. If [58] The combination of Gaussian error models with
the model is required to satisfy some physical constraints, variance s2 and Jeffreys’ prior p(s2) / 1/s2 allows analyt-
for example, conservation of mass, the prediction limits will ical manipulation to integrate the variance out of the
not, in general, satisfy these requirements. In some cases, inference equations. The sequence of steps is identical
this can yield unnecessarily wide or strange-looking predic- whether employed for the input or output variances. Sup-
tion limits. pose the posterior distribution of some parameters v given
[54] GLUE approaches the problem in a different way. data z (of length N) and model h() contains a Gaussian sum-
Instead of using additional noise to generate the predictive of-squared deviations component
uncertainty, it solely uses variation of model parameters
   
(‘‘parameter uncertainty’’) to generate prediction limits. p v; s2 j~z / N ~zjhðvÞ; s2  1=s2
Therefore GLUE prediction limits are always generated 0 XN 1
from parameter values that have passed the ‘‘quality con- ð~zn hn ðvÞÞ2
/ s exp @
N n¼1 A  1=s2
trol’’ implied by the pseudolikelihood function (although 2s2
each point on the prediction limit curve will generally 
correspond to different parameter sets). This can be a useful N 2 SS ðvÞ
/s exp ðA1Þ
advantage when there is considerable structure in the model 2s2
error that cannot be readily captured by standard models.
Moreover, if the system is such that it intrinsically requires [59] The pdf (A1) can be manipulated to integrate s2 out,
parameter variability, then the approach of simulating this yielding the marginal pdf p(vj~z) as follows [e.g., Box and
variability using a single parameter set plus some external Tiao, 1973]. Applying the transformation s2 = SS/2s yields
noise seems awkward. ds2 = ( SS/2s2)ds and hence
[55] A weakness of GLUE in dealing with model error is Z
that it makes no attempt to check whether or not  
pðvj~zÞ ¼ p v; s2 j~z ds2
parameter variability is truly required in each case.
Z 
Moreover, the width of the parameter distribution is not SS ðvÞ
linked directly to the data. Each pseudolikelihood mea- ¼ s N 2 exp ds2
2s2
sure induces some implicit ‘‘width’’ of parameter poste- Z
 
rior distributions, but no systematic attempt is made to ¼ ðSS ðvÞ=2sÞð N 2Þ=2 exp ð sÞ SS ðvÞ=2s2 ds
check whether this implicit assumption is reasonable. Z
  1
Therefore a hybrid method that systematically combines ¼ SS ðvÞ N =2 ð1=2sÞð N 2Þ=2 exp ð sÞ 2s2 ds
the strengths of both GLUE and classical parameter
estimation could be useful. / SS ðvÞ N =2 ðA2Þ
[56] This two-part paper focuses on systematic treatment
of forcing uncertainty and future work is necessary to since the last integral is a constant independent of v. The
establish whether input errors alone can account for poor advantage of the integration is that it reduces the dimen-
calibration fits often obtained in practice. Nonetheless, since sionality of the problem.
input uncertainty is most likely the dominant source of data [60] In this work the analytical procedure is used for the
uncertainty, it is reasonable to require any calibration output variance in all cases of BATEA, and also for the
method in hydrology to perform robustly when the forcing problematic Jeffreys’ prior on the input variance. Note that
data is corrupt. The authors are investigating several such the model degenerates whenever SS(v*) = 0 for some v*.
approaches for characterizing model error in conditions of The distribution then becomes unbounded and collapses
input uncertainty using the BATEA framework and will into a spike at v*. This is the problem described in the
report their findings in future work. section on vague input models.
[61] The combination of Gaussian models with a variance
6. Conclusions described by an inverse gamma prior is also analytically
integrable and avoids the degeneration when SS(v) = 0.
[57] A general Bayesian total error analysis methodology
for understanding data and model uncertainty in hydrolog-  
  1 SS ðvÞ 1 n0 s20
ical modeling was discussed, focusing on the common p v; s2 j~z / N exp exp
s 2s2 sn0 þ1 2s2
condition where the accuracy of the forcing (rainfall) data 
is significantly inferior to the accuracy of the response 1 SS ðvÞ þ n0 s20
/ N þn0 þ1 exp ðA3Þ
(streamflow) measurements. Practical ways to resolve prob- s 2s2

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[62] Repeating the same sequence of steps then yields the Models, Water Sci. Appl., vol. 6, edited by Q. Duan et al., pp. 49 – 68,
marginal pdf AGU, Washington, D. C.
Kavetski, D., G. Kuczera, and S. W. Franks (2003), Semidistributed hydro-
logical modeling: A ‘‘saturation path’’ perspective on TOPMODEL and
  N þn20 1 VIC, Water Resour. Res., 39(9), 1246, doi:10.1029/2003WR002122.
pðvj~zÞ / SS ðvÞ þ n0 s20 ðA4Þ
Kavetski, D., G. Kuczera, and S. W. Franks (2006a), Calibration of con-
ceptual hydrological models revisited: 1. Eliminating numerical artifacts,
Observe that the density remains finite for any nonnegative J. Hydrol., in press.
value of SS(v) = 0. The interpretation of n0 as the degrees of Kavetski, D., G. Kuczera, and S. W. Franks (2006b), Calibration of con-
ceptual hydrological models revisited: 2. Improving optimisation and
freedom of the prior is also apparent from (A4), where n0 is analysis, J. Hydrol., in press.
added to the number of observations N in the exponent of Kavetski, D., G. Kuczera, and S. W. Franks (2006c), Bayesian analysis of
the SS term. The informational content of the prior is then input uncertainty in hydrological modeling: 2. Application, Water Re-
approximately equal to n0 additional observations. sour. Res., 42, doi:10.1029/2005WR004376, in press.
Kuczera, G., and E. Parent (1998), Monte Carlo assessment of parameter
uncertainty in conceptual catchment models: The Metropolis algorithm,
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