Multi-Criteria-Optimisation and Desirability Indices Dipl.-Stat. Detlef Steuer Universitat Dortmund LS Computergestutzte Statistik steuer@amadeus.statistik.uni-dortmund.de March 1999 Abstract The basic ideas of Desirability functions and indices are introduced and compared to other methods of multivariate optimisation. It is shown, that gradient based techniques are not in general appropriate to perform the numerical optimisation for Desirability indices. The problems are shown for direct modelling of Desirability indices. An example is given to illustrate the sensitivity of estimated optimum factor settings to modelling errors for individual targets. Keywords: MCO, MCD, MCDA, Desirability Function, Desirability Index, dimension reduction, numerical optimisation. 1 Introduction When dealing with industrial production processes we often have to assess quality of products. It turns out, that often more than one measured variable or property has to be taken into account to describe "quality". Normally quality not only should be measured, but also tried to improve. The optimisation of quality will normally prove more dicult in the case of two or more competing properties. Often it is not possible to improve one of them without deteriorating one or more of the others. In the context of optimisation properties are also called "targets". A very common example can be found in the context of drug-design: A new pill has to ful l two, often contradictory, requirements. For example rstly it should be very well solvable in water, secondly it should not fall apart without 1 water. While experimenting, the designer realizes that improving solvability deteriorates durability. Solvability and durability here are two competing properties in drug-design. The problem with competing properties shows up, if there exist two designs, one with better solvability, the other with better durability. It becomes impossible to rank these alternatives without knowledge about the relative importance of the variables. Weights of some kind have to be introduced. The described situation of multiple, partly contradictory objectives in op- timisation is the starting point of a branch of Operations Research (OR), called Multi-Criteria-Optimisation (MCO), Multi-Criteria-Decision-Making (MCD) or Multi-Criteria-Decision-Analysis (MCDA). It is clear, that prob- lems of this kind are not restricted to industrial production processes. They appear wherever the "value" of a "decision" is measured in more than one dimension. The word "product" will be used in this general interpretation throughout the paper. For this paper a product's multiple properties are assumed to be competing, i.e. they can not be optimised at the same time. Otherwise all problems would reduce to the one-dimensional case of optimisation, which is not of interest here. The aim of this work is to discuss some of the OR methods to handle the situation of multiple objectives from a statistical point of view, with stress on the so called desirability indices. In Section 2 the formal context of multiple objectives from a statistical point of view will be introduced, where the properties can not be set directly, as it is often assumed in OR (within some restricted area). Instead properties have to be understood as functions of some underlying controlled variables (factors) which must be approximated via statistical modelling. Section 3 presents mathematical and practical concepts for MCO. The concept of "de- sirability" is explained in Section 4. After that two examples for "desirability functions" used in practice are given in Sections 5 and 6. In Section 7 we show, that gradient based optimisation techniques are unsuitable for the presented optimisation problem without further considerations. We discuss some aspects of modelling "desirability indices" in Section 8 and give a short conclusion in Section 9. 2 Formalism In this section the formal setting of this paper is de ned. The focus here lies on a vector P 2 IR Z , which is de ned by its coordi- nates Y i (P ) = p i ; i = 1 ; : : : ; Z. This vector P stands for a product with Z 2 properties, which describe its quality. The properties Y i ; i = 1 ; : : : ; Z;are functions of a nite number of factors X 1 ; X 2 ; : : : ; X F and a stochastic error term . Therefore we get: P = 0 B B B @ Y 1 (P ) Y 2 (P ) . . . Y Z (P ) 1 C C C A with Y i (P ) = f i (X 1 ; : : : ; X F ;  ); i= 1 ; : : : ; Z: This formula deserves some remarks: First the same set of factors is used for all properties in this formula. This is not a restriction, if we allow them to be purely formal parameters of the f i . Second we note the error is not restricted to be additive! Under these assumptions the objective in MCO in this statistical context may be formulated as nding the setting X opt = ( X 1;opt ; : : : ; X F;opt ), for which the expectation E(Y 1 ; Y 2 ; : : : ; Y Z ) is "best"! Implicitly this calls for a ranking in IR F ; F > 1. As is well known, no such ranking exists. Therefore it can only be tried to get "close to a ranking" in some sense. In the following the basic concepts of multivariate ranking will be shown. 