Data assimilation in groundwater modelling: ensemble Kalman filter versus ensemble smoothers

Groundwater modelling calls for an effective and robust data integrating method to fill the gap between the model and observation data. The ensemble Kalman filter (EnKF), a real‐time data assimilation method, has been increasingly applied in multiple disciplines such as petroleum engineering and hydrogeology. In this approach, a groundwater model is updated sequentially with measured data such as hydraulic head and concentration. As an alternative to the EnKF, the ensemble smoother (ES) has been proposed for updating groundwater models using all the data together, with much less computational cost. To further improve the performance of the ES, an iterative ES has been proposed for continuously updating the model by assimilating measurements together. In this work, we compare the performance of the EnKF, the ES, and the iterative ES using a synthetic example in groundwater modelling. Hydraulic head data modelled on the basis of the reference conductivity field are used to inversely estimate conductivities at unsampled locations. Results are evaluated in terms of the characterization of conductivity and groundwater flow predictions. It is concluded that (a) the iterative ES works better than the standard ES because of its continuous updating and (b) the iterative ES could achieve results comparable with those of the EnKF, with less computational cost. These findings show that the iterative ES should be paid much more attention for data assimilation in groundwater modelling.     

The role of prior model calibration on predictions with ensemble Kalman filter

This paper, based on a real world case study (Limmat aquifer, Switzerland), compares inverse groundwater flow models calibrated with specified numbers of monitoring head locations. These models are updated in real time with the ensemble Kalman filter (EnKF) and the prediction improvement is assessed in relation to the amount of monitoring locations used for calibration and updating. The prediction errors of the models calibrated in transient state are smaller if the amount of monitoring locations used for the calibration is larger. For highly dynamic groundwater flow systems a transient calibration is recommended as a model calibrated in steady state can lead to worse results than a noncalibrated model with a well-chosen uniform conductivity. The model predictions can be improved further with the assimilation of new measurement data from on-line sensors with the EnKF. Within all the studied models the reduction of 1-day hydraulic head prediction error (in terms of mean absolute error [MAE]) with EnKF lies between 31% (assimilation of head data from 5 locations) and 72% (assimilation of head data from 85 locations). The largest prediction improvements are expected for models that were calibrated with only a limited amount of historical information. It is worthwhile to update the model even with few monitoring locations as it seems that the error reduction with EnKF decreases exponentially with the amount of monitoring locations used. These results prove the feasibility of data assimilation with EnKF also for a real world case and show that improved predictions of groundwater levels can be obtained.     

The Ensemble Kalman Filter for Groundwater Plume Characterization: A Case Study

The Kalman filter is an efficient data assimilation tool to refine an estimate of a state variable using measured data and the variable's correlations in space and/or time. The ensemble Kalman filter (EnKF) (Evensen 2004, 2009) is a Kalman filter variant that employs Monte Carlo analysis to define the correlations that help to refine the updated state. While use of EnKF in hydrology is somewhat limited, it has been successfully applied in other fields of engineering (e.g., oil reservoir modeling, weather forecasting). Here, EnKF is used to refine a simulated groundwater tetrachloroethylene (TCE) plume that underlies the Tooele Army Depot‐North (TEAD‐N) in Utah, based on observations of TCE in the aquifer. The resulting EnKF‐based assimilated plume is simulated forward in time to predict future plume migration. The correlations that underpin EnKF updating implicitly contain information about how the plume developed over time under the influence of complex site hydrology and variable source history, as they are predicated on multiple realizations of a well‐calibrated numerical groundwater flow and transport model. The EnKF methodology is compared to an ordinary kriging‐based assimilation method with respect to the accurate representation of plume concentrations in order to determine the relative efficacy of EnKF for water quality data assimilation.     

