Theoretical Foundations of the Seven Methods
First, let us assume that an adequate data set and a tool (mathematical model) making it possible to calculate the quantities to be found is available. To generalize, let us adopt a matrix notation as a more convenient form, with treating the set of input data as a data vector and the set of calculation results as a result vector:
$$\varvec{y} = \varvec{f}(\varvec{x})$$
(1)
where x = [x1, x2, …, xm]T—data vector, known; y = [y1, y2, …, yn]T—result vector, to be found; f = [f1, f2, …, fn]T—functional vector, describing the relation between x and y (a mathematical model).
Let us assume that the uncertainties of the input data are also known:
Δx = [Δx1, Δx2, …, Δxm]T—vector of uncertainty of the estimation of vector components.
The following vectors are to be found:
y = [y1, y2, …, yn]T and Δy = [Δy1, Δy2, …, Δyn]T; the latter is the vector of absolute uncertainty of the estimation of vector y components.
When the absolute uncertainty is normalized in relation to the nominal value, a relative uncertainty is obtained:
$$\varvec{\Delta} x_{rel} = [\varDelta x_{1} /x_{1} ,\varDelta x_{2} /x_{2} , \ldots ,\varDelta x_{m} /x_{m} ]^{T} \;{\text{and}}\;\varDelta y_{rel} = [\varDelta y_{1} /y_{1} ,\varDelta y_{2} /y_{2} , \ldots ,\varDelta y_{n} /y_{n} ]^{T}$$
(2)
In the measurement uncertainty theory, two basic approaches are discerned, where the uncertainty is determined with using:
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a deterministic model, also referred to as “interval model”, where the notion of probability is not involved and the uncertainty value (Δyi, i = 1, …, n) having been determined is the uncertainty bound (maximum);
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a probabilistic (or statistical) model, where the result (yi, i = 1, …, n) is intrinsically a random variable and its uncertainty is measured by the dispersion of its distribution; in most cases, the parameters used as measures are standard deviation (“standard uncertainty”) or its multiple (“expanded uncertainty”).
In four sub-items below, deterministic methods will be presented, i.e. upper and lower bounds method (or extreme values method—EVM), first-order and second-order total differential method (TDM and TDM2, respectively), and finite-difference method (FDM); three probabilistic methods, i.e. Gauss method (PrM), method based on the description of stochastic processes (PrStM), and Monte-Carlo method (MCM), will be described in the next sub-items.
Description of the Seven Methods
Upper and Lower Bounds Method (EVM)
In the upper and lower bounds method (or extreme values method), an assumption is made that the value of the quantity to be found, i.e. the value of a component of vector y, lies between the minimum and maximum values obtained by substitution of the minimum and maximum values of vector x components.
$${\mathbf{y}}_{{\min} } /{\mathbf{y}}_{{\max} } = {\mathbf{f}}\left( {{\mathbf{x}}_{{\min} /{\max} } } \right)$$
(3)
where xmin = [x1min, x2min, …, xmmin]T, xmax = [x1max, x2max, …, xmmax]T (e.g.: xjmin = xj − Δxj, xjmax = xj + Δxj, j = 1, …, m).
A measure of the uncertainty of the quantity y to be found is the difference:
$$\varvec{\Delta y} = \left| {\varvec{y}_{{\rm max}} - {\varvec{y}}_{{\rm min}} ,} \right|\;\;{\text{or, better, a half of it, i.e.:}}\;\varvec{\Delta} y = \left| {\varvec{y}_{{\rm max}} - {\varvec{y}}_{{\rm min}} ,} \right|/2$$
(4)
A graphic interpretation of the uncertainty determined by means of the extreme values method has been shown in Fig. 2, based on an example with a function of a single variable.
An important assumption made in this method is the requirement of monotonicity of function yi= fi(xj) on the interval of vector x component values under analysis (this is a prerequisite for the truth of the statement about the extreme values of vector y components at the ends of the intervals defined by the xmin/max values). Depending on the monotonicity type, yimin/max will be treated as a function of xjmin or xjmax:
$$\frac{{\partial y_{i} }}{{\partial x_{j} }} > 0 \, \Rightarrow y_{i {\rm min}/{\rm max}} = f_{i} \left( {x_{j{\min} /{\max} } } \right)$$
(5)
$$\frac{{\partial y_{i} }}{{\partial x_{j} }} < 0 \Rightarrow y_{i \min/\max} = f_{i} \left( {x_{j{\max} /{\min} } } \right)$$
(6)
If the function yi= fi(xj) is not monotonic on the intervals defined by the xmin/max values, local extremums must be identified for the ymin/ymax extreme values to be determined.