3 Mathematical concepts for MCO In this section mathematical concepts and problems for ranking multivariate observations will be presented. These considerations lead to requirements for practical MCO-procedures. 3.1 Domination A rst, very optimistic, approach to MCO is hoping for one "really best" object, which means an object that is better than all alternatives in every of the multiple targets. The idea of a ranking in IR Z is abandoned here. The problem of ranking IR Z is reduced to nding the "maximum" in a given set of alternatives using a coordinate wise "better" relation, symbolised here by \>". This concept is called domination and a formal de nition is given below: De nition 1 (Domination) Given two objects P 1;2 2 IR Z described by the same properties Y i (P ); i = 1 ; : : : ; Z, it is said, that P 1 dominates P 2 (P 1 >> P 2 ), if Y i1  Y i2 8 i = 1 ;2; : : : ; Z and Y j1 > Y j2 for one 1  j  Z. 3 At the same time the domination of factor settings has been induced as follows: De nition 2 (Domination in factor space) Given two settings X 1 re- sulting in product P 1 := E(P (X 1 )) and X 2 resulting in product P 2 := E(P (X 2 )) and the products described by the same properties as above, it is said, that X 1 dominates X 2 (X 1 >> X 2 ), if P 1 >> P 2 . Formally this is a nice and clean mathematical concept. For practical use it has an important drawback: There may not exist a dominating object. And worse, as Z increases, it becomes more and more unlikely for an object to dominate any other. 3.2 Pareto-Optimality Having seen the probable non-existence of solutions using domination, the less strict concept of "pareto-optimality" can be tried. It is de ned as follows: De nition 3 (Pareto-Optimality) Given a set M  IR Z of objects, an object P 2 M is called pareto-optimum, if there is no object Q 2 M with Q >> P . Or less formal: If an object can not be improved in the coordinate wise sense of domination, it is optimal in some way. Inversely, and perhaps more important: If an object is not pareto-optimum, it should not be considered as a solution of a MCO problem! Pareto-Optimality in factor space can be de ned analogous to domination in factor space (see de nition 2): A factor setting X is pareto-optimum in factor space, if the corresponding product P := E(X) is pareto-optimum in product-space. This leads to a rst strict requirement for a MCO procedure: Any proposed solution of a MCO problem must be pareto-optimal! While the problem with domination is the missing guarantee for nding a solution, the problem with pareto-optimality is -in general- the possibility of many solutions for the MCO. On the other hand the experimenter is looking for a unique, best solution, so it has to be decided among the proposed solutions. To accomplish a decision weights for the di erent targets must be introduced, representing their relative importance. The nal decision will be highly problem speci c. Thus a second requirement for MCO procedures is found: it has to be possible to take di erent importances of targets into account! 4 In a mathematical sense we are looking for a functional C : IR Z ! IR, which allows the ranking of all objects in IR in an appropriate, problem speci c way. 3.3 Approaches to MCO in OR A lot of heuristic methods for solving MCO problems have been developed in OR. The statistical properties of these algorithms often are not well known. This is not too surprising, as these algorithms were not introduced with focus on their statistical aspects. Instead they are constructed to generate solutions in practice. A short list of approaches symbolising di erent classes of MCO-solvers, could contain the following entries:  Pareto optimality, standing for the mathematical, not problem speci c approach,  overlay plots, a graphical method,  Prometee, representing the so called outranking procedures,  desirability functions and -indices, which will be presented in detail in this paper and  (monetary) loss functions, a member of the utility function class. Each of these