Geophysical Prospecting, 2007, 55, 589–605 Bayesian inference of the Cole–Cole parameters from time- and frequency-domain induced polarization A. Ghorbani,1,∗ C. Camerlynck,1 N. Florsch,1 P. Cosenza1 and A. Revil2 1 UMR 7619 “Sisyphe”, Université Pierre et Marie Curie, Paris, France, and 2 CNRS-CEREGE, Université d’Aix-Marseille III, Aix-en-Provence, France Received June 2006, revision accepted November 2006 ABSTRACT The inversion of induced-polarization parameters is important in the characterization of the frequency electrical response of porous rocks. A Bayesian approach is developed to invert these parameters assuming the electrical response is described by a Cole–Cole model in the time or frequency domain. We show that the Bayesian approach provides a better analysis of the uncertainty associated with the parameters of the Cole–Cole model compared with more conventional methods based on the minimization of a cost function using the least-squares criterion. This is due to the strong non-linearity of the inverse problem and non-uniqueness of the solution in the time domain. The Bayesian approach consists of propagating the information provided by the measurements through the model and combining this information with a priori knowledge of the data. Our analysis demonstrates that the uncertainty in estimating the Cole–Cole model parameters from induced-polarization data is much higher for measurements performed in the time domain than in the frequency domain. Our conclusion is that it is very difficult, if not impossible, to retrieve the correct value of the Cole–Cole parameters from time-domain induced-polarization data using standard least-squares methods. In contrast, the Cole–Cole parameters can be more correctly inverted in the frequency domain. These results are also valid for other models describing the inducedpolarization spectral response, such as the Cole–Davidson or power law models. 1 INTRODUCTION When a constant electrical current is injected either through a water-saturated porous rock or at the ground surface of a porous soil, part of the electrical power is stored in the medium. When the current is stopped, this stored energy dissipates. This dissipation can be followed by monitoring the voltage either through the core sample or at the ground surface of the earth, using non-polarizing electrodes (e.g. Schlumberger 1920; Seigel 1959). This voltage exhibits a typical relaxation with a mean relaxation time usually ranging from few milliseconds to thousands of seconds (e.g. Seigel, Vanhala and Sheard 1997). This phenomenon is called ‘induced polarization’ (IP) and can be also observed in the frequency domain. ∗ E-mail: C ghorbani@ccr.jussieu.fr 2007 European Association of Geoscientists & Engineers In the frequency domain, IP is characterized by a phase shift between the injected current and the measured voltage. In the frequency domain, the apparent conductivity of the porous material is therefore written as a complex number σ ∗ (ω), given by σ ∗ (ω) = 1 = σ (ω) + iσ (ω), ρ ∗ (ω) (1) where ρ ∗ (ω) is the complex resistivity of the material, ω is the frequency of the excitation current, i2 = −1, and σ and σ are the measured real and imaginary components of the conductivity, respectively. Historically, induced polarization has been extensively used to locate ore deposits (e.g. Madden and Cantwell 1967). More recently, it has been applied in hydrogeophysics (e.g. Kemna, Räkers and Dresen 1999; Kemna, Binley and Slater 2004). 589 590 A. Ghorbani et al. For example, in the case of water-saturated sedimentary and granular materials and soils, the Cole–Cole parameters are closely related to the grain-size distribution and mean grain size of the medium (see Chelidze, Derevjanko and Kurilenko 1977; Chelidze and Guéguen 1999; Kemna 2000). Therefore, a 3D estimation of the grain-size distribution is possible using inversion of the induced-polarization data obtained with an array on non-polarizing electrodes. It was also found that the mean relaxation time of induced polarization is also closely related to the specific surface area of the porous medium. When combined with the electrical formation factor, the mean relaxation time can be used to determine the hydraulic conductivity of soils and rocks (Schön 1996; Slater and Lesmes 2002). This opens exciting perspectives in determining non-invasively the distribution of the hydraulic conductivity of aquifers, with numerous potential applications in the domain of water resources. The Cole–Cole function has also been used recently to model the deformation, in the time domain, of porous sandstones (Revil et al. 2006). The simplest model to represent IP phenomena is the Debye model, which is characterized by a single relaxation time. However, the range of observed relaxation times of watersaturated rocks is relatively wide. Consequently, there have been many attempts to generalize the Debye model in the literature (Wait 1959; Dias 1972, 2000; Pelton 1977; Pelton et al. 1978; Wong 1979). Among the existing models, the Cole–Cole model (Cole and Cole 1941) is the most successful (see Taherian, Kenyon and Safinya (1990) for a statistical comparison of the merits of different