Total Differential Method (TDM)
Here, the nominal values of vector x components (x(0)= [x1(0), x2(0), …, xm(0)]T) and the Δx uncertainty values (Δx = [Δx1, Δx2, …, Δxm]T) are known. The y = [y1, y2, …, yn]T values to be found are directly defined by Eq. (1) for the set of nominal x(0) values.
In the total differential method, the uncertainty of determining vector y components can be found by using the notion of first-order sensitivity coefficient and the total differential:
$$\Delta y_{i} = \sum\limits_{j = 1}^{m} {\left| {W_{ij} \cdot \Delta x_{j} } \right|} \;\;{\text{where}}\;W_{ij} = \left. {\frac{{\partial y_{i} }}{{\partial x_{j} }}} \right|_{{x_{j} = x_{j(0)} }} ,\quad i = 1, \ldots ,n$$
(7)
In the matrix notation, this may be written as follows:
$${\mathbf{\Delta y}} = {\mathbf{W}} \cdot {\mathbf{\Delta x}} = \left[ {\begin{array}{*{20}c} {\left| {W_{11} } \right|} & \cdots & {\left| {W_{1m} } \right|} \\ \vdots & \ddots & \vdots \\ {\left| {W_{n1} } \right|} & \cdots & {\left| {W_{nm} } \right|} \\ \end{array} } \right] \cdot \left[ {\begin{array}{*{20}c} {\Delta x_{1} } \\ \vdots \\ {\Delta x_{m} } \\ \end{array} } \right]$$
(8)
A graphic interpretation of the uncertainty determined by means of the total differential method has been illustrated in Fig. 3. It should be noted that in this method, the uncertainty is determined by linearization of function fi(x1, …, xm), i = 1, …, n.
The uncertainty vector Δy = [Δy1, Δy2, …, Δyn]T defines the maximum values of errors in estimating vector y components, i.e. the uncertainty bound. For linear models yi= fi(xj), this method becomes identical with the extreme values method.
This method is convenient, but it only produces good results when relations fi(xj) are characterized by relatively small changes in the sensitivity coefficient Wij in the interval xj±Δ xj under interest. Its basic good point is the fact that it directly includes elements of sensitivity analysis, which makes it possible to identify the parameters whose impact on calculation results is more or less considerable.
One of the weak points of determining the uncertainty with the use of formulas (7) or (8) may be the unreasonably “extended” uncertainty range, hindering its practical use in estimating the uncertainty (this will be demonstrated in a calculation example; however, the same may be said about the EVM). This applies in particular to the situations where many data xj are burdened with uncertainty and the “effects” of individual uncertainties (formulas (7) or (8)) are summed up due to the nature of the method. As mentioned previously, this method determines the uncertainty bound if an assumption is made that the situation where all the data take the values at the ends of their intervals can occur with a probability identical to that of any other situation. In practice, such a case is hardly realistic. Therefore, to determine the uncertainty by this method, a procedure is sometimes run that is similar to that adopted for complex measurement uncertainties and a statistical model. In such a case, the uncertainty is assumed as a vector sum of uncertainty components and this is a “combined standard uncertainty” determined in accordance with the “law of propagation of uncertainty” (also referred to as “uncertainty propagation rule”) [8, 16]:
$$\Delta y_{i} = \sqrt {\sum\limits_{j = 1}^{m} {\left( {W_{ij} \cdot \Delta x_{j} } \right)^{2} } }$$
(9)
Sometimes, the uncertainty thus determined is called “mean square uncertainty”, e.g. in [26]. To differentiate, the uncertainty defined by (7) or (8) will be denoted here by TDMM (“maximum uncertainty” or “uncertainty bound”) while that defined by (9) will be denoted by TDMS (“mean square uncertainty”).
Higher-Order Total Differential Method (TDM2)
In the classic total differential method described above, the function y = f(x) is linearized. In the case of non-linear relations, when considerable changes in the sensitivity coefficient Wij occur in the interval xj±Δ xj under interest (at a significant non-linearity), the uncertainty determined will be burdened with an error (cf. Figs. 2 and 3).
