## Pattern Search Ranking and Selection Algorithms

numeric values to represent categorical variables (e.g., 1 = FIFO, 2 = LIFO, ... Methods for discrete problems include those related to simulated annealing.

Mathematical Programming manuscript No. (will be inserted by the editor)

Todd A. Sriver · James W. Chrissis · Mark A. Abramson

Pattern Search Ranking and Selection Algorithms for Mixed Variable Stochastic Optimization Received: date / Revised version: date Abstract. The class of generalized pattern search (GPS) algorithms for mixed variable optimization is extended to problems with stochastic objective functions, by augmenting it with ranking and selection (R&S). Asymptotic convergence for the algorithm is established, numerical issues are discussed, and performance of the algorithm is studied on a set of test problems.

Key words. pattern search algorithms – ranking and selection – mixed variables – stochastic optimization

1. Introduction We consider the optimization of a stochastic system in which the objective is to minimize some performance measure that is subject to random variation. The system is of sufficient complexity so that no information of the underlying performance measure function is available and therefore cannot be evaluated in a closed form but must be estimated, for example, via “black-box” simulation. Examples of these simulation optimization problems can be found in a variety of applications, including the modeling and design of stochastic manufacturing systems, production-inventory situations, communication or infrastructure networks, logistics system support, and airline operations. The class of problems we target is further complicated by variables that may be either continuous or categorical, the latter of which must take their value from a predefined list or set, which may not even be numeric. For example, a stochastic communication network containing a buffer queue at each router may include a categorical design variable for queue discipline (e.g., first-in-firstout (FIFO), last-in-first-out (LIFO), or priority) at each router. We can use numeric values to represent categorical variables (e.g., 1 = FIFO, 2 = LIFO, The views expressed in this article are those of the authors and do not reflect the official policy or position of the United States Air Force, the Department of Defense, or the United States Government. T. A. Sriver: Air Force Personnel Operations Agency, 1235 Jefferson Davis Highway, Suite 101 Arlington, VA 22202, e-mail: [email protected] J. W. Chrissis: Department of Operational Sciences, Air Force Institute of Technology, 2950 Hobson Way Wright-Patterson AFB, OH, 45433 USA, e-mail: [email protected] M. A. Abramson: Department of Mathematics and Statistics, Air Force Institute of Technology, e-mail: [email protected]

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and 3 = priority), but the values do not conform to the inherent ordering that the numerical values suggest. The class of optimization problems that includes continuous and categorical variables is known as mixed variable programming (MVP) . Given a mixed variable domain Θ and a probability space (Ω, F, P ) with sample space Ω, sigma-field F and probability measure P , the stochastic output is modeled as an unknown response function F : Θ × Ω → R which depends upon a vector x ∈ Θ of controllable design variables and a vector ω ∈ Ω that represents random system effects. The objective function f : Θ → R is the long-run expected performance of the system, given by Z f (x) = EP [F (x, ω)] = F (x, ω)P (dω). (1) Ω

More specifically, we consider the class of stochastic MVP problems, for which the continuous variables are subject to bound and linear constraints; namely, min f (x), x∈Θ

(2)

where Θ is partitioned into continuous and discrete domains Θc and Θd , respectively. A solution x ∈ Θ is denoted as x = (xc , xd ), where xc ∈ Θc is the vector of continuous variables of dimension nc , and xd ∈ Θd is the vector of discrete variables of dimension nd . The domain of the continuous variables Θc can be c c c c expressed by Θc = {xc ∈ Rn : ` ≤ Axc ≤ u}, where A ∈ Rm ×n , `, u ∈ Rm , d and ` < u. The domain of the discrete variables Θd ⊆ Zn , which may include d categorical variables, is represented as a subset of Zn by mapping each categorical variable value to an integer value (but without taking on any metric associated with integers). Furthermore, since f is of unknown analytical form, it is estimated via Monte Carlo samples of F obtained from a representative model of the stochastic system. Relaxation techniques commonly used to solve mixed integer problems, such as branch-and-bound, are not applicable to MVP problems because the objective and response functions are defined only at the discrete settings of the categorical variables; therefore, relaxing the “discreteness” of these variables is not possible. Small numbers of categorical variables can sometimes be treated by exhaustive enumeration, which results in more global solutions, but this approach quickly becomes computationally prohibitive for even moderately-size problems. Audet and Dennis  introduce a convergent pattern search algorithm for solving MVP problems, which is applied in  to the design of a thermal insulation system. Lucidi et al.  present a more general framework for solving MVP problems by replacing pattern search with an unspecified continuous search procedure that satisfies certain properties (see also ). However, other than an extension of  to MVP problems with nonlinear constraints , this represents the entire body of literature on this fairly new class of MVP problems. Thus we are motivated by the need to rigorously solve mixed variable simulation optimization problems. Presently, the predominant methods that provide some assurances of convergence are applicable to search domains that are either