Dual states estimation of a subsurface flow-transport coupled model using ensemble Kalman filtering

Modeling the spread of subsurface contaminants requires coupling a groundwater flow model with a contaminant transport model. Such coupling may provide accurate estimates of future subsurface hydrologic states if essential flow and contaminant data are assimilated in the model. Assuming perfect flow, an ensemble Kalman filter (EnKF) can be used for direct data assimilation into the transport model. This is, however, a crude assumption as flow models can be subject to many sources of uncertainty. If the flow is not accurately simulated, contaminant predictions will likely be inaccurate even after successive Kalman updates of the contaminant model with the data. The problem is better handled when both flow and contaminant states are concurrently estimated using the traditional joint state augmentation approach. In this paper, we introduce a dual estimation strategy for data assimilation into a one-way coupled system by treating the flow and the contaminant models separately while intertwining a pair of distinct EnKFs, one for each model. The presented strategy only deals with the estimation of state variables but it can also be used for state and parameter estimation problems. This EnKF-based dual state-state estimation procedure presents a number of novel features: (i) it allows for simultaneous estimation of both flow and contaminant states in parallel; (ii) it provides a time consistent sequential updating scheme between the two models (first flow, then transport); (iii) it simplifies the implementation of the filtering system; and (iv) it yields more stable and accurate solutions than does the standard joint approach. We conducted synthetic numerical experiments based on various time stepping and observation strategies to evaluate the dual EnKF approach and compare its performance with the joint state augmentation approach. Experimental results show that on average, the dual strategy could reduce the estimation error of the coupled states by 15% compared with the joint approach. Furthermore, the dual estimation is proven to be very effective computationally, recovering accurate estimates at a reasonable cost.     

Data assimilation for unsaturated flow models with restart adaptive probabilistic collocation based Kalman filter

The ensemble Kalman filter (EnKF) has gained popularity in hydrological data assimilation problems. As a Monte Carlo based method, a sufficiently large ensemble size is usually required to guarantee the accuracy. As an alternative approach, the probabilistic collocation based Kalman filter (PCKF) employs the polynomial chaos expansion (PCE) to represent and propagate the uncertainties in parameters and states. However, PCKF suffers from the so-called “curse of dimensionality”. Its computational cost increases drastically with the increasing number of parameters and system nonlinearity. Furthermore, PCKF may fail to provide accurate estimations due to the joint updating scheme for strongly nonlinear models. Motivated by recent developments in uncertainty quantification and EnKF, we propose a restart adaptive probabilistic collocation based Kalman filter (RAPCKF) for data assimilation in unsaturated flow problems. During the implementation of RAPCKF, the important parameters are identified and active PCE basis functions are adaptively selected at each assimilation step; the “restart” scheme is utilized to eliminate the inconsistency between updated model parameters and states variables. The performance of RAPCKF is systematically tested with numerical cases of unsaturated flow models. It is shown that the adaptive approach and restart scheme can significantly improve the performance of PCKF. Moreover, RAPCKF has been demonstrated to be more efficient than EnKF with the same computational cost.     

Using data assimilation method to calibrate a heterogeneous conductivity field conditioning on transient flow test data

A data assimilation method is developed to calibrate a heterogeneous hydraulic conductivity field conditioning on transient pumping test data. The ensemble Kalman filter (EnKF) approach is used to update model parameters such as hydraulic conductivity and model variables such as hydraulic head using available data. A synthetical two-dimensional flow case is used to assess the capability of the EnKF method to calibrate a heterogeneous conductivity field by assimilating transient flow data from observation wells under different hydraulic boundary conditions. The study results indicate that the EnKF method will significantly improve the estimation of the hydraulic conductivity field by assimilating continuous hydraulic head measurements and the hydraulic boundary condition will significantly affect the simulation results. For our cases, after a few data assimilation steps, the assimilated conductivity field with four Neumann boundaries matches the real field well while the assimilated conductivity field with mixed Dirichlet and Neumann boundaries does not. We found in our cases that the ensemble size should be 300 or larger for the numerical simulation. The number and the locations of the observation wells will significantly affect the hydraulic conductivity field calibration.     