Formulas (7) and (8) may be derived by expanding the function y = f(x) into a Taylor series:
$$\begin{aligned} & f_{i} (x_{1} + \Delta x_{1} ,x_{2} + \Delta x_{2} , \ldots ,x_{m} + \Delta x_{m} ) = f_{i} (x_{1} ,x_{2} , \ldots ,x_{m} ) + \frac{{\partial f_{i} }}{{\partial x_{1} }}\Delta x_{1} + \frac{{\partial f_{i} }}{{\partial x_{2} }}\Delta x_{2} + \cdots + \frac{{\partial f_{i} }}{{\partial x_{m} }}\Delta x_{m} \\ & \quad + \frac{{\partial^{2} f_{i} }}{{\partial x_{1}^{2} }} \cdot \frac{{\left( {\Delta x_{1} } \right)^{2} }}{2!} + \frac{{\partial^{2} f_{i} }}{{\partial x_{2}^{2} }} \cdot \frac{{\left( {\Delta x_{2} } \right)^{2} }}{2!} + \cdots + \frac{{\partial^{2} f_{i} }}{{\partial x_{m}^{2} }} \cdot \frac{{\left( {\Delta x_{m} } \right)^{2} }}{2!} \\ & \quad + 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{1} \partial x_{2} }} \cdot \frac{{\Delta x_{1} \Delta x_{2} }}{2!} + 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{1} \partial x_{3} }} \cdot \frac{{\Delta x_{1} \Delta x_{3} }}{2!} + \cdots + 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{1} \partial x_{m} }} \cdot \frac{{\Delta x_{1} \Delta x_{m} }}{2!} \\ & \quad + 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{2} \partial x_{3} }} \cdot \frac{{\Delta x_{2} \Delta x_{3} }}{2!} + \cdots + 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{2} \partial x_{m} }} \cdot \frac{{\Delta x_{2} \Delta x_{m} }}{2!} + \cdots 2 \cdot \frac{{\partial^{2} f_{i} }}{{\partial x_{m - 1} \partial x_{m} }} \cdot \frac{{\Delta x_{m - 1} \Delta x_{m} }}{2!} + \cdots \\ \end{aligned}$$
(10)
Hence, the following will be obtained:
$$\begin{aligned} \Delta y_{i} & = f_{i} (x_{1} + \Delta x_{1} ,x_{2} + \Delta x_{2} , \ldots ,x_{m} + \Delta x_{m} ) - f_{i} (x_{1} ,x_{2} , \ldots ,x_{m} ) \\ & = \sum\limits_{j = 1}^{m} {\frac{{\partial f_{i} }}{{\partial x_{j} }}\Delta x_{j} } + \frac{1}{2}\sum\limits_{j = 1}^{m} {\frac{{\partial^{2} f_{i} }}{{\partial x_{j}^{2} }} \cdot \left( {\Delta x_{j} } \right)^{2} } + \sum\limits_{\begin{subarray}{l} j = 1,k = 2 \\ k > j \end{subarray} }^{m} {\frac{{\partial^{2} f_{i} }}{{\partial x_{j} \partial x_{k} }} \cdot \Delta x_{j} \Delta x_{k} + \cdots } \\ \end{aligned}$$
(11)
If only the term with the first-order derivative is taken into account then, after absolute values are introduced to make individual equation terms independent of the sign of the derivative values, a relation described by formula (7) will be obtained. If the terms with the second-order derivatives are also taken into account then an equation defining the uncertainty by the second-order total differential method TDM2 will be formulated:
$$\Delta y_{i} = \sum\limits_{j = 1}^{m} {\left| {W_{ij} \cdot \Delta x_{j} } \right|} + \frac{1}{2}\sum\limits_{j = 1}^{m} {\left| {W_{ijj}^{(2)} \cdot \Delta x_{j}^{2} } \right|} + \sum\limits_{\begin{subarray}{l} j = 1,k = 2 \\ k > j \end{subarray} }^{m} {\left| {W_{ijk}^{(2)} \cdot \Delta x_{j} \cdot \Delta x_{k} } \right|}$$
(12)
where \(W_{ijk}^{(2)} = \left. {\frac{{\partial^{2} y_{i} }}{{\partial x_{j} \partial x_{k} }}} \right|_{{x_{j} = x_{j(0)} ,x_{k} = x_{k(0)} }}\), i = 1, …, n and j, k = 1, …, m.
Coefficients \(W_{ijk}^{(2)}\) are coefficients of the second-order sensitivity of the ith quantity to the jth and kth parameter. In qualitative terms, the difference between the TDM and TDM2 methods has been illustrated in Fig. 4. For linear models yi= fi(xj), this method becomes identical with the extreme values method and the first-order total differential method.