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entirely continuous or entirely discrete. For continuous problems, approaches with more rigorous convergence analyses primarily include stochastic approximation (SA) [20,27,36] and derivative-free variants of SA that use finite differences or simultaneous perturbations . A comprehensive treatment can be found in . Methods for discrete problems include those related to simulated annealing [5, 6] and other random search approaches, in which case, convergence analyses typically rely on modeling the problem as a discrete-time Markov chain. If the number of alternatives in the discrete domain is small enough (≤ 20, for example), ranking and selection (R&S) statistical procedures may be used to select the best of all designs. Of particular interest is the so-called indifference zone R&S approach, which guarantees correct selection of the best design with some user-specified probability if it is at least a user-specified amount better than all others. Bechhofer  introduced R&S for a set of system designs with unknown true response means and a known, common response variance across all designs. Dudewicz and Dalal  and Rinott  extended the approach to problems with unknown and unequal response variances. Recently, R&S procedures have been used in an iterative fashion by coupling them with search strategies to enable search of a possibly large solution domain [4, 13, 32, 34]. In this paper, we present and analyze a class of algorithms for optimization of stochastic systems with mixed variables and linear constraints on the continuous variables. The method extends the class of mixed variable generalized pattern search (GPS) algorithms [1,7] to stochastic response functions by employing an R&S procedure in the selection of new iterates as a means of controlling statistical error. We should note that pattern search methods have not historically been targeted toward large-scale problems, consistent with other pattern search algorithms, the one presented here is not expected to perform efficiently on problems with a large number of variables. This paper is organized as follows. In the next section, some basic definitions for mixed variable domains are provided, followed by descriptions of pattern search and R&S, respectively. In Section 3, we present and describe an algorithmic framework that combines pattern search with ranking and selection for a class of mixed variable stochastic optimization problems. In Section 4, under certain reasonable assumptions, we prove almost sure convergence of this class of algorithms to limit points that satisfy first-order necessary conditions for optimality. Computational issues are discussed in Section 5, including a study of performance of the algorithm on a set of test problems. Concluding remarks are given in Section 6.

2. Background 2.1. Mixed Variables Since categorical variables do not necessarily have an inherent ordering, we require notions of local optimality and stationarity in a mixed variable domain.

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We do this with respect to a set of discrete neighbors that must be defined in the context of the specific problem to be solved. For example, in , the optimization problem was to determine the optimal number and types of insulators in a thermal insulation system. In this case, given a design, a discrete neighbor was defined to be any design in which any one insulator was replaced by one of a different material, or a design in which the number of insulators was increased or decreased by one. The set of discrete neighbors is defined by a continuous set-valued function N : Θ → 2Θ , where 2Θ denotes the power set of Θ. The notation y ∈ N (x) means that the point y is a discrete neighbor of x. By convention, for each x ∈ Θ, x ∈ N (x) and N (x) is assumed to be finite. Although there is no metric assumed for categorical variables, convergence in a mixed variable domain is defined as one would expect: a sequence {xi } = {(xci , xdi )} ⊂ Θ converges to x = (xc , xd ) ∈ Θ if xci converges to xc (under the standard definition) and xdi = xd for all sufficiently large i. Continuity of the neighborhood function N at x = (xc , xd ) ∈ Θ is defined in the sense that the set N (xi ) converges to N (x); i.e., for any  > 0 and y in the set of neighbors N (x), there exists a yi ∈ N (xi ) such that yic belongs to the open ball B(y c , ε) and yid = y d for all sufficiently large i. The following definition is due to Audet and Dennis . Definition 1. A point x = (xc , xd ) ∈ Θ is a local minimizer of f with respect to the set of neighbors N (x) ⊂ Θ if there exists an  > 0 such that f (x) ≤ f (v) for all v in the set [ Θ∩ (B(y c , ε) × {y d }). (3) y∈N (x)

Note that this definition is stronger than simply requiring optimality with respect to the continuous variables and also with respect to discrete neighbors. It also requires the local minimizer to have a lower function value than any point in a neighborhood of each discrete neighbor. The following definition, which is similar in form to that of  for unconstrained problems, is implied but not formally stated in  and . The notation ∇c f represents the gradient of f with respect to the continuous variables while holding the discrete variables constant. Definition 2. The point x = (xc , xd ) ∈ Θ satisfies first-order necessary conditions for optimality if 1. (wc − xc )T ∇c f (x) ≥ 0 for every feasible (wc , xd ) ∈ Θ; 2. f (x) ≤ f (y) for every discrete neighbor y ∈ N (x) ⊂ Θ; 3. (wc − y c )T ∇c f (y) ≥ 0 for every discrete neighbor y ∈ N (x) satisfying f (y) = f (x) and for any feasible (wc , y d ) ∈ Θ. We show in Section 4.3 that, under reasonable assumptions, certain subsequences generated by the class of algorithms introduced in this paper converge with probability one (almost surely) to limit points satisfying Conditions 1–3 of Definition 2.

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2.2. Pattern search Pattern search is a subclass of direct search algorithms introduced and analyzed by Torczon  for unconstrained problems and extended by Lewis and Torczon to problems with bound constraints  and a finite number of linear constraints . In all three results, convergence of a subsequence of iterates to a limit point satisfying first-order necessary conditions is proved. Audet and Dennis generalized this work, adding a hierarchy of results that depend on the local smoothness of the objective function , and limited second-order convergence properties are proved in . Audet and Dennis also extended the work in  to bound-constrained MVP problems . Other notable extensions include those to NLP problems with general nonlinear constraints [9, 10,26], and MVP problems with nonlinear constraints . Pattern search methods are derivative-free, meaning that they do not use explicit or approximate derivatives. They are defined by a finite set of directions c c D that positively span the domain Rn . That is, any vector in Rn can be represented by a nonnegative linear combination of directions in D . This construction is precisely what is needed to ensure that at least one vector in D must be a direction of descent . The set of directions and a step size parameter are used to construct a conceptual mesh centered about the current iterate (the incumbent). Trial points are selected from the mesh, evaluated, and compared to the incumbent to select the next iterate. If an improvement is found among the trial points, the iteration is declared successful and the mesh is retained or coarsened; otherwise, the mesh is refined and a new set of trial points is constructed. Proofs of convergence are based on showing that the step size parameter becomes arbitrarily small. Pattern search applied to stochastic optimization problems is rare. Ouali et al.  applied multiple repetitions of GPS directly to a stochastic simulation model to seek minimum cost maintenance policies where costs were estimated by the model. In a more rigorous approach, Trosset  extended pattern search using traditional statistical tools to deal with variation, the key drawback being that the number of function evaluations needed per iteration to assure convergence becomes very large. 2.2.1. Mixed Variable GPS. A GPS framework for MVP problems with bound constraints was developed by Audet and Dennis  and further extended to linear constraints (as well as to general nonlinear constraints and more general objective functions) in . For each unique combination i = 1, 2, . . . , imax of discrete variable values, a set of positive spanning directions Di is represented as a matrix, suchSthat d ∈ Di means that the direction d is a column of Di . imax Di . The positive spanning directions must satisfy the We denote D = i=1 restriction, Di = Gi Zi , (4) where Gi ∈ Rn ×n is a nonsingular generating matrix and Zi ∈ Zn ×|D | . The mesh at iteration k is then formed as the direct product of Θd with the union c