An approach to handling non-Gaussianity of parameters and state variables in ensemble Kalman filtering

The ensemble Kalman filter (EnKF) is a commonly used real-time data assimilation algorithm in various disciplines. Here, the EnKF is applied, in a hydrogeological context, to condition log-conductivity realizations on log-conductivity and transient piezometric head data. In this case, the state vector is made up of log-conductivities and piezometric heads over a discretized aquifer domain, the forecast model is a groundwater flow numerical model, and the transient piezometric head data are sequentially assimilated to update the state vector. It is well known that all Kalman filters perform optimally for linear forecast models and a multiGaussian-distributed state vector. Of the different Kalman filters, the EnKF provides a robust solution to address non-linearities; however, it does not handle well non-Gaussian state-vector distributions. In the standard EnKF, as time passes and more state observations are assimilated, the distributions become closer to Gaussian, even if the initial ones are clearly non-Gaussian. A new method is proposed that transforms the original state vector into a new vector that is univariate Gaussian at all times. Back transforming the vector after the filtering ensures that the initial non-Gaussian univariate distributions of the state-vector components are preserved throughout. The proposed method is based in normal-score transforming each variable for all locations and all time steps. This new method, termed the normal-score ensemble Kalman filter (NS-EnKF), is demonstrated in a synthetic bimodal aquifer resembling a fluvial deposit, and it is compared to the standard EnKF. The proposed method performs better than the standard EnKF in all aspects analyzed (log-conductivity characterization and flow and transport predictions).     

Improving hydrologic predictions of a catchment model via assimilation of surface soil moisture

This paper examines the potential for improving Soil and Water Assessment Tool (SWAT) hydrologic predictions of root-zone soil moisture, evapotranspiration, and stream flow within the 341 km² Cobb Creek Watershed in southwestern Oklahoma through the assimilation of surface soil moisture observations using an Ensemble Kalman filter (EnKF). In a series of synthetic twin experiments assimilating surface soil moisture is shown to effectively update SWAT upper-layer soil moisture predictions and provide moderate improvement to lower layer soil moisture and evapotranspiration estimates. However, insufficient SWAT-predicted vertical coupling results in limited updating of deep soil moisture, regardless of the SWAT parameterization chosen for root-water extraction. Likewise, a real data assimilation experiment using ground-based soil moisture observations has only limited success in updating upper-layer soil moisture and is generally unsuccessful in enhancing SWAT stream flow predictions. Comparisons against ground-based observations suggest that SWAT significantly under-predicts the magnitude of vertical soil water coupling at the site, and this lack of coupling impedes the ability of the EnKF to effectively update deep soil moisture, groundwater flow and surface runoff. The failed attempt to improve stream flow prediction is also attributed to the inability of the EnKF to correct for existing biases in SWAT-predicted stream flow components.     

Assimilating transient groundwater flow data via a localized ensemble Kalman filter to calibrate a heterogeneous conductivity field

A localized ensemble Kalman filter (EnKF) method is developed to assimilate transient flow data to calibrate a heterogeneous conductivity field. To update conductivity value at a point in a study domain, instead of assimilating all the measurements in the study domain, only limited measurement data in an area around the point are used for the conductivity updating in the localized EnKF method. The localized EnKF is proposed to solve the problems of the filter divergence usually existing in a data assimilation method without localization. The developed method is applied, in a synthetical two dimensional case, to calibrate a heterogeneous conductivity field by assimilating transient hydraulic head data. The simulations by the data assimilation with and without localized EnKF are compared. The study results indicate that the hydraulic conductivity field can be updated efficiently by the localized EnKF, while it cannot be by the EnKF. The covariance inflation and localization are found to solve the problem of the filter divergence efficiently. In comparison with the EnKF method without localization, the localized EnKF method needs smaller ensemble size to achieve stabilized results. The simulation results by the localized EnKF method are much more sensitive to conductivity correlation length than to the localization radius. The developed localized EnKF method provides an approach to improve EnKF method in conductivity calibration.     