Equation (10) may also be used to derive formulas for determining uncertainty with taking into account the higher-order terms. However, this is of limited practical importance in real applications. For functions of multiple variables, the number of partial derivatives (sensitivity coefficients) becomes very big. As an example: two first-order and three second-order sensitivity coefficients have to be determined for a function of two variables, while for a function of six variables, the numbers of such coefficients will rise to 6 and 21, respectively (the number of the second-order coefficients will be equal to the number of 2-combination with repetitions on an m-element set). It should also be noted that if the uncertainty is determined by such a method with using total differentials of an order higher than 1 (one) then the uncertainty value obtained will always be raised and this will considerably reduce the usefulness of the said method.
Finite-Difference Method (FDM)
The finite-difference method of uncertainty calculation is in practice a simplified version of the total differential method. Here, the partial derivatives do not have to be determined in analytical form. As it is in the TDM case, the uncertainty formula is derived by expanding the function into a Taylor series (see Eq. 10), with the series being confined to first-order terms only. The partial derivative (sensitivity coefficient) values are estimated with using a difference quotient and replacing the derivative with the ratio of increments:
$$\frac{{\partial y_{i} }}{{\partial x_{j} }} \approx \frac{{\delta y_{i} }}{{\delta x_{j} }} = \frac{{f_{i} (x_{j} + \delta x_{j} ) - f_{i} (x_{j} )}}{{\delta x_{j} }}$$
(13)
where δxj—sufficiently small increment of the xj value; δyj—increment of the function value caused by δxj.
The uncertainty formula has a form similar to that of (7):
$$\Delta y_{i} = \sum\limits_{j = 1}^{m} {\left| {W_{ij}^{\delta } \cdot \Delta x_{j} } \right|} \;\;{\text{where}}\;W_{ij}^{\delta } = \left. {\frac{{\delta y_{i} }}{{\delta x_{j} }}} \right|_{{x_{j} = x_{j(0)} }} ,\quad i = 1, \ldots ,n$$
(14)
For linear models yi= fi(xj), this method intrinsically becomes identical with the methods presented previously.
Here, the option of determining the uncertainty as a vector sum of uncertainty components is also used, as it is in the TDM case:
$$\Delta y_{i} = \sqrt {\sum\limits_{j = 1}^{m} {\left( {W_{ij}^{\delta } \cdot \Delta x_{j} } \right)^{2} } }$$
(15)
The δxj value is arbitrarily selected (therefore, adequate experience of the person who runs the calculations would be welcome). It should be such that the partial derivative value could be satisfactorily approximated. According to [8], the δxj value should be initially assumed as about 0.01xj(0) and then gradually reduced, if necessary, until it no longer affects the uncertainty level Δyj obtained.
Gauss Probabilistic Method (PrM)
The uncertainty determination methods described above are categorized as deterministic. In such an approach, any combination of values xj falling into intervals xj(0) ±Δ xj, j = 1, …, m is considered as equally probable. In consequence, the uncertainty of calculations may be overestimated. To take into account the fact that some variants of such combinations (e.g. a situation that all the xj values would be at the ends of intervals xj(0)±Δ xj) may occur with a low probability, the probabilistic nature of the quantities under analysis should be regarded.
In the probabilistic methods, an assumption is made that the components of vector x: xj, j = 1, …, m are random variables with known probability distributions. In consequence, the components of vector y: yi, i = 1, …, n defined by a functional relation y = f(x) are also random variables and the probability distribution of vector x determines the distribution of vector y. However, the analytical determination of the latter when the numbers of components of vectors x and y exceed 2 and the functional vector f is non-linear is a complicated problem, solvable in some specific cases only. In the applications under consideration, therefore, it is justified to use a simplified method, which may be found in the literature items dealing with measurement uncertainty, including [16], or analyses of accident situations, such as [7] or [8], in the calculus of errors, such a method is referred to as “Gauss method” or just “statistical method”.