c

c

i

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of a finite number of lattices in Θc , i.e. Mk =

i[ max

Mki × Θd ,

i=1

Mki =

[

|D i |

c

{xc + ∆k Di z : z ∈ Z+ } ⊂ Rn ,

(5)

x∈Tk

where ∆k > 0 is the mesh size parameter, and Tk is the set of all previously evaluated trial points Tk (with T0 as the set of initial points). Audet and Dennis explicitly separate each iteration into two distinct steps, a search step and a poll step. The optional search step selects a finite number of trial points on the mesh Mk . This step contributes nothing to the convergence theory, but allows great flexibility in incorporating any desired heuristic to speed convergence. For example, common approaches include randomly selecting a space-filling set of points using a Latin hypercube design or orthogonal arrays, or applying a few iterations of a genetic algorithm. For computationally expensive functions, one common approach [14–16,30] is to construct and optimize a less expensive surrogate function on the mesh. If the search is unsuccessful, the poll step evaluates a subset of neighboring mesh points known as the poll set. Each point in this set must be evaluated before the iteration can be declared unsuccessful. Polling is conducted in up to three stages: polling with respect to the continuous variables, polling on a set of discrete neighbors, and extended polling around those discrete neighbors whose function value is sufficiently close to that of the incumbent. For polling with respect to the continuous variables, the poll set centered at x ∈ Tk is defined as Pk (x) = {x} ∪ {x + ∆k (d, 0) ∈ Θ : d ∈ Dk (x)} ⊂ Mk .

(6)

where Dk (x) ⊂ D is the set of positive spanning directions used at x, and (d, 0) denotes the partitioning into continuous and discrete variables with 0 indicating that the discrete variables remain unchanged, i.e., xk +∆k (d, 0) = (xck +∆k d, xdk ). Polling with respect to discrete variables requires a user-defined discrete set of neighbors at xk , denoted as N (xk ) ⊂ Mk , where N is the same set-valued function as previously defined. If the first two polling stages do not yield an improved solution, extended polling may be conducted in the continuous neighborhood about each point y in the set of neighbors N (xk ) for which the objective function satisfies the extended poll condition f (xk ) ≤ f (y) ≤ f (xk ) + ξk , for some user-specified extended poll trigger ξk ≥ ξ > 0 bounded away from zero. The rules for updating the mesh size, which allow convergence to be proved without a sufficient decrease condition, are given as follows. Given a fixed rational number τ > 1 and two integers m− ≤ 1 and m+ ≥ 0, the mesh size parameter ∆k is updated according to the rule, ∆k+1 = τ mk ∆k ,

(7)

where  mk ∈

{0, 1, . . . , m+ }, if an improved mesh point is found {m , m− + 1, . . . , −1}, otherwise. −

(8)

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2.2.2. Bound and Linear Constraints. In  and , Lewis and Torczon showed that, in order to ensure convergence to a stationary point in the presence of linear constraints, search directions used in pattern search must conform to the geometry of the constraints. Specifically, if the current iterate is within ε > 0 of a constraint boundary, the tangent cone K ◦ (x, ε) may be generated as the polar of the cone K(x, ε) of outward pointing normals for the constraints within ε of xk . Inclusion of the tangent cone generators in the set of directions used by pattern search is sufficient to preserve convergence properties of the algorithm. An algorithm for computing these directions in the absence of degeneracy is given in , while degeneracy is specifically addressed in . It should be noted that, since the target class of problems is restricted to a finite number of linear constraints, there are only a finite number of tangent cone generators for the entire feasible region, which prevents violation of the finiteness of the direction sets Di , i = 1, 2, . . . , imax . However, this would not hold in the presence of nonlinear constraints, which is why they are not treated in this paper. To simplify the convergence analysis in Section 4 and avoid reintroducing the method of Lewis and Torczon , the following more general definition from  is provided, and the construction and inclusion of tangent cone generators will be assumed. Definition 3. Let D be a positive spanning set in Rn . A rule for selecting the positive spanning sets Dk (xk ) ⊆ D conforms to the region Ψ ⊆ Rn for some ε > 0, if at each iteration k and for each y in the boundary of Ψ for which ky − xk k < ε, the tangent cone K ◦ (x, ε) is generated by nonnegative linear combinations of a subset of the elements of Dk (xk ). If directions are chosen at each iteration to conform to Θc for some ε > 0, then linear constraints can be treated with a simple “barrier” approach, in which any infeasible point is assigned an objective function value of +∞ without incurring the expense of actually evaluating the objective function value there.