models). The Cole–Cole model can be described by the equivalent model with resistors and capacitances (Fig. 1). According to this model, the resistivity and the conductivity of a porous rock are given by ρ ∗ (ω) = ρ0 1 − m 1 − 1 1 + (iωτ )c respectively. The Cole–Cole model depends on four fundamental parameters. They are the DC-resistivity ρ0 = 1/σ0 (σ0 is the DC-conductivity), the chargeability m, the mean relaxation time τ and the Cole–Cole exponent c. In general in mineralized rocks, m and τ depend on the quantity of polarizable elements and their size, respectively (Pelton et al. 1978; Luo and Zhang 1998). The exponent c depends on the size distribution of the polarizable elements (Vanhala 1997; Luo and Zhang 1998). Klein and Sill (1982) found that the time constants were approximately equal to the grain size of the glass beads. Binley et al. (2005) showed that there is a strong relationship between Cole–Cole parameters determined in the frequency domain and the hydraulic conductivity of saturated and unsaturated sandstone cores. Several papers have been published in the last decade on the inversion of the Cole–Cole parameters in both the time and frequency domains. Examples include works by Luo and Zhang (1998), Routh, Oldenburg and Li (1998), Kemna (2000) and Xiang et al. (2001) to cite just a few. These classical methods are all based on minimization of a cost function, the determination of a single value for each of the four Cole–Cole parameters and, in some cases, an estimate of the uncertainty associated with the values of the inverted parameters. If the inverse problem is non-linear, the solution is non-unique, and if the a posteriori probability distributions of the Cole–Cole parameters do not follow Gaussian distributions, optimization approaches cannot yield the correct result. The goal of our paper is to use a Bayesian approach to invert the four (2) and σ ∗ (ω) = σ0 1 + m (iωτ )c 1 + (iωτ )c (1 − m) , (3) Figure 1 An equivalent circuit model corresponding to the Cole–Cole model. C Figure 2 Ill-posed correspondence between the chargeability m of the Cole–Cole model and its normalized version, m ≡ log(m/(1 − m)), used for the Bayesian inversion. 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 591 Cole–Cole parameters and to determine the probability densities in estimating these parameters. The inversion is performed both in the time domain and in the frequency domain in order to compare the merits of inverting the parameters in these two domains. Finally, we discuss the limitation of the least-squares methods by comparing them with our novel approach. 2 T H E B AY E S I A N I N F E R E N C E A P P R O A C H Since the formulation of the Bayesian inversion by Tarantola and Valette (1982a, b) (see also Tarantola 1987; Mosegaard and Tarantola 1995; Scales and Sneider 1997), the Bayes theorem has been widely used to invert geophysical or hydrogeological data for a variety of applications. The philosophy of this approach is closely related to the notion of ‘information theory’. It consists of propagating the ‘information’ (or knowledge) provided by the measurements through the physical law involved (perfectly or probabilistically known), and including the a priori knowledge of the model parameters. Both the data and the model parameters are described with probability distributions. The Bayesian approach preserves the full knowledge provided by the data, combined with the physical law and the a priori information on the data and model parameters. Therefore, it is the most suitable method to perform the inversion of non-linear problems (Tarantola and Valette 1982a,b). The validity of some assumptions reduces the Bayesian method to the use of simple equations and rules (e.g. Florsch and Hinderer 2000; Robain, Lajarthe and Florsch 2001). These assumptions are the following: 1 All the measured data and the unknown model parameters are assumed to be independent parameters. The law connecting the data to the model parameters is written, d = G(θ), (4) where d is the vector of data, θ is the vector of the unknown model parameters, and G is the function describing the for- ward problem. In our case, G is based on the Cole–Cole model used to characterize the induced-polarization problem. 2 The physical law is assumed to be exact and therefore the probability distribution of the physical law is a Dirac function. An alternative choice would be to consider that the Cole– Cole model is not entirely appropriate to describe inducedpolarization data. In such a case, a probability density, taking for example the form of a Gaussian distribution, could be considered, with a standard deviation reflecting the confidence given to such a model. This standard deviation could be determined using a large data base of IP measurements performed over a wide frequency spectrum and ascertaining how well the Cole–Cole model fits the data (e.g. Taherian et al. 1990). In the following, we assume, however, that the Cole–Cole model is correct. 