entries has its speci c advantages and disadvantages. Pareto optimality has been considered in the section above. Overlay plots try to simultaneously look on contour plots of all targets. This method fails with more than three or four targets. Prometee uses pairwise comparison of all possible experimental results for constructing a (partial pre-) order among them. For each target Y a so called preference function P Y is de ned, that assigns a numerical value to the di erence of two experiments a and b in this target: P Y (a; b) = P Y (ab). An expert de ned weighted sum of these target preferences serves as \preference index" (a; b) for comparison of two exper- iments. The sum over all preference indices P b (a; b) is called the \positive outranking ow" for experiment a then. The sum P b (b; a) is called the \negative outranking ow" of experiment a. Based on these \ ows" a rank- ing of all experiments can be produced. Prometee as a MCO tool is very exible to use, but hard to interpret. Little is known about its robustness. For monetary loss functions there is a problem in their concreteness: It is in general not possible to specify them as exact as it would be required to really interpret them as money value. 5 A more detailed overview about these techniques can be found in [4]. Desir- ability functions will be explored in the next sections. 4 The Concept of Desirability In this section we will describe the basic concept of desirability for MCO. In the formal description of the MCO problem we nd Z di erent targets to be optimised. Translated to real world problems it means that up to Z di erent scales of measurement, i.e. times, lengths, weights and so on, have to be forced to be commensurable. Some of the existing heuristics try to ignore this problem. They assign a weight to each target and compare the weighted units. Desirability is di erent here. In a rst step every objective Y i ; i = 1 ; : : : ; Z gets translated by an individual, so called "desirability-function" into a unit- less desirability-scale. The step of de ning the desirability for every possible outcome of Y i obviously becomes crucial to the process of multivariate op- timisation. Naturally the statistician is unable to determine good or bad weights! A close collaboration of statistician and expert is very important when xing the desirability function for a target. Which are useful functions for using as desirability-functions d? First we can force them to take values in [0; 1]. The limitation to [0; 1] has a technical justi cation, which will become obviously later on. The most general de nition of a desirability function now is the following: De nition 4 (Desirability function) Any function d with d : Domain of Y ! [0; 1]; Y ,! d(Y ): is called desirability function (DF). Not all of these functions may usefully serve as DFs. To ful l the require- ments formulated in Section 3 it has to be required, that 1. d is exible enough to allow problem speci c formulations. It should be possible to give parameters LSL (lower speci cation limit), USL (upper speci cation limit), T (target value) and, if needed, possibly di erent weights l and r for deviations to the left respectively right of T . 2. For target value problems d should increase monotonically in (1; T ) and decrease monotonically in (T;1). This guarantees the pareto- optimality of any desirability-optimum solution of the optimisation problem! 6 Perhaps the last property requires a little proof: Lemma 1 (Proof: Desirability optimum points in factor space are pareto-optimum.) A desirability optimum X opt is a local optimum of the desirability-function over factor space. Assume X opt is not a pareto-optimum point. Then there exists Y opt in factor space, which gives a superior result and therefore higher desirability. Contradiction! 2 Concrete examples of DFs used in practice are given in Sections 5 and 6. After scaling all targets individually to a desirability scale, they have to be combined to a single number, the overall desirability or desirability index of the product P . The following gives the general formal de nition for a desirability index: De nition 5 (Desirability Index) A desirability index DI is a function D with D : [0 ;1] Z ! [0; 1]: The obvious idea for a concrete formulation of D is to use some kind of mean value. Often the geometric mean is used for D. It has the feature to assign a DI of 0, if any of the individual DFs is 0. This is nicely interpretable: If one of the product's properties is completely unacceptable, the product as a whole is unacceptable. The use of the