Data assimilation with the EnKF in a 1-D numerical model of a North Sea station

A series of numerical experiments for data assimilation with the Ensemble Kalman Filter (EnKF) in a shallow water model are reported. Temperature profiles measured at a North Sea location, 55°30ˊ North and 0°55ˊ East (referred to as the CS station of the NERC North Sea project), are assimilated in 1-D simulations. Comparison of simulations without assimilation to model results obtained when assimilating data with the EnKF allows us to assess the filter performance in reproducing features of the observations not accounted for by the model. The quality of the model error sampling is tested as well as the validity of the Gaussian hypothesis underlying the analysis scheme of the EnKF. The influence of the model error parameters and the frequency of the data assimilation are investigated and discussed. From these experiments, a set of optimal parameters for the model error sampling are deduced and used to test the behavior of the EnKF when propagating surface information into the water column.     

Sampling strategies and square root analysis schemes for the EnKF

The purpose of this paper is to examine how different sampling strategies and implementations of the analysis scheme influence the quality of the results in the EnKF. It is shown that by selecting the initial ensemble, the model noise and the measurement perturbations wisely, it is possible to achieve a significant improvement in the EnKF results, using the same number of members in the ensemble. The results are also compared with a square root implementation of the EnKF analysis scheme where the analyzed ensemble is computed without the perturbation of measurements. It is shown that the measurement perturbations introduce sampling errors which can be reduced using improved sampling schemes in the standard EnKF or fully eliminated when the square root analysis algorithm is used. Further, a new computationally efficient square root algorithm is proposed which allows for the use of a low-rank representation of the measurement error covariance matrix. It is shown that this algorithm in fact solves the full problem at a low cost without introducing any new approximations.     

Data assimilation for distributed hydrological catchment modeling via ensemble Kalman filter

Catchment scale hydrological models are critical decision support tools for water resources management and environment remediation. However, the reliability of hydrological models is inevitably affected by limited measurements and imperfect models. Data assimilation techniques combine complementary information from measurements and models to enhance the model reliability and reduce predictive uncertainties. As a sequential data assimilation technique, the ensemble Kalman filter (EnKF) has been extensively studied in the earth sciences for assimilating in-situ measurements and remote sensing data. Although the EnKF has been demonstrated in land surface data assimilations, there are no systematic studies to investigate its performance in distributed modeling with high dimensional states and parameters. In this paper, we present an assessment on the EnKF with state augmentation for combined state-parameter estimation on the basis of a physical-based hydrological model, Soil and Water Assessment Tool (SWAT). Through synthetic simulation experiments, the capability of the EnKF is demonstrated by assimilating the runoff and other measurements, and its sensitivities are analyzed with respect to the error specification, the initial realization and the ensemble size. It is found that the EnKF provides an efficient approach for obtaining a set of acceptable model parameters and satisfactory runoff, soil water content and evapotranspiration estimations. The EnKF performance could be improved after augmenting with other complementary data, such as soil water content and evapotranspiration from remote sensing retrieval. Sensitivity studies demonstrate the importance of consistent error specification and the potential with small ensemble size in the data assimilation system.     

An application of Ensemble Kalman Filter in integral-balance subsurface modeling

Data assimilation method provides a framework to decrease the uncertainty of hydrological modeling by sequentially incorporating observations into numerical model. Such a process involves estimating statistical moments of different order based on the evolution of conditional probability distribution function. Because of the nonlinearity of many hydrological dynamics, explicit and analytical solutions for moments of state distribution are often impossible. Evensen [J Geophys Res 99(c5): 10143–10162 (1994)] introduced Ensemble Kalman Filtering (EnKF) method to address such problems. We test and evaluate the performance of EnKF in fusing model predictions and observations for a saturated–unsaturated integral-balance subsurface model. We find EnKF improve the model predictions, and also we conclude a good estimate of state variance is essential for the success of EnKF.     