3 The measurements are assumed to follow a Gaussian distribution. This is generally true as long as the noise affecting the data is random and results from applying the superposition principle (Tarantola and Valette 1982a,b). The a posteriori probability density function p(θ) combines the information related to the Gaussian data, the a priori probability density function of the model parameters, and the forward model d = G(θ). This probability distribution is given by (Tarantola and Valette 1982a,b) −1 π(θ) exp −0.5∗ xT Cdd x p(θ) = , (5) μ (θ) where x ≡ d − G (θ), the superscript T denotes the transpose of the vector, d is a vector of N measurements, θ is the vector of unknown Cole–Cole model parameters to be inverted, Cdd is the N × N data covariance matrix, π (θ) is the a priori probability density of the model parameters, and μ (θ) is the homogeneous probability measure. As p(θ) is a probability density, we must have p(θ)dθ = 1. (6) The a priori density π (θ) is used to incorporate a priori knowledge in the model parameters. This probability density could be a Gaussian distribution, a multimodal distribution, or any Table 1 Number of chargeability slices and time-interval sampling of decay curve in time-domain method in Cole mode of a Syscal Pro® instrument. V dly and Mdly are the delay times (in ms), from which the samples (sampling rate of 10 ms) are taken, after injection and after the current cut-off, respectively. The period of current signal injection is 2 s V dly Mdly 1 2-4 5-6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 1260 20 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 180 200 C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 592 A. Ghorbani et al. probabilistic description of the parameter. A locally uniform law (the probability distribution is constant over an interval [θ 1 , θ 2 ] and vanishes elsewhere) is often used to describe this a priori density. The interpretation of μ (θ) is more challenging, especially in the present case. It has been introduced in the general Bayesian approach to generalize Shannon’s definition of information entropy (Tarantola and Valette 1982a). It represents the density probability (or measure) of a given parameter that follows naturally when no a priori knowledge about this model parameter exists. Tarantola (2005) called this term the ‘homogeneous probability measure’. Numerous physical parameters that are positive (such as distances, volumes, densities, electrical conductivities, absolute temperatures, etc.) usually follow non-informative laws of the form μ (θ) = a/θ, where a is constant. These types of parameters are called ‘Jeffreys parameters’ (Jeffreys 1939). These laws show scale-invariance properties: any multiplication or power of a Jeffreys parameter is a Jeffreys parameter, and a fractal transform also conserves their forms. Considering the four Cole–Cole parameters (ρ 0 , m, τ , c), only ρ 0 and τ are Jeffreys parameters. Since all the four parameters involved in the Cole–Cole model are independent, the homogeneous probability measure of the Cole–Cole parameters vector, θ = [ρ 0 , m, τ , c]T is a . (7) μ(θ) = m(1 − m)ρ0 τ Hence, the Bayesian probability distribution is α (θ) = −1 aτρ0 m(1−m)π (θ) exp −0.5∗ (d − G (θ))T Cdd (d − G (θ)) . (8) It is not easy to plot and interpret the four parameter Bayesian probability distributions given by equation (8). Instead, we compute the marginal probability density functions for one or two parameters. This approach is fundamentally different and more informative than plotting the objective function, T d − G (ρ0 , m, τ, c) C−1 . dd d − G (ρ0 , m, τ, c) Indeed, it is impossible to derive full parameter information by slicing the objective function. Marginal laws preserve the Figure 3 Time-domain inversion model with parameters, m = 0.8, c = 0.25, τ = 0.01 s. (a) 3D space of a posteriori pdf. (b) a posteriori pdf versus interval parameter m with parameters, τ and c, fixed. (c), (d), (e) Marginal a posteriori pdfs of pairs of parameters. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 593 full ‘probability density function’ (pdf) because they involve the integration of probability over parameters selected as integration variables. For example, the marginal pdf, integrated with respect to ρ0 and c, is defined by (9) p (m, τ ) = p(ρ0 , m, τ, c)dρ0∗ dc∗ . However, special care must be taken when performing this integration. In the parameters space, dρ0 dc must be a volume dV that preserves the information within intervals of ranges dρ0 and dc. Therefore any change of variable must involve the corresponding Jacobian determinant encapsulated within the volume element. It follows that equation (9) is correct (in this form) only when a constant homogeneous probability measure is used. For instance, when considering Jeffreys parameters, equation (9) can be used only if suitable variables are used, such as s’ = log(s) instead of s. Tarantola (2004) strongly recommended using ‘volumetric probabilities’ instead of ‘probability density’. It follows that the simplest way to use ‘natural’ variables (those for which the homogeneous probability is constant) is to make change of variable so that all the homogeneous probabilities become constant. Therefore, we performed the following change of variable: ⎧ ⎪ ⎨ m → m ≡ log(m/(1 − m)), (10) ρ0 → ρ0 ≡ log(ρ0 ), ⎪ ⎩ τ → τ ≡ log(τ ), and kept c unchanged. The