geometric mean also gives justi - cation for choosing the interval [0; 1]. Individual desirabilities greater than 1 would allow to compensate shortcomings in some of the other properties. Nevertheless other function are used also. Of these the maximin DI is most important. It de nes D(P ) := max X min i=1;::: ;Z d i (X): This formulation can be nicely interpreted also: A product is only as good as it's worst property at the optimum factor setting. In the statistical context the desirability index D may now be represented as a function of the factors X i1 ; : : : ; X iF and the unknown errors  i ; i = 1 ; : : : ; Z. D(P ) := D(d i (Y i ) i=1;::: ;Z ) = D(d i (f i (X i1 ; X i2 ; : : : ; X iF ;  i )) i=1;::: ;Z ) Each factor setting is evaluated by a number D 2 IR. The canonical ranking in IR induces a ranking in IR Z and the "best" factor setting can easily be 7 identi ed. As a result the multi objective optimisation problem has been turned into a response surface problem. In literature about applications of DFs the most common forms of DFs are those of Harrington and Derringer/Suich. Both will be presented here with their formulation of desirability functions and indices for target value prob- lems. 5 Desirability Function I The concept and the name "desirability" were introduced by Edwin C. Har- rington Jr. ([3]) in 1965. For DFs Harrington used the following exponentials to handle target value problems: d H (Y ) := e jY 0 j n ; where Y 0 is an appropriate transformation of Y: (1) Appropriate in the sense of Harrington is to choose Y 0 in a way, so that d H (LSL) = d H (USL) = 1 =e. As a possible transformation he gives Y 0 = 2Y (USL + LSL) USL LSL : De ned this way d H (Y ) is symmetric around the centre between LSL and USL. The parameter n serves as an "deviation importance" parameter. Large values of n result in at curves around the centre, thus punishing deviations from the centre less hard than low values of n. Figure 1 shows two typical DFs of this type, with parameters n = 4 and n = 1. For combining all d H i ; i = 1 ;2; : : : ; Z Harrington preferred the geometric mean. Written as a function in Y i ; i = 1 ;2; : : : ; Z and nally in X j ; j = 1; 2; : : : ; F we get the DI of Harrington as: D H (P ) := Z v u u t Z Y 1 d H i (Y i ) = Z v u u t Z Y 1 d H i (f i (X 1 ; X 2 ; : : : ; X F ;  i )): For optimisation purposes the Z-th root is unimportant, however for com- paring the overall desirability with the per target desirabilities it is essential. Harrington developed his DF with interpretation of the result in mind. In his paper he even gave a scale for interpretation to use with his index. He proposes to interpret 8 Figure 1: Desirability functions of Harrington-type for two di erent values of n specification de sir ab ilit y 0. 0 0. 2 0. 4 0. 6 0. 8 1. 0 LSL USL n=4 n=1 Desirability functions of Harrington-type de sir ab ilit y 1/e  desirability 1 as "ultimate satisfaction" or "improvement beyond this point has no value";  desirability 0:8 1 as "excellent" or "well beyond anything available";  desirability 0:630:8 as "good" or "slight improvement over industrial quality";  desirability 0:4 0:63 as "acceptable, but poor";  desirability 0:3 0:4 as "borderline";  desirability 0 0:3 as "unacceptable to completely unacceptable". There are some disadvantages to Harrington's approach. The DFs are not too exible, as for example they are always symmetric. Furthermore Harrington has to use di erent exponential functions for maximisation (minimisation) problems, thus hardening the comparability of multiple desirabilities. 9 On the other hand his functions have a big plus for being given in closed form and being di erentiable. 6 Desirability Function II Derringer and Suich de ned a new class of desirability functions in [2] to gain exibility for modelling the importance of individual targets. Their de nition of a desirability function for target value problems is given below: d DS (Y ) := 8 > > > < > > > > : 0; for Y < LSL ( Y LSL T LSL ) l ; for LSL  Y  T ( USL Y USL T ) r ; for T < Y  USL 0; for USL < Y The parameters l and r are weights for deviations to the left respectively to the right from the target. Values near 0 mean unimportant deviations, while high values stand for very important targets. In gure 2 characteristic desirability functions have been plotted, to show the exibility of this new DF class. For constructing the DI Derringer/Suich also propose the geometric mean. Mini- or maximisation problems can be handled consistently by using only one branch of d DS . In this case T de nes a value for which all