2.3. Ranking and Selection (R&S) For problems with stochastic response functions, single-sample response comparisons required for traditional pattern search methods can result in erroneous decisions due to variation in the response. Alternative techniques for comparing trial points are necessary to ensure that the iterate selection decision accounts for variation and provides some statistical assurances of correct decisions. In , iterate selection via hypothesis testing is suggested in which a binary selection decision between the incumbent and candidate design is based on sufficient statistical evidence. We generalize this approach using R&S so that multiple candidates may be considered simultaneously at reasonable computational cost associated with the requisite sampling. Rather than generating precise estimates, R&S procedures detect the relative order of the candidate solutions, providing computational advantages over precise estimation.

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The mechanics of a generic indifference-zone R&S procedure are now briefly described so that this construct may be incorporated into the GPS algorithm in Section 3 (see  for a more detailed survey). Generally speaking, we denote by Xk the k-th element of a sequence of random vectors, and by xk a realization of Xk . Given a finite set of candidate points C = {Y1 , Y2 , . . . , YnC } with nC ≥ 2, let fq = f (Yq ) = E[F (Yq , ·)] denote the true mean of the response function F at Yq for each q = 1, 2, . . . , nC . The collection of these means can be ordered from minimum to maximum as, f ≤ f ≤ · · · ≤ f[nC ] ,

(9)

and the notation Y[q] ∈ C indicates the candidate from C with the q th best (lowest) true objective function value. In an indifference-zone R&S procedure, no distinction is made between two candidate points whose true means are within some δ > 0 of each other. That is, if the two best candidates satisfy f − f < δ, then the procedure is said to be indifferent in choosing Y or Y as the best. The probability of correct selection (CS) is defined in terms of the indifference zone parameter δ and the significance level α ∈ (0, 1), as  P {CS} = P select Y | f[q] − f ≥ δ; q = 2, 3, . . . , nC ≥ 1 − α.

(10)

Since P {CS} = n1C is guaranteed simply by choosing randomly from the alternatives, the significance level must satisfy 0 < α < 1 − n1C . Of course, true objective function values are not available in practice, so it is necessary to work with sample means of the response F . For each q = sq 1, 2, . . . , nC , let sq be the total number of replications and let {Fqs }s=1 = sq {F (Yqs , Wqs )}s=1 be the set of responses obtained via simulation, where Wqs are realizations of the random noise. Then for each q = 1, 2, . . . , nC , the sample mean F q is computed as, sq 1 X Fq = Fqs . sq s=1

(11)

These sample means may be ordered and indexed the same way as in (9). The notation Yˆ[q] ∈ C is used to denote the candidate with the q th best (lowest) estimated objective function value as determined by the R&S procedure. The candidate corresponding to the minimum mean response, Yˆ = arg(F  ), is chosen as the best point. To retain generality of the algorithm class of Section 3, we define Procedure RS(C, α, δ) in Figure 1 as a generic R&S procedure that takes as input a candidate set C, significance level α, and indifference zone parameter δ, and returns candidate Yˆ = arg(F  ) as the best. The technique used in Step 1 to determine the number of samples for each candidate is dependent on the specific R&S procedure. We discuss such a procedure in Section 5.1.

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Procedure RS(C, α, δ) Inputs: C = {Y1 , Y2 , . . . , YnC }, α ∈ (0, 1), δ > 0. Step 1: For each Yq ∈ C, use an appropriate statistical technique to determine the number of samples sq required to meet the probability of correct selection guarantee (10), as a function of α, δ and response variation of Yq . Step 2: For each q = 1, 2, . . . , nC , obtain replicated responses Fqs , s = 1, 2, . . . , sq and compute the sample mean F q , according to (11).  Return: Yˆ = arg F  . Fig. 1. A Generic R&S Procedure

3. The MGPS-RS algorithm For stochastic response functions, procedures of the type introduced in Section 2.3 are used within the generalized pattern search framework to select new iterates. This framework is flexible in that a number of specific R&S procedures may be used, so long as they satisfy the probability of correct selection guarantee (10). A mixed variable GPS ranking and selection (MGPS-RS) algorithm is presented in Figure 2 for mixed variable stochastic optimization problems with linear constraints on the continuous variables. In the algorithm, binary comparisons of incumbent and trial designs used in traditional GPS methods are replaced by R&S procedures in which one candidate is selected from a finite set of candidates considered simultaneously. The R&S procedures provide error control by ensuring sufficient sampling of the candidates so that the best or δ-near-best is chosen with probability 1 − α or greater. The mesh construct of (5) defines the set of points in the search domain Θ from which the candidates are drawn. In the search step, the flexibility of GPS allows any user-defined procedure to be used in determining which candidates from (5) to consider. In the poll step, the entire poll set about the incumbent (6) and the discrete neighbor set are considered simultaneously. If search and poll are unsuccessful, the extended poll step conducts a polling sequence that searches the continuous neighborhood of any discrete neighbor with a response mean sufficiently close to the response mean of the incumbent. This step is divided into sub-steps to account for the sequence of R&S procedures that may be necessary. In Step 3a, each sub-iterate Ykj , indexed by sub-iteration counter j and iteration k, is selected as the best candidate from the poll set centered about the previous sub-iterate using the R&S procedure, terminating when the procedure fails to produce a sub-iterate different from its predecessor. The termik nal point of the resulting sequence {Ykj }Jj=1 , denoted as Zk = YkJk and termed an extended poll endpoint, is compared to the incumbent via a separate R&S procedure in Step 3b.