change affecting m is explained in detail in the Appendix. Another possibility that yields the same result is to consider that the transform, ∂m (11) μ (m ) = μ(m) , ∂m is constant. μ(m) and μ (m ) are homogeneous probability measures of m and m , respectively and |∂m/∂m| represents the absolute value of the Jacobian of the transformation (Tarantola and Valette 1982b). Equation (11) yields a differential equation and m = log(m/(1 − m)) is a solution of this equation. Consequently, as in electrical resistance tomography where log(ρ) is a better parametrization than ρ, log(m/(1 − m)) is a better parametrization than m. Figure 4 Time-domain inversion model with parameters, m = 0.8; c = 0.75 and τ = 10 s. (a) 3D space of a posteriori pdf. (b), (c), (d) Marginal a posteriori pdfs of pairs of parameters. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 594 A. Ghorbani et al. The same type of approach was previously applied to chemical concentrations (Tarantola 2005). Indeed, a chemical concentration (mass fraction) C lies between 0 and 1. Consequently, this is not a Jeffreys parameter. A concentration parameterCi is the ratio between a given product mass wi with respect to the total mass M, i.e. Ci ≡ wi /M. Tarantola (2005) introduced an ‘eigenconcentration’ (in his terminology) defined by the ratio Ci ≡ wi /(M − wi ), so thatCi is now a Jeffreys parameter andμ log(Ci ) = a. We adopted a similar approach here. In addition, the chargeability m can be seen as a ‘concentration of polarizable elements’ (Pelton et al. 1978), with the case m = 0 corresponding to the absence of polarizable elements and m = 1 corresponding to the saturation of the medium in polarizable elements. Therefore, the chargeability m shows accumulation effects at m = 0 and m = 1. Figure 2 shows the correspondence between the parameter m and the more meaningful parameter m = log(m/(1 − m)) that illustrates this accumulation effect (ill-posed correspondence between m and m ). Finally in our computations, we used the parameter transform described by equation (10) and the integrations required to estimate the marginal pdf can be simply obtained by summing the sampled probability laws over a regular grid. 3 3.1 INVERSION IN THE TIME DOMAIN The forward problem In the time domain, the chargeability m is determined from the residual voltage measured immediately after the shut-down of an infinitely long, impressed current, divided by the observed voltage just before the shut-down of the current (Seigel 1959; Seigel et al. 1997). For non-metallic media, m ranges between 0 and 0.1. The time constant τ determines the rate of decay of the residual voltage over time. In practice, this parameter has a very broad range, from a few milliseconds to thousands of seconds. The exponent c controls the curvature of the decaying voltage in a log-log space voltage versus time (Seigel et al. 1997). Figure 5 Time-domain inversion model with parameters, m = 0.2, c = 0.25, τ = 0.01 s. (a) 3D space of a posteriori pdf. (b), (c), (d) Marginal a posteriori pdfs of pairs of parameters. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 595 Solving the parametric inversion problem in the time domain requires a numerical solution for the forward problem. Several methods can be used to compute the residual voltage assuming a Cole–Cole model. In the time domain, the following transmitted current cycle (I0 , 0, –I0 , 0), with current amplitude I0 and characteristic duration T, is used. This transmitted current cycle may be expressed in terms of Fourier series as (Tombs 1981) ∞ nπ 3nπ nπt 2 I(t) = I0 cos − cos sin . (12) nπ 4 4 2T n=1 Assuming a Cole–Cole impedance model, the voltage drop measured at a pair of electrodes is (Tombs 1981) V(t) = ∞ 2 nπ 3nπ cos − cos ρ(ωn ) exp (iωn t) , I0 Im nπ 4 4 n=1 (13) where Im(a) corresponds to the imaginary part of the complex parameter a and ωn ≡ nπ/2T are characteristic frequencies. Note that equation (13) converges slowly. An alternative expression of the potential drop V(t) can be derived by applying the Laplace transform to the Cole–Cole equation. This leads to a series of positive or negative powers of (iω). Pelton et al. (1978) determined the voltage response corresponding to a unit positive step of applied current. This yields V(t) = ρ0 m ∞ (−1)n (t/τ )nc n=0 (1 + nc) , (14) where (x) is the gamma function. This expression of V(t) has an extremely slow convergence for t/τ > 10 and values of c less than 1. For a better convergence, equation (14) can be replaced by the following expression (Hilfer 2002): V(t) = ρ0 m ∞ (−1)n+1 (t/τ c)−nc n=1 (1 − nc) . (15) Guptasarma (1982) introduced a digital linear filter to transform the frequency-domain response of polarized ground into the time domain. The computation is easy to perform, very fast, and the relative error of this approach is below 1%. We Figure 6 Time-domain inversion model with parameters, m = 0.2, c = 0.75, τ = 0.01 s. (a) 3D space of a posteriori pdf. (b) Marginal a posteriori pdf law of parameter c alone. (c), (d), (e) Marginal a posteriori pdf of pairs of parameters. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 596 A. Ghorbani et al. used equation (15) and Guptasarma’s approach, separately, to perform the forward model. No differences between the two approaches were observed. 3.2 Classical inversion in the time domain Yuval and Oldenburg (1997) solved the parametric inverse problem by using the approach of Guptasarma (1982). As explained above, we consider a sequence of current flows (I0 , 0, −I0 , 0). The response of the infinite pulse train S(t) can be represented as a sequence of step functions, each delayed by multiples of the switching time T < 4 (T is the period of the full waveform). This sequence is given by T T +V t+ S(t) = V(t) − V t + 4 2 5T 3T + V (t + T) − V t + + ··· + V t+ 4 4 (16) Consequently, using the superposition principle, the forward modelling of this pulse-train response requires superposition of the series of positive and negative step responses (Madden and Cantwell 1967). To accelerate the convergence of the infinite pulse-train response, we apply an alternating series using an Euler transformation (Press et al. 1992). For conventional time-domain IP receivers, it is common to sample the decay through a sequence of N slices or windows. The value recorded for each slice is given by (Johnson 1984, 1990) Mi = C ti+1 V(t)dt. (17) ti We determine the chargeability numerically from the forwardmodelling approach described above. The relaxation time curve is recorded with a minimum delay time of 20 ms; the width of each partial window lasts at least 20 ms and 20 windows are used (Table 1). This corresponds to classical values used for field investigations. The rate of sampling on the delay curve is 5 ms. We record V p , the potential at the cutoff of the electrical current, which is normally close to the initial value of the decay curve V(t). Since the chargeability is given by the normalized ratio of V(t)dt with respect to V p (ti+1− ti ), this ratio does not depend on ρ 0 . Therefore, in the inversion process, we used the normalized transient potential V(t)/V p . When using a Fourier series, at least 104 harmonics should be used to ensure the convergence of the series. This involves frequencies from 0.125 Hz to 1250 Hz. However, in order to reproduce the acquisition of data in the field, we consider a sampling rate of 5 ms, as in most field acquisitions. It is clear that this choice affects the recorded voltage signal (see Table 1). 3.3 Figure 7 Partial chargeability curve for the points a, b, c and d represented on Fig. 6. 103 Vp (ti+1 − ti ) Bayesian inversion in the time domain The computation of the Bayesian solution of the inverse problem is based on equation (8). We record d, the vector of the N sampled normalized residual voltage data assumed to be independent of each other, while θ is the vector of the three remaining unknown parameters (m , c, τ ). All the a priori distributions of the changed variables were taken as uniform within given intervals. The parameter m lies in the range –2.3 to +2.3 and consequently m, given by m = 10m /(1 + 10m ), lies in the range 0.005 to 0.995. The parameter c lies in the range 0 to 1 while τ = log (τ ) lies in the range –4 to 4 or alternatively τ lies in the range 10–4 to 104 s. To represent the 3D a posteriori pdfs, we use 3D plots in the space of the model parameters (m , c, τ ). We plot the marginal laws for the pairs of parameters in the spaces (m , 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 597 c), (m , τ ) and (c, τ ), respectively. To provide a clear insight into the results of the inversion, we study a set of eight examples: each of the three Cole–Cole parameters m, c, and τ can take two distinct values: m = 0.2 and 0.8, c = 0.25 and 0.75 and τ = 0.01 and 10. However, because some of these eight cases present similar results in terms of marginal laws in the spaces (m , c), (m , τ ), and (c, τ ), we choose to present four cases exhibiting very distinct behaviours. They are shown in Figs. 3–7. The results are discussed in the following section. 3.4 Presentation of the results Case 1 This case corresponds to the following set of parameters: m = 0.8, c = 0.25, τ = 0.01 s). In this first case, m is large but both c and τ are small. Figure 3 shows that the solution crosses the entire investigated domain. The marginal plots are shown in Fig. 3(c,d,e). The marginal plots are not simply slices of the full solution domain. Figure 3(b) shows the marginal pdf in the (τ , c) plane (after integration, the diagrams are plotted using the parameter m instead of m ). The ‘equivalence domain’ shown in Fig. 3(c) is rather complex and is very different from those that would be given by Gaussian distributions. Several observations can be made about Fig. 3. First, it must be remembered that the marginal laws are constructed to provide probabilistic estimations of the inverted parameters. Let us consider, for instance, Fig. 3(e), which shows the pdf of m and τ = log (τ ); we denote this pmτ . If this probability is properly normalized, we have 4 1 p m, τ dmdτ = 1, (18) −4 0 which can be used to determine the following probability: p m, τ dmdτ . (19) p(m, τ ∈ D1 ) = D1 The maximum of the pdf must be considered carefully. Indeed, considering the domains D2 and D3 in Fig. 3(e), it is possible that p(m, τ ∈ D3 ) p(m, τ ∈ D2 ), due to the fact that it is the pdf integrals that are meaningful, not the pdfs themselves. Figure 8 The marginal pdf of the Cole–Cole parameters, ρ 0 = 100 m, m = 0.8, c = 0.25, τ = 0.01 s, for synthetic data. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 598 A. Ghorbani et al. Figure 3(e) shows the marginal law (m , τ ) for which several maxima exist. This explains the failure of the classical leastsquares methods to determine the Cole–Cole parameters from time-domain IP data. It is also important to realize that, in such a case, the a posteriori conditional pdf, when integrated within a given box, can have a maximum in a region where the pdf has no maxima. This depends on the sharpness of the pdf in the box. We will discuss this point below. Case 3 This case corresponds to the following set of parameters: m = 0.2, c = 0.25, τ = 0.01 s. In this case, the marginal laws give an equivalence between the parameters that is more pronounced than in the previous cases (Fig. 5). For instance, there is more than one value of τ for one value of m that fits the data. Case 4 Case 2 This case corresponds to the following set of parameters: m = 0.8, c = 0.75, τ = 10 s. In this case, the equivalence domain is simple (Fig. 4). Consideration of the values of the model parameters (m, τ , c), according to the relationships between them that are represented on these diagrams, will all fit the data equally well. For example, if we take τ = 1000 s (τ = 3), m = 0.97, c = 0.6, the data is fitted equally well as when taking m = 0.8, c = 0.75, τ = 10 s. This case corresponds to the following set of parameters: m = 0.2, c = 0.75, τ = 0.01 s. In the marginal law of (m, c) (see Fig. 6d), two branches appear, corresponding to two possible solution areas. From this pdf, we can compute the marginal law of parameter c alone, as shown in Fig. 6(b). It appears that the left-hand part of the (m, c) pdf has a smaller volume than the large ‘mount’ on the right-hand side of the plot, although the left-hand part reach a higher pdf in two or three dimensions. In Fig. 6(a), the pdf has a narrow shape. In such a case, the least-squares methods or the use of simulated annealing Figure 9 The marginal pdf of the Cole–Cole parameters, ρ 0 = 100 m, m =0.8, c = 0.25, τ = 10 s, for synthetic data. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 599 algorithms reach the absolute maximum of the pdf in the 3D parameter space domain, but these methods would still fail to retrieve the correct values of the model parameters. Indeed, the best fit will be found on the left-hand ridge, even though the initial synthetic parameter belongs to the right-hand side of the plot (c = 0.75). This illustrates very well the suitability of the Bayesian approach for strongly non-linear inverse problems. There are equivalence laws such as the one shown in the case corresponding to m = 0.8, c = 0.75, τ = 0.01 s. These diagrams show that the chargeability cannot be correctly recovered. Indeed, any value of m between 0 and 1 will fit the data equally well. Catalogues of the curves used in some software to select a solution could lead to serious errors in estimating the model parameters. Note that whatever the real value of m, inversion of the model parameters in the time domain also yields an acceptable solution with m ∼ = 1. In other words, for any value of m, good fits of the time relaxation curve can be obtained for suitable values of c and τ . For example, Fig. 7 shows, for the set of model parameters: m = 0.2, c = 0.75, τ =0.01 s (curve a in Fig. 7), the curve obtained with this set of values and an alternative (and very different) solution with model parameters: m = 0.99, c = 0.75, τ = 0.0028 s (curve c in Fig. 7). Figures 6 and 7 also show that two remote points in the space parameter domain (see cases a and c in Fig. 6) yield time responses that cannot be distinguished from each other. Moreover, when error bars are taken into account properly, even case b cannot be distinguished from cases a and c. For comparison, the curve with the fully non-compatible solution (m = 0.6, c = 0.2, τ = 10 s) is also plotted (case d in both figures). 4 INVERSION IN THE FREQUENCY DOMAIN Various inversion algorithms based on the non-linear iterative least-squares method have been proposed to invert spectral induced-polarization measurements using the Cole–Cole model (see Pelton et al. 1978, 1984; Jaggar and Fell 1988; Luo and Zhang 1998; Kemna 2000). Xiang et al. (2001) proposed an alternative algorithm, called the ‘direct inversion’ Figure 10 The marginal pdf of the Cole–Cole parameters, ρ 0 = 100 m, m = 0.8, c = 0.75, τ = 0.01 s, for synthetic data. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 600 A. Ghorbani et al. algorithm, which directly identifies the values of the Cole– Cole parameters. However, their algorithm does not provide a full covariance analysis of the inverted values of the model parameters. In this section, we apply the Bayesian algorithm to analyse the information that can be retrieved from spectral IPdata. In addition, we compare the uncertainties of the model parameters with those obtained in the time domain. We first analyse the influence of the Cole–Cole parameters on the spectral IP response in the frequency domain. Increasing the Cole–Cole exponent c increases both the steepness of the phase peak and the slope of the amplitude curve response. The DC-resistivity ρ 0 shifts the amplitude curve vertically, and has no effect on the phase curve. The DC-resistivity is related to the formation factor of the sample, the conductivity of the pore fluid, and the cation exchange capacity of the medium (e.g. Revil et al. 1998). Accounting for the additional parameter ρ 0 in the present case, the results consist of the evaluation of six marginal pdfs, one for each pair of parameters. We use the same set of syn- thetic data as proposed in the previous section and we investigate the frequency range, 1.43 mHz to 12 kHz, with a sampling rate given by 12kHz/2 N where N is number of frequencies used in the SIP FUCHS-II equipment (Radic Research). The a priori range of the model parameters is the same as in the time-domain case investigated in Section 3 except for the additional DC-resistivity, ρ 0 . For this parameter, we consider the a priori range, 30–300 m, while the real value of this parameter is 100 m for all the synthetic cases analysed below. Since ρ 0 is a Jeffreys parameter, we use the uniform probability density, μ(ρ0 ) = a ⇔ μ log(ρ0 ) = a. ρ0 (20) In the time domain, we observed that the application of the inversion scheme requires the computation of slowly converging series. The inversion of the Cole–Cole parameters in the frequency domain is hopefully simpler than in the time domain. Indeed, the Cole–Cole model given by equations (2) Figure 11 The marginal pdf of the Cole–Cole parameters, ρ 0 = 100 m, m = 0.2, c = 0.25, τ = 0.01 s, for synthetic data. C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 601 and (3) corresponds to an analytical complex function transfer, and is consequently easier to invert than the slowly converging series arising in the time domain. The cases are analysed in Figs. 8–11. Figure 8 shows inversion of synthetic data in the spectral domain with ρ 0 = 100 m, m = 0.8, c = 0.25, τ = 0.01 s. The parameters are well determined, only m has a small uncertainty of ±0.1. Figure 9 shows results obtained with parameters: ρ 0 = 100 m, m = 0.8, c = 0.25, τ = 10 s. Large equivalence laws appear between all the parameters: for example, a strong correlation does exist between the values of τ and ρ 0 , and ρ 0 = 125 m (log ρ 0 = 2.1) and τ = 100 s are also compatible with the synthetic data. Figure 10 shows the results for the parameters: ρ 0 = 100 m, m = 0.8, c = 0.75, τ = 0.01 s. The model parameters c and m are widely distributed, while τ and ρ 0 can be accurately determined. There is an ill-posed correspondence between m and m = log(m/(1 − m)) that appears in the m-direction. Results for the model parameters: ρ 0 = 100 m, m = 0.2, c = 0.25, τ = 0.01 s, are shown in Fig. 11. In this case, all the model parameters can be determined accurately. However, note that the uncertainties in c and m are correlated. Finally in this section, we perform a test using a set of real data. We use the data published by Xiang et al. (2003). The results of the Bayesian analysis are shown in Fig. 12. This figure shows the marginal pdf when data are analysed in the frequency interval, 10 mHz – 10 kHz. The space of the model parameters appears much simpler than in the time domain (there is only one pdf maximum and the pdfs appear nearly Gaussian). The three model parameters (ρ 0 , m, τ ) are well determined, but the Cole–Cole exponent c is poorly determined. The maxima of the pdf obtained by the marginal laws for the pairs of parameters, m, c and τ (i.e. the coordinates of the contour centres) are very close to the parameters derived using a classical least-squares method. Thus our approach validates the use of the classical least-squares method for that problem. 5 USE OF HARMONICS OF SQUARE CURRENT SIGNALS An alternative way of performing field or laboratory measurements consists of injecting square signal currents with different periods and measuring the associated voltage difference using Figure 12 The marginal pdf of the Cole–Cole parameters, ρ 0 = 22 m, m = 0.13, c = 0.69, τ = 0.001 s, for the data of Xiang et al. (2003). C 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 602 A. Ghorbani et al. Table 2 Fundamental frequencies and their harmonics used by the Zonge instrument in its complex resistivity mode Harmonics frequencies (in Hz) 3 5 7 9 0.125 1 8 0.375 3 24 0.625 5 40 0.875 7 56 1.125 9 72 a pair of non-polarizing electrodes (e.g. Zonge Engineering and Research Organization). In this case, the spectrum of the measured potential difference is the superposition of the signal corresponding to each square signal. To analyse this case, we use square current signals with the following periods: 0.125, 1.0 and 8.0 s. We then calculate the spectrum of the frequencies, 0.125, 1.0, and 8.0 Hz, including the 3rd, 5th, 7th and 9th harmonics (Table 2) for each fundamental frequency that is shown in Fig. 13(a). The transfer function is ρ(nω0 ) = k V(ω0 , n) , I(n) (21) where n is the harmonic number of each signal, ω0 is the fundamental frequency and ρ, V and I are the