lower (higher) values are accepted as "perfect", thus giving desirability 1. Besides the possi- bility to model asymmetry herein lays the main advantage of Derringer/Suich type functions over those of Harrington type. Furthermore it is straightfor- ward to generalise these functions to more than two segments. However, they could not get the desired exibility for no price: the closed form of the DFs had to be changed to a piecewise de nition. On the plus side we nd unacceptable target values having desirability 0, thus giving overall desirability 0 if a single target is unacceptable. The parameters l and r are important for the optimisation step, so they have to be chosen carefully. Optically there seems to be an easy interpretation of the di erent values of l;r . In practice a doubled value of is told to give a doubled importance to deviations from the target value. Mathematically it is obvious that this simplicity is only a "rule of thumb" and has to be questioned. Due to the superior exibility of the Derringer/Suich function class Har- rington's approach could be discarded. But piecewise de nition with non- di erentiable points at interval borders lead to problems in analytical han- dling of the new DFs. 10 An implementation of Derringer/Suich desirabilities is found in STAVEX, a software package for design and analysis of experiments, developed at CIBA- GEIGY, Basel [5]. Figure 2: Desirability functions of Derringer/Suich type for two di erent values of l and r , asymmetric case. specification de sir ab ilit y 0. 0 0. 2 0. 4 0. 6 0. 8 1. 0 LSL Target USL βl = βr = 1 βl = 1 3 βr = 3 Desirability functions of Derringer/Suich type 7 Practical optimisation issues The main achievement using desirability indices has been the conversion of the original problem into a response surface problem. The founders of the DFs presented here wanted to use the well known optimisation techniques for response surfaces, mainly the gradient based ones. For this purpose the Derringer/Suich DFs had to be re ned to be di erentiable everywhere. That work was done by [1] by simply tting fourth degree polynomials around each non di erentiable point. In principle both types of DFs allow the usage of classical techniques for optimising a real-valued function. In literature those techniques were ap- plied without any further considerations. See for example [2] or [1]. This 11 behaviour by the scientists may have been supported by the apparently sim- ple structure of the DFs. Each DF has a single optimum, which seems to assure unimodality of the respective DI. Unfortunately this turns out to be an oversimpli cation. Figure 3: Desirability function of Derringer/Suich type for Y = X 2 +1; T = 0:5; LSL = 1; USL = 1; l = 1; r = 1 as function of factor X (1-dim) Desirability as funtion of factor space Factor Space X D es ira bi lity -2 -1 0 1 2 0. 0 0. 2 0. 4 0. 6 0. 8 1. 0 If considered as mappings from factor space into desirability scale DIs are not unimodal! Figure 3 gives the most simple example for bimodality of a DI as a function of a single controllable variable. In this special case the DF equals the DI, because only one target exists. As Figure 3 shows factor space can even fall apart in disjunct regions of possible desirability. Furthermore more than one local maximum may exist. It can easily be seen, that not all local maxima of a DI must be of same height, if more than one target is considered. As a consequence classical (gradient based) optimisation techniques may fail, if their starting point was not chosen very well. After looking at Figure 3 this is obvious, but it was not considered by many experts and was not mentioned in literature known to us. Before any gradient based technique can be applied 12 to optimise a DI, unimodality of the response surface has to be assured. Figure 4: Desirability function of Derringer/Suich type as a function of factor space (2-dim). Y = X 2 1 +X 2 2 , LSL=-1, T=0, USL=4, l = r = 1 2 . Desirability index as function of factor space de sir ab ilit y X1 X 2 1 An alternative approach to optimise DIs is used in STAVEX [5]. An exhaus- tive grid search is performed to nd the optimum settings. This approach is independent of unimodality of the response, but computing time restricts this approach to low dimensions of factor space. The cause for using grid search in STAVEX has been the non di erentiability of the Derringer/Suich DFs. A modern implementation should use a sophisticated search heuristic like simulated annealing for DI-optimisation in the case unimodality can not be assumed. To give an impression of the beauty and the possible complexity of even a single DF the example in Figure 4 is given. In there a DF of a single target is shown as a mapping from a two dimensional factor-space. As can 13 be seen all optimum points lie on a circle in factor space. All these points are equivalent with respect to desirability. There is no unique optimum. This shows the need of investigating the structure of possible optima of DIs in later work. Insights in this eld can lead to specialised search strategies for DI optimisation, therefore reducing the computing power that is needed in this process. 