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Mixed Variable Generalized Pattern Search - Ranking & Selection (MGPS-RS) Algorithm Initialization: Choose a feasible starting point X0 ∈ Θ. Set ∆0 > 0, ξ > 0, α0 ∈ (0, 1), δ0 > 0, ρα ∈ (0, 1), and ρδ ∈ (0, 1). Initialize counters k = 0 and r = 0. 1. search step (optional): Employ a finite strategy to select a set of mesh points Uk ⊂ Mk as candidate points to be evaluated. Use Procedure RS(Uk ∪ {Xk }, αr , δr ) to return the estimated best solution Yˆ ∈ Uk ∪ {Xk }. Update αr+1 = ρα αr , δr+1 = ρδ δr , and r = r + 1. If Yˆ 6= Xk (the step is successful), update Xk+1 = Yˆ , ∆k+1 ≥ ∆k according to (7)–(8), and k = k + 1, and repeat Step 1. Otherwise, proceed to Step 2. 2. poll step: Set extended poll trigger ξk ≥ ξ. Call Procedure RS to get the estimated best solution Yˆ = RS(Pk (Xk ) ∪ N (Xk ), αr , δr ), where Pk (Xk ) is defined in (6) and N (Xk ) ⊂ Mk . Update αr+1 = ρα αr , δr+1 = ρδ δr , and r = r + 1. If Yˆ 6= Xk (the step is successful), update Xk+1 = Yˆ , ∆k+1 ≥ ∆k according to (7)–(8), and k = k + 1, and return to Step 1. Otherwise, proceed to Step 3. 3. extended poll step: For each discrete neighbor Y ∈ N (Xk ) that satisfies the extended poll trigger condition F (Y ) < F (Xk ) + ξk , set j = 1 and Ykj = Y and do the following: (a) Call Procedure RS to get the estimated best solution Yˆ = RS(Pk (Ykj ), αr , δr ). Update αr+1 = ρα αr , δr+1 = ρδ δr , and r = r + 1. If Yˆ 6= Y j , set Y j+1 = Yˆ k

k

and j = j + 1, and repeat Step 3a. Otherwise, set Zk = Ykj and proceed to Step 3b. (b) Use Procedure RS({Xk , Zk }, αr , δr ) to return the estimated best solution Yˆ = Xk or Yˆ = Zk . Update αr+1 = ρα αr , δr+1 = ρδ δr , and r = r + 1. If Yˆ = Zk (the step is successful), update Xk+1 = Yˆ , ∆k+1 ≥ ∆k according to (7)–(8), and k = k + 1, and return to Step 1. Otherwise, repeat Step 3 for another discrete neighbor that satisfies the extended poll trigger condition. If no such discrete neighbors remain, set Xk+1 = Xk , ∆k+1 < ∆k according to (7)–(8), and k = k +1 and then return to Step 1. Fig. 2. MGPS-RS Algorithm for Stochastic Optimization

If the extended poll trigger ξk is set too high, more extended poll steps result, thus making a solution more “global”. However, the additional sampling required at the extra points increases computational expense, particularly with high noise levels in the response output. The algorithm maintains a separate counter for R&S parameters αr and δr , which are updated according to the formulas, αr+1 = ρα αr , δr+1 = ρδ δr ,

(12) (13)

for some ρα , ρδ ∈ (0, 1), where α0 ∈ (0, 1) and δ0 > 0 are the initial settings. As shown in Section 4, these rules ensure convergence of the algorithm.

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The update rules for ∆k in the algorithm are the same as the deterministic case; i.e., refinement or coarsening is accomplished according to (7)–(8), depending on the success of the search, poll, and extended poll steps. Each execution of the R&S procedure generates an iterate or sub-iterate that is the candidate returned as the “best” by the procedure. When the new iterate (sub-iterate) is different from (presumed “better” than) the incumbent, the iteration (sub-iteration) is termed successful ; if it remains the same, it is unsuccessful. The use of these terms is in keeping with traditional pattern search methods where, in a deterministic setting, a success indicates a strict improvement in the objective function value. Let Vr+1 denote an iterate or sub-iterate selected from candidate set C of cardinality nC by the rth R&S procedure of the MGPS-RS algorithm. Each successful or unsuccessful outcome (iteration or sub-iteration) can be divided into three cases, respectively, as follows: 1. The outcome is considered successful if one of the following holds: (a) indifference zone condition is met and R&S correctly selects a new incumbent; i.e., Vr 6= Vr+1 = Y , f (Y[q] ) − f (Vr+1 ) ≥ δr , q = 2, 3, . . . , nC ;

(14)

(b) indifference zone condition is met but R&S incorrectly selects a new incumbent; i.e., Vr 6= Vr+1 6= Y , f (Y[q] ) − f (Y ) ≥ δr , q = 2, 3, . . . , nC ;

(15)

(c) indifference zone condition is not met and R&S selects a new incumbent; i.e., Vr 6= Vr+1 , f (Y[q] ) − f (Y ) < δr for some q ∈ {2, 3, . . . , nC }. (16) 2. The outcome is unsuccessful if one of the following holds: (a) indifference zone condition is met and R&S correctly selects the incumbent; i.e., Vr = Vr+1 = Y , f (Y[q] ) − f (Y ) ≥ δr , q = 2, 3, . . . , nC ;

(17)

(b) indifference zone condition is met but R&S incorrectly selects the incumbent; i.e., Vr = Vr+1 6= Y , f (Y[q] ) − f (Y ) ≥ δr , q = 2, 3, . . . , nC ;