The Ensemble Kalman Filter: theoretical formulation and practical implementation

The purpose of this paper is to provide a comprehensive presentation and interpretation of the Ensemble Kalman Filter (EnKF) and its numerical implementation. The EnKF has a large user group, and numerous publications have discussed applications and theoretical aspects of it. This paper reviews the important results from these studies and also presents new ideas and alternative interpretations which further explain the success of the EnKF. In addition to providing the theoretical framework needed for using the EnKF, there is also a focus on the algorithmic formulation and optimal numerical implementation. A program listing is given for some of the key subroutines. The paper also touches upon specific issues such as the use of nonlinear measurements, in situ profiles of temperature and salinity, and data which are available with high frequency in time. An ensemble based optimal interpolation (EnOI) scheme is presented as a cost-effective approach which may serve as an alternative to the EnKF in some applications. A fairly extensive discussion is devoted to the use of time correlated model errors and the estimation of model bias.Responsible Editor: Jörg-Olaf Wolff     

Application of data assimilation with the Root Zone Water Quality Model for soil moisture profile estimation in the upper Cedar Creek,Indiana

Data assimilation techniques have been proven as an effective tool to improve model forecasts by combining information about observed variables in many areas. This article examines the potential of assimilating surface soil moisture observations into a field‐scale hydrological model, the Root Zone Water Quality Model, to improve soil moisture estimation. The Ensemble Kalman Filter (EnKF), a popular data assimilation technique for nonlinear systems, was applied and compared with a simple direct insertion method. In situ soil moisture data at four different depths (5, 20, 40, and 60 cm) from two agricultural fields (AS1 and AS2) in northeastern Indiana were used for assimilation and validation purposes. Through daily update, the EnKF improved soil moisture estimation compared with the direct insertion method and model results without assimilation, having more distinct improvement at the 5 and 20 cm depths than for deeper layers (40 and 60 cm). Local vertical soil property heterogeneity in AS1 deteriorated soil moisture estimates with the EnKF. Removal of systematic bias in the forecast model was found to be critical for more successful soil moisture data assimilation studies. This study also demonstrates that a more frequent update generally contributes in enhancing the open loop simulation; however, large forecasting error can prevent more frequent update from providing better results. In addition, results indicate that various ensemble sizes make little difference in the assimilation results. An ensemble of 100 members produced results that were comparable with results obtained from larger ensembles. Copyright © 2011 John Wiley & Sons, Ltd.     

Prediction and predictability of a catastrophic local extreme precipitation event through cloud-resolving ensemble analysis and forecasting with Doppler radar observations

Local extreme rain usually resulted in disasters such as flash floods and landslides. Upon today, it is still one of the most difficult tasks for operational weather forecast centers to predict those events accurately. In this paper, we simulate an extreme precipitation event with ensemble Kalman filter (EnKF) assimilation of Doppler radial-velocity observations, and analyze the uncertainties of the assimilation. The results demonstrate that, without assimilation radar data, neither a single initialization of deterministic forecast nor an ensemble forecast with adding perturbations or multiple physical parameterizations can predict the location of strong precipitation. However, forecast was significantly improved with assimilation of radar data, especially the location of the precipitation. The direct cause of the improvement is the buildup of a deep mesoscale convection system with EnKF assimilation of radar data. Under a large scale background favorable for mesoscale convection, efficient perturbations of upstream mid-low level meridional wind and moisture are key factors for the assimilation and forecast. Uncertainty still exists for the forecast of this case due to its limited predictability. Both the difference of large scale initial fields and the difference of analysis obtained from EnKF assimilation due to small amplitude of initial perturbations could have critical influences to the event's prediction. Forecast could be improved through more cycles of EnKF assimilation. Sensitivity tests also support that more accurate forecasts are expected through improving numerical models and observations.     