apparent resistivity, the voltage drop and the injected current, respectively. This function has uncertainties that increase with the number n of harmonics of the fundamental frequency. These errors are incorporated in our Bayesian inversion approach (Fig. 13b). We assume that there is no error associated with the value of the injected current and that there is only a constant deviation σx associated with the measured potential drop. It follows that the spectral deviation is the deviation σ X (Florsch, Legros and Hinderer 1995), given by σx σX = √ , N (22) Figure 13 (a) Spectrum with fundamental frequencies, 0.125, 1.0 and 8.0 Hz, including the 3rd, 5th, 7th and 9th harmonics for each fundamental frequency. (b) Spectrum of response divided by reference, and the error bars for each harmonic. where N is the number of points in the time sequence. The standard deviation of data can be written, σ X(ω) = nσ (ω0 ). (23) We compute the a posteriori probability density function given by equation (5) using the covariance matrix associated with the data given by equation (23). A synthetic example of the inversion of the model parameters is shown in Fig. 14. The values of the model parameters are ρ 0 = 100 m, m = 0.2, c = 0.75, τ = 0.001 s. From the results plotted in Fig. 14, we conclude that when the harmonics of a fundamental frequency are used to perform induced polarization, only ρ 0 is C well-determined, while the uncertainties associated with the other parameters (m, c, τ ) are still very strong. 6 CONCLUSION The Bayesian approach provides the information (or probability densities) associated with the Cole–Cole parameters, determined from induced-polarization measurements in the time or frequency domains. Because the Cole–Cole parameters can be used to determine the hydraulic conductivity of aquifers, 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 Bayesian inference of IP parameters 603 Figure 14 The marginal pdf of the Cole–Cole parameters, ρ 0 = 100 m, m = 0.2, c = 0.75, τ = 0.001 s, for synthetic data. The spectrum is created using the fundamental frequencies 0.125, 1.0, and 8.0 Hz, including the 3rd, 5th, 7th and 9th harmonics for each fundamental frequency. this approach has strong implications in hydrogeophysics for determining the permeability using a Bayesian analysis. In this paper, the Bayesian approach has been applied to the determination of the Cole–Cole parameters using measurements simulated both in the time domain and in the frequency domain, for which a wider range of frequencies were investigated. While the use of the Cole–Cole model could reveal limitations of our approach, we showed that the Bayesian approach developed here could be used to investigate the uncertainty associated with the inversion of alternative models such as the Cole– Davidson model. The Bayesian procedure results in an explanation of why the classical time-domain approach cannot lead to a proper estimate of the Cole–Cole parameters. For completeness, we investigated the frequency-domain induced polarization, using the harmonics of square current signals in a low-frequency range, and theoretically reaching a broader spectrum than that obtained using the classical time-domain relaxation associated with a single current injection (corresponding to a single frequency). However, we showed that error bars in- C crease for the harmonics of each fundamental frequency. The Bayesian approach shows that, even in this case, the correct estimation of the Cole–Cole parameters using classical leastsquares methods is difficult. Finally, the Bayesian approach allows the delineation of ‘equivalent domains’ in the space of the model parameters, thus accounting for the uncertainty in the measurements. ACKNOWLEDGEMENT We are indebted to the ANR-CNRS-INSU-ECCO program (project Polaris II, 2005-2007) for supporting this work. We thank the referees and the editor for their useful comments. 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In this case, the chargeability m can be expressed as m = (1 + RB /RA )−1 (Fig. 1). Since RA and RB are both Jeffreys parameters, their ratio S = RB /RA is also a Jeffreys parameter. The homogeneous probability distribution (HPD) of m is given by a μ(m) = , (A1) m(1 − m) where a is a constant and m ∈ (0, 1). Alternatively, the chargeability can be written as C ⎧ ⎨ limω→0 ρ ≡ ρ0 ⎩ limω→+∞ ρ ≡ ρ∞ m=1− ρ∞ . ρ0 (A2) (A3) However, ρ∞ is not a Jeffreys parameter since, necessarily, we have ρ∞ ≤ ρ0 . However, the HPD of the normalized chargeability, m∗ = ρ∞ 1−m , = ρ0 − ρ∞ m (A4) a , m∗ (1 − m∗ ) (A5) is μ(m∗ ) = where a is a constant. The HPD of m∗ has the same form as the HPD of m. We look for an expression for the chargeability m satisfying the condition that μ(m ) is constant. If we write m = 1/(1 + S) where S is a Jeffreys parameter, this yields 1−m , (A6) μ S (S) = μ S m and 1−m , μ S (log S) = μlog S log m (A7) is a constant. If X is a Jeffreys parameter, 1/X is also a Jeffreys parameter. It follows that m μm log = a, (A8) 1−m where a is a constant. Therefore the transform, m , m = log 1−m is a suitable solution. 2007 European Association of Geoscientists & Engineers, Geophysical Prospecting, 55, 589–605 (A9)