(18)

(c) indifference zone condition not met and R&S selects the incumbent; i.e., Vr+1 = Vr , f (Y[q] ) − f (Y ) < δr for some q ∈ {2, 3, . . . , nC }. (19) In the algorithm, Xk and Ykj play the role of Vr for iterates and sub-iterates, respectively. Of the possible outcomes for new iterates or sub-iterates, conditions (14) and (17) conform to the traditional GPS methods for deterministic optimization where, in the case of a successful iteration, a trial point from the mesh has a better true objective function value than the incumbent and, in the case

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of an unsuccessful iteration, the incumbent has the best true objective function value of all candidates considered. Of particular concern for the convergence analysis are the remaining conditions. Conditions (16) and (19) occur when the difference between true objective function values of a trial point on the mesh and the incumbent is smaller than the indifference zone parameter. This situation can result from either an overly relaxed indifference zone or an objective function whose true surface is “flat” in the region of the search. When this occurs, the probability for correct selection cannot be guaranteed. However, forcing convergence of δr to zero via update rules ensures that the indifference zone condition will be met in the limit. A greater concern is the case when the indifference zone condition is met, but the algorithm selects the “wrong” candidate (i.e., it doesn’t choose the candidate with the best true objective function value). This represents conditions (15) and (18), and occurs with probability αr or less for the rth R&S procedure. The convergence analysis of the following section addresses controls placed on the errors presented by these conditions.

4. Proof of Convergence We now establish convergence results for the the MGPS-RS algorithm. The analysis that follows requires the following assumptions: A1: All iterates Xk produced by the MGPS-RS algorithm lie in a compact set. A2: The objective function f is continuously differentiable with respect to the continuous variables when the discrete variables are fixed. A3: For each set of discrete variables X d , the corresponding set of directions Di = Gi Zi , as defined in (4), includes tangent cone generators for every point in Θc . A4: The rule for selecting directions Dki conforms to Θc for some ε > 0 (see Definition 3). sq A5: For each q = 1, 2, . . . , nC , the responses {Fqs }s=1 are independent, identically and normally distributed random variables with mean f (Xq ) and unknown variance σq2 < ∞, where σl2 6= σq2 whenever l 6= q. A6: For the rth R&S procedure with candidate set C = {Y1 , Y2 , . . . , YnC }, RS(C, αr , δr ) guarantees correctly selecting the best candidate Y ∈ C with probability of at least 1 − αr whenever f (Y[q] ) − f (Y ) ≥ δr for any q ∈ {2, 3, . . . , nC }. A7: For all but a finite number of MGPS-RS iterations and sub-iterations, the best solution Y ∈ C is unique, i.e., f (Y ) 6= f (Y[q] ) for all q ∈ {2, 3, . . . , nC } where C = {Y1 , Y2 , . . . , YnC } ⊂ Mk at iteration k. These assumptions warrant a brief discussion. Assumption A1 is a fairly standard assumption, and is easily enforced by including finite upper and lower bounds on the continuous variables (which is very common in practice). Assumption A3 ensures that the restriction on the direction set (4) is maintained

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13

in the presence of linear constraints, and Assumption A4 provides for adequate rules to generate conforming directions. A sufficient condition for Assumption A3 to hold is that Gi = I for each i ∈ {1, . . . , imax } and the coefficient matrix A is rational . The independent, normally distributed requirement for responses from a single alternative in Assumption A5 is common in practice and for R&S techniques. Even in simulation optimization problems, in which data is often correlated, this assumption can be achieved via batched output data or sample averages of independent replications . The assumption of unequal variances between different alternatives is realistic for practical problems and is readily handled with modern R&S procedures. Assumption A6 provides the correct selection guarantee of the R&S procedure and is required in the absence of identifying a specific method. Most R&S procedures are accompanied by proofs that the correct selection guarantee is met. MGPS-RS is flexible in that any R&S procedure may be used, so long as it satisfies Assumption A6. Finally, Assumption A7 is required to ensure the indifference zone condition is eventually met during the course of the iteration sequence. This assumption may seem restrictive, but the likelihood of two candidate mesh points having exactly the same objective function value is quite rare for non-academic problems. Since MGPS-RS iterates are random variables, the convergence analysis must be carried out in probabilistic terms. To that end, the following definition is provided. c

d

Definition 4. Let Θ ⊆ (Rn × Zn ) be a mixed variable domain, and let k · k c define a norm on Rn . A sequence of multivariate random vectors {Xk } ⊂ Θ is said to converge almost surely (a.s.) or converge with probability 1 to the limit point x ∈ Θ if, for every ε > 0, there exists a positive integer N such that P (Xkd = xd ) = 1 and P (kXkc − xc k < ε) = 1 for all k > N . 4.1. Controlling Incorrect Selections Random variation in the responses can lead to incorrect selections in the R&S procedure, as formalized by conditions (15) and (18). In order to establish desirable convergence results, a means of bounding the sequence of incorrect selection events is necessary, so that the sequence of iterates is not dominated by incorrectly selected (and possibly unimproving) candidates. This is accomplished by the update rules for αr and δr given in equations (12) and (13), respectively. Lemma 1. With probability 1, the subsequence of incorrectly selected iterates and sub-iterates generated by algorithm MGPS-RS is finite. Proof. Let Ar denote the occurrence of the event that the rth R&S procedure incorrectly selects the next iterate or sub-iterate. The complement of Assumption ∞ ∞ P P A6 yields P (Ar ) ≤ αr , r = 1, 2, . . ., and (12) ensures that P (Ar ) ≤ αr = ∞ P r=1