The said method is based on the following assumption: if the quantity to be found is a function of vector x: y = f(x) and the components of vector x: xj, j = 1, …, m are described as independent random variables with normal probability distribution \(N_{xj} (\bar{x}_{j} ,\sigma_{xj} )\), where \(\bar{x}\) is the mean value and \(\sigma_{x}\) is the standard deviation, then yi, i = 1, …, n is a random variable with normal probability distribution \(N_{yi} (\bar{y}_{i} ,\sigma_{yi} )\) and the mean value \(\bar{y}_{i}\) is a function of the mean values of vector x components:
$$\bar{y}_{i} = f_{i} (\bar{x}_{1} ,\bar{x}_{2} , \ldots ,\bar{x}_{m} ),\quad i = 1, \ldots ,n$$
(16)
The standard deviation \(\sigma_{yi}\) may be expressed by the following formula (identical with the formula of combined standard uncertainty [16]:
$$\sigma_{yi} = \sqrt {\sum\limits_{j = 1}^{m} {\left( {\frac{{\partial y_{i} }}{{\partial x_{j} }} \cdot \sigma_{xj} } \right)^{2} } } \quad {\text{for}}\;x_{j} = \bar{x}_{j}$$
(17)
The uncertainty of the quantity to be found may be determined for any confidence level.
Method Based on the Description of stochastic processes (PrStM)
This method is a generalization of the PrM method. It may be employed when the mathematical model is explicitly dependent on time. In general terms, such a model is a system of differential equations having the following general form:
$${\dot{\mathbf{y}}} = {\mathbf{F}}({\mathbf{y}},t)$$
(18)
where y = [y1, y2, y3, …, yn]T—vector of state coordinates; F = [f1, f2, f3, …, fn]T—functional vector.
When stochastic processes are introduced to the model, Eq. (18) may take a general form:
$${\dot{\mathbf{y}}} = {\mathbf{F}}({\mathbf{y}},t) + {\mathbf{G}}({\mathbf{y}},t) \cdot {\mathbf{X}}_{t}$$
(19)
where \({\mathbf{G}} = \left[ {\begin{array}{*{20}c} {g_{11} } & \cdots & {g_{1m} } \\ \vdots & \ddots & \vdots \\ {g_{n1} } & \cdots & {g_{nm} } \\ \end{array} } \right]\), gij= gi(yj,t) and Xt= [Xt1, Xt2, Xt3, …, Xtm]T—vector of an m-dimensional stochastic process.
The equation solving methods depend on the equation form and the nature of the stochastic processes. A good point of the approach presented is the fact that the results are obtained in the form of complete probabilistic characteristics of the parameters sought, determined for any instant that may be freely chosen. On the other hand, the difficulty of obtaining an analytical solution makes a serious limitation; significant simplifications (linearization methods, simplifications of the nature of the stochastic processes) are often indispensable even for models that are not very complicated. A necessity also arises to determine characteristics of the stochastic process. In the case of processes compatible with the correlation theory of stochastic processes, the function describing the expected value and the correlation function should be known, while the latter is generally very difficult to be determined. Therefore, the applications of this method to the problems under consideration are very restricted (nevertheless, an example application will be presented in Sect. 4).
Monte-Carlo Method (MCM)
The Monte-Carlo technique is now one of the most powerful computing tools used in analyses of the phenomena and processes that cannot be described by analytical models due to their complexity. It works very well especially in the computational problems where random phenomena should be taken into account. In general terms, its essence lies in repeating an experiment many times with test parameter values being changed at random within a range defined by the specific type of the experiment and the phenomenon examined. Due to the iterative nature of this technique, it is counted among simulation methods. For this reason, the term “Monte-Carlo simulation” can often be found in the literature (see e.g. [8, 9, 26]).
For the issues in question, this method makes it possible to find the probability distributions sought, with using a model predetermined as a function y = f(x), representing the phenomenon under analysis. The components of vector x: xj, j = 1, …, m are assumed to be random variables with known characteristics (determined theoretically or empirically).
The random variables yi, i = 1, …, n are determined by multiple numerical calculations made according to the predetermined relation y = f(x) for computer-generated pseudorandom numbers xj in accordance with appropriate distributions of the specific quantities. This method may also be employed when simulation models are used. With this objective in view, multiple simulations are carried out for randomly generated values of individual model parameters. The possible range of solutions yi is obtained on the grounds of pseudorandom statistical distributions of variables yi, generated as described above. The uncertainty measures are the measures of dispersion of the statistical pseudo-distributions of yi, thus obtained.
This method makes it possible to avoid the difficulties mentioned in sub-items 3.2.5 and 3.2.6. A considerable impact on the correctness of the results obtained is exerted by the quality of the pseudorandom-number generators (measured by the finite quantity of numbers in the generator cycle). Noteworthy is also the fact that, in a degenerated form i.e. in calculations carried out only for the extreme values of xj distributions and at an assumption of monotonicity of yi= f(xj), this method is equivalent to the extreme values method (EVM).