Using data assimilation method to calibrate a heterogeneous conductivity field and improve solute transport prediction with an unknown contamination source

Hydraulic conductivity distribution and plume initial source condition are two important factors affecting solute transport in heterogeneous media. Since hydraulic conductivity can only be measured at limited locations in a field, its spatial distribution in a complex heterogeneous medium is generally uncertain. In many groundwater contamination sites, transport initial conditions are generally unknown, as plume distributions are available only after the contaminations occurred. In this study, a data assimilation method is developed for calibrating a hydraulic conductivity field and improving solute transport prediction with unknown initial solute source condition. Ensemble Kalman filter (EnKF) is used to update the model parameter (i.e., hydraulic conductivity) and state variables (hydraulic head and solute concentration), when data are available. Two-dimensional numerical experiments are designed to assess the performance of the EnKF method on data assimilation for solute transport prediction. The study results indicate that the EnKF method can significantly improve the estimation of the hydraulic conductivity distribution and solute transport prediction by assimilating hydraulic head measurements with a known solute initial condition. When solute source is unknown, solute prediction by assimilating continuous measurements of solute concentration at a few points in the plume well captures the plume evolution downstream of the measurement points.     

Calibration of a Land Subsidence Model Using InSAR Data via the Ensemble Kalman Filter

The application of interferometric synthetic aperture radar (InSAR) has been increasingly used to improve capabilities to model land subsidence in hydrogeologic studies. A number of investigations over the last decade show how spatially detailed time‐lapse images of ground displacements could be utilized to advance our understanding for better predictions. In this work, we use simulated land subsidences as observed measurements, mimicking InSAR data to inversely infer inelastic specific storage in a stochastic framework. The inelastic specific storage is assumed as a random variable and modeled using a geostatistical method such that the detailed variations in space could be represented and also that the uncertainties of both characterization of specific storage and prediction of land subsidence can be assessed. The ensemble Kalman filter (EnKF), a real‐time data assimilation algorithm, is used to inversely calibrate a land subsidence model by matching simulated subsidences with InSAR data. The performance of the EnKF is demonstrated in a synthetic example in which simulated surface deformations using a reference field are assumed as InSAR data for inverse modeling. The results indicate: (1) the EnKF can be used successfully to calibrate a land subsidence model with InSAR data; the estimation of inelastic specific storage is improved, and uncertainty of prediction is reduced, when all the data are accounted for; and (2) if the same ensemble is used to estimate Kalman gain, the analysis errors could cause filter divergence; thus, it is essential to include localization in the EnKF for InSAR data assimilation.     

Comparison between gradient based UCODE_2005 and the ensemble Kalman Filter for transient groundwater flow inverse modeling

Gradient based UCODE_2005 and data assimilation based on the Ensemble Kalman Filter(EnKF) are two different inverse methods. A synthetic two-dimensional flow case with four no-flow boundaries is used to compare the UCODE_2005 with the Ensemble Kalman Filter(EnKF) for their efficiency to inversely calculate and calibrate a hydraulic conductivity field based on hydraulic head data. A zonal, random heterogeneous conductivity field is calibrated by assimilating the time series of heads observed in monitoring wells. The study results indicate that the two inverse methods, UCODE_2005 and EnKF, could be used to calibrate the hydraulic conductivity field to a certain degree. More available observations and information about the conductivity field, more accurate inverse results will be obtained for the UCODE_2005. On the other hand, for a realistic zonal heterogeneous hydraulic conductivity field, EnKF can only efficiently determine the hydraulic conductivity field at the first several assimilated time steps. The results obtained by the UCODE_2005 look better than those by the EnKF. This is possibly due to the fact that the UCODE_2005 uses observed head data at every time step, while EnKF can only use observed heads at first several steps due to the filter divergence problem.