ρα αr−1 = . . . = α0

∞ P r=1

r=1 r

ρα =

α0 1−ρα

r=1

< ∞. The result follows directly from the

first half of the Borel-Cantelli Lemma.

t u

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Because of the possibility of incorrect selections, the following lemma is also necessary to establish that MGPS-RS cannot cycle indefinitely on a fixed mesh. Such a condition occurs if and only if there are infinitely many consecutive successful iterations. Lemma 2. With probability 1, the number of consecutive successful MGPS-RS iterations must be finite. Proof. Let KS represent the number of successful MGPS-RS iterations after iteration k. From conditions (14)–(16), KS = KC + KI + Kδ where KC is the number of correctly selected successful iterates (14), KI is the number of incorrectly selected successful iterates (15), and Kδ is the number of successful iterates until the indifference zone condition (16) is satisfied. Since Assumption A1 ensures that all iterates are mesh points that lie in a compact set, it must follow that KC < ∞. Furthermore, Assumption A7 and (13) ensure that Kδ < ∞. Finally, since the number of incorrectly selected successful iterates is a subset of all incorrect selections (successful and unsuccessful), Lemma 1 ensures that P (KI < ∞) = 1. It follows that P (KS < ∞) = P (KC + KI + Kδ < ∞) = P (KI < ∞) = 1.

t u

4.2. Mesh Size Behavior The main result of this section is that, with probability one, subse there exists a  quence of mesh size parameters that goes to zero, i.e., P

lim inf ∆k = 0 k→+∞

= 1,

which is independent of any smoothness assumptions on the objective function. This result was first established by Torczon  and subsequently modified for MVP problems by Audet and Dennis . Audet and Dennis later adapted a lemma of Torczon  to provide a lower bound on the distance between any two mesh points at each iteration , which was then extended in  to MVP problems. This lower bound is stated in Lemma 3, the result of which is necessary to establish that the mesh size parameter is bounded above in Lemma 4. Finally, Theorem 1 presents the key result for this section. The proof of Lemma 3 is independent of response noise and is proven in . The proofs for Lemma 4 and Theorem 1 are modified from  to account for stochastic responses. Lemma 3. For any k ≥ 0, k ∈ Z, let u and v be any pair of distinct mesh points such that ud = v d . Then for any norm for which all nonzero integer vectors have norm at least 1, ∆k kuc − v c k ≥ −1

G i where the index i corresponds to the combination of discrete variable values defined by ud = v d . Lemma 4. With probability 1, there exists a positive integer bu < ∞ such that u ∆k ≤ ∆0 τ b for any k ≥ 0, k ∈ Z.

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Proof. By Assumption A1, the search domain is bounded so the discrete variables can only take on a finite number of values. Let imax denote this number and let I = {1, . . . , imax }. Also under Assumption A1, for each i ∈ I, let Λi be c a compact set in Rn containing all MGPS-RS iterates whose discrete variable

, values correspond to i ∈ I. Let γ = max{diam(Λi ) : i ∈ I} and β = max G−1 i i∈I

where diam(·) denotes the maximum distance between any two points in the set. If ∆k > γβ, then by Lemma 3 (with v = Xk ), any mesh point u with uc 6= Xkc would be outside of ∪ Λi . This can be seen by the following: i∈I

γmax G−1 i γβ ∆ i∈I k c c

> = ≥γ ku − Xk k ≥

G−1

G−1

G−1 i i i > max{diam(Λi ) : i ∈ I}.

(20)

Thus, ∆k > γβ implies that the continuous part of the mesh is devoid of feasible candidates except for the incumbent. Therefore, Mk ∩ Θ = {Xkc } × Θd and Pk (Xk ) = {Xk }. Furthermore, the poll set for any discrete neighbor Y of Xk is devoid of candidates except for Y by the same argument as (20) using Lemma 3 (with V = Y ), so the extended poll step is avoided. The algorithm can consider a maximum of imax different candidates defined by the combinations of Θd during a search or poll step. The mesh size parameter grows without bound only if it is possible to cycle indefinitely between these imax solutions. But Lemma 2 guarantees P (KS < ∞) = 1, where KS is the number of consecutive successful iterations after iteration k. Then the mesh size parameter will have grown, at a maximum, by a factor of (τ mmax )KS and is thus bounded above by γβ(τ mmax )KS . Let bu be large enough so that u ∆0 τ b ≥ γβ(τ mmax )KS . Then P (KS < ∞) = 1 =⇒ P (γβ(τ mmax )KS < ∞) = u 1 =⇒ P (∆0 τ b < ∞) = 1 =⇒ P (bu < ∞) = 1. t u  Theorem 1. The mesh size parameters satisfy P

 lim inf ∆k = 0 = 1. k→+∞

Proof. By way of contradiction, suppose there exists a negative integer b` such ` ` that ∆0 τ b > 0 and P (∆k > ∆0 τ b ) = 1 for all k ≥ 0, k ∈ Z. By definition of the update rules, it follows from (7)–(8) that ∆k = τ bk ∆0 for some bk ∈ Z. Since Lemma 4 ensures that bk is bounded above a.s. by bu , it follows that bk ∈ {b` , b` + 1, . . . , bu } a.s. Thus, bk is an element of a finite set of integers which implies that ∆k takes on a finite number of values for all k ≥ 0. |D |

c Now, Xk+1 ∈ Mk ensures that Xk+1 = Xkc + ∆k Di zk for some zk ∈ Z+ i and some i ∈ {1, 2, . . . , imax }. Repeated application of this equation leads to the following result over a fixed i at iteration N ≥ 1, where p and q are relatively