8 Aspects of modelling desirability indices A prerequisite for applying any of the techniques given above is the estimation of individual models ^ f i for the targets Y i ; i = 1 ; : : : ; Z. These ^ f i are inserted into the individual DFs to calculate the DI for every setting X needed in the optimisation step. 8.1 Direct modelling If the DIs can be estimated directly, an important decrease in computational complexity for solving the MCO can be expected. It is hoped, that not each of the X i which appear in any of the models for di erent targets will be important in a model for the DI, thus reducing the dimension of the rele- vant factor space. Nevertheless for both types of DIs mentioned the possible models come out to be very complicated, even if linear models for the Y i are assumed. As an example two targets Y i , each a linear function of two factors X 1;2 , an intercept i and an error  i ; i = 1 ;2, no interactions are used. In the Harrington case polynomials of high degree appear in the exponent of the DI: D H = q d H 1 (Y 1 )  d H 2 (Y 2 ) = (exp(j( 1 + 1;1 X 1 + 1;2 X 2 +  1 )j n 1 j( 2 + 2;1 X 2 + 2;2 X 2 +  2 )j n 2 )) 0:5 For the sake of simplicity it is assumed here that none of the two targets needs a further transformation, that is Y i = Y 0 i ; i = 1 ;2, which implies LSL=-1 and USL=1 for the Harrington case. Now it is clear that a model for log(D H ) representing \the truth" has to be of order max i (order(d H i (Y i ) n i )) in the most simple case. Furthermore the error terms will interact with the e ects if n i 6= 1. 14 Under the same assumptions the Derringer/Suich DI leads to models con- taining all interactions of the main e ects relevant for any of the Y i ; i = 1; 2; : : : ; Z. D DS = q d DS 1 (Y 1 )  d DS 2 (Y 2 ) = (( 1 + 1;1 X 1 + 1;2 X 2 +  1 )  ( 2 + 2;1 X 1 + 2;2 X 2 +  2 )) 0:5 In this latter case the most simple assumptions were made, too. Only one branch of the DF is considered for both targets, the exponents were set to unity. A model for (D DS ) 2 would have to be of order Q i (order(d i )). The usage of non-integer importance parameters l and r results in models of non-integer degrees. As a bottom line direct modelling of DIs does not seem to be an option. 8.2 Sensitivity to modelling errors: a simulation case study Another aspect, which has not found the attention it deserves, is the uncer- tainty in estimating the optimum factor setting X opt . To examine the e ect of estimating the underlying functions f i ; i = 1 ;2; : : : ; Z; with some error a simulation case study has been performed. In their paper Derringer and Suich use a set of chemical data to apply their DFs to. They have four targets Y 1 to Y 4 and three controllable variables X 1 to X 3 . The data were generated using a central-composite design with 20 ex- periments, to be able to t a second-order model ^ f i including all interactions to each of the four targets. Using their data they got the following models for the targets Y i : ^ f 1 = 139:1 + 16 :5X 1 + 17 :9X 2 + 10 :9X 3 4:0X 2 1 3:5X 2 2 1:6X 2 3 +5:1X 1 X 2 + 7 :1X 1 X 3 + 7 :9X 2 X 3 ; sd = 5 :6; ^ f 2 = 1261:1 + 268:2X 1 + 246:5X 2 + 139:5X 3 83:6X 2 1 124:8X 2 2 +199:2X 2 3 + 69 :4X 1 X 2 + 94 :1X 1 X 3 + 104:4X 2 X3; sd = 328:7; ^ f 3 = 400:4 99:7X 1 31:4X 2 73:9X 3 + 7 :9X 2 1 + 17 :3X 2 2 + 0 :4X 2 3 +8:8X 1 X 2 + 6 :3X 1 X 3 + 1 :3X 2 X 3 ; sd = 20 :6; ^ f 4 = 68 :9 1:4X 1 + 4 :3X 2 + 1 :6X 3 + 1 :6X 2 1 + 0 :1X 2 2 0:3X 2 3 1:6X 1 X 2 + 0 :1X 1 X 3 0:3X 2 X 3 ; sd = 1 :27: 15 Targets Y 1 and Y 2 are of the type \the more the better". Targets Y 3 and Y 4 are real target value problems. All DFs in the original paper were lin- ear. A numerical optimisation results in an optimum factor setting X DS opt = (0:05; 0:145;0:868) For a simulation these four estimated functions now worked as \known world". The experimental design Derringer and Suich performed was 1000 times re- peated in simulation, using the tted models ^ f i as known f i ; i = 1 ;2; 3; 4; and adding random errors according to the estimated standard deviations. Optimally the 1000 simulated optima ^ X Opt should scatter around the "true" X DS Opt , giving overall desirabilities near the optimum desirability. Unfortu- nately this is not the case for the Derringer/Suich data! The result of the simulations can be assessed best looking at Figure 5. We nd the expected scatter around the "true" optimum X DS Opt in each of the two-dimensional projections, but circa 5% of the ^ X Opt show up far away from X Opt . A closer look reveals, that many of these points predicted as optima give an overall desirability of 0, if evaluated with the known, true desirabilities! These points are marked with crosses in Figure 5. The cause for this phenomenon lies in the big standard deviation of target Y 2 . This results in poorly estimated ^ f 2 in simulations and from time to time this results in a qualitatively di erent response surface for the DI, giving nonsense optima. 9 Conclusion Desirability is a concept for solving MCO based on rescaling and weighting individual targets. For assigning the weights a strong collaboration between the statistician and the expert is a must! Direct modelling of the DI does not seem to be useful for reducing dimension of relevant factor space. The unsatisfying results in the simulation study will lead to research con- cerning the interaction of estimating relations f i , setting lower and upper bounds for poorly tted targets and the sensitivity of the prognoses of X Opt . It is hoped to nd hints how DIs can be turned into self-diagnostic tools, identifying critical targets or factors and those reducing their sensitivity. 16 References [1] E. del Castillo, D.C. Montgomery, and D. R. McCarville. Modi ed desir- ability functions for multiple response optimization. Journal of Quality Technology, 28(3):337{344, July 1996. [2] G. Derringer and R. Suich. Simultaneous optimization of several response variables. Journal of Quality Technology, 12(4):214{219, 1980. [3] E.C. Harrington Jr. The desirability function. Industrial Quaily Control, 21(10):494{498, 1965. [4] M.M.W.B. Hendriks, J. H. de Boer, A.K. Smilde, and D.A. Doornbos. Multicriteria decision making. Chemometrics and intelligent laboratory sytems, (16):175{191, 1992. [5] W. Seewald and C. Weihs. STAVEX User Manual. CIBA-GEIGY Ltd., 4.100 edition, 1995. 17 Figure 5: Simulated optima for Derringer/Suich data as input model. The crossing dashed lines give the analytically correct optimum. 0 2 4 6 0 1 2 3 4 5 6 Two-dimensional projections of 1000 estimated optima Factor 1 F a c to r 2 XXX X X X XX X X X X X X X X X X X X X X X X X X X XX X X X X X X X ++ ++ ++ ++ + + + + + + + + +++ + +++ +++ + + + + + +++ + + ++ + + + ++ + + ++ + + + + ++ ++ ++ +++ + ++ + + + + ++ + + + + + + + + + + ++ + ++ + + + + + + ++++++ + + ++ + ++ + + + + + + +++ + + + ++ + + + + + + ++ + + + + + + ++ + ++ ++ + + + + + ++ ++ + ++ ++ + + + ++ + + + ++ + + ++ + ++ + + + +++ + + + +++ + + + + + + + + + + + + + + + + + + + +++ + + + ++ + ++ + ++ + ++ + + + + + + + + + + ++ + + + + + + + + ++ + + + + ++ + ++ + ++ + + + + + + + + + + + + 0 2 4 6 - 4 - 3 - 2 - 1 0 1 Factor 1 F a c to r 3 + + ++ + + ++ +++ + + + + ++ + + + + + + + + + + ++ + + + ++ ++ + ++ + + + + + + + ++ + + ++ ++ + + + ++ + + + + + + + ++ ++ + + ++ + + ++ ++ + ++ + + + + + ++ + + + + ++ + + + + + + ++ + + + + ++ + + ++ + + + + + ++ + + + + + + + + + + + + + + + + + + + + ++ + ++ + + + + + + + + ++ +++ ++ ++ + + + + + + + + + + + + + + ++ ++ + + + + + + + + + + + + + ++ + + + + + + + + + + + ++ ++ + + + ++ + + +++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + ++ + + + ++ + ++ ++ + + + + + + + + + + + + + + + + + X X X X X X XX X X X X X X X X X X XX X X X X X XX X X X X X X X X X X 0 1 2 3 4 5 6 - 4 - 3 - 2 - 1 0 1 Factor 2 F a c to r 3 X X X X X X X X X X X X X X X XX X XX X X X X X X X X X X X X X X X X+ + + ++ + + + + ++ + ++ ++ + + + ++ ++ + + + + + + + + + + + + + + + + + ++ ++++ ++ + + + + + ++ + + + + +++ ++ + + ++ + + + + ++ + + + ++ ++ + + + ++ + + + + + + + + ++ + + + + ++ +++ + + + + + ++ + + ++ + + + + + + + +++ +++ + + ++ + + + + + + + + + + + + + + + + + + + + ++ + + + + +++ + + + + + + +++ + + + + + + ++ ++ + + + + + ++ + + + + ++ + + + + + + + + + + + ++ + + +++ +++ ++ + + + ++ + + + + +++ + ++ + +++ + + + + + + + ++ + + + + + + + + + + +++ + + + + + ++ + + + + + + ++ + + + + + + + + + + ++ + + ++ + + ++ + ++ ++ + + + + + + + + + + + + + + ++ ++ + + ++ + + + ++ + + + + ++ ++ + + + + + + ++ ++ + ++ + + + + + + + + + + + + ++ + + + + + ++ + + + + + + + + + + + + ++ + + + + + + + ++ + + + + + + + + 18