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prime integers satisfying τ = pq : c XN = X0c +

N −1 X

∆ k D i zk

k=0

=

X0c

+D

i

N −1 X

∆ 0 τ b k zk

k=0

= X0c + ∆0 Di

N −1 X k=0

` ` p(bk +b −b ) zk q (bk +bu −bu )

N −1 X ` u pb i ∆ D p(bk −b ) q (b −bk ) zk 0 u b q `

= X0c +

k=0

NP −1 ` ` u u Since p(bk −b ) and q (b −bk ) are both integers, then p(bk −b ) q (b −bk ) zk is a k=0 i i D -dimensional vector of integers (recall zk ∈ Z|+D | ). So, the continuous part of each iterate, Xkc , k = 0, . . . , N having the same discrete variable values defined by i lies on the translated integer lattice generated by X0c and the columns of `

pb q bu

∆0 Di . Furthermore, the discrete part of each iterate, Xkd , lies on the integer d

lattice Θd ⊂ Zn . By Assumption A1, all iterates belong to a compact set, so there must be only a finite number of possible iterates. Lemma 2 ensures that the algorithm cannot cycle indefinitely between these points (i.e. the subsequence of consecutive successful iterations is finite a.s.). Thus, as k → +∞, one of the iterates must be visited infinitely many times a.s., which implies an infinite number of mesh refinements. But this contradicts the b` b` hypothesis that P (∆  k > ∆0 τ ) =1 as k → +∞. Therefore, P (∆k > ∆0 τ ) = 0, which implies P

lim inf ∆k = 0 k→+∞

t u

= 1.

4.3. Main Results In this subsection, the existence of limit points for MGPS-RS iterates is proven. In addition, limit points are shown to satisfy the first-order necessary conditions for optimality in Definition 2. The results have been modified from  and  to accommodate the new algorithmic framework. The following definition, which distinguishes a subsequence of the unsuccessful iterates, simplifies the analysis. Definition 5. A subsequence of unsuccessful MGPS-RS iterates {Xk }k∈K (for some subset of indices K) is said tobe a refiningsubsequence if {∆k }k∈K converges almost surely to zero, i.e., P

lim ∆k = 0

k∈K

= 1.

Since ∆k shrinks for unsuccessful iterations, Theorem 1 guarantees that the MGPS-RS algorithm has, with probability 1, infinitely many such iterations. The

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17

next theorem, similar to the results from  and  but modified here for the probabilistic setting, establishes the existence of certain limit points associated with refining subsequences. Theorem 2. There exists a point x ˆ ∈ Θ and a refining subsequence {Xk }k∈K , with associated index set K ⊂ {k : Xk+1 = Xk } such that {Xk }k∈K converges almost surely to x ˆ. Moreover, if N is continuous at x ˆ, then there exists yˆ ∈ N (ˆ x) and zˆ = (ˆ z c , yˆd ) ∈ Θ such that {Yk }k∈K converges almost surely to yˆ and {Zk }k∈K converges almost surely to zˆ, where each Zk ∈ Θ is an extended poll endpoint initiated at Yk0 ∈ N (Xk ).   Proof. Theorem 1 guarantees P lim inf ∆k = 0 = 1; thus there is an infinite k→+∞

subset of indices of unsuccessful iterates K 0 ⊂ {k : X k+1 = Xk }, such  that the subsequence {∆k }k∈K 0 converges a.s. to zero, i.e., P lim0 ∆k = 0 = 1. Since k∈K

all iterates Xk lie in a compact set, there exists an infinite subset of indices K 00 ⊂ K 0 such that the subsequence {Xk }k∈K 00 converges almost surely. Let x ˆ be the limit point of such a subsequence. The continuity of N at x ˆ guarantees that yˆ ∈ N (ˆ x) ⊂ Θ is a limit point of a subsequence Yk ∈ N (Xk ). Let zˆ ∈ Θ be a limit point of the sequence Zk ∈ Θ of extended poll endpoints initiated at Yk0 . Choose K ⊂ K 00 such that {Yk }k∈K converges a.s. to yˆ and {Zk }k∈K converges a.s., letting zˆ denote the limit point. t u For the remainder of the analysis, it is assumed that x ˆ and K satisfy the conditions of Theorem 2. The following lemma establishes the first main result, showing that limit points satisfy necessary condition 2 of Definition 2. The direct proof is modified for the stochastic case from , where it was presented as an alternative to the contradictory proof in . Lemma 5. If N is continuous at the limit point x ˆ, then x ˆ satisfies f (ˆ x) ≤ f (ˆ y) a.s. for all yˆ ∈ N (ˆ x). Proof. From Theorem 2, the sequences {Xk }k∈K and {Yk }k∈K converge a.s. to x ˆ and yˆ, respectively. Since k ∈ K ⊂ {k : Xk+1 = Xk }, each {Xk }k∈K meets one of the conditions (17)–(19). Assumption A7 ensures that the number of iterates satisfying condition (19) is finite. Furthermore, since the set of iterates meeting condition (18) is a subset of all incorrectly selected iterates, Lemma 1 ensures the number of iterates satisfying this condition is finite almost surely. Therefore, the number of correctly selected iterates in {Xk }k∈K meeting condition (17) must be infinite. Let k 0 denote an unsuccessful iteration after the last occurrence of both conditions (18) and (19) and let K 0 = K ∩ {k ≥ k 0 } which converges a.s. to x ˆ. Since each iterate {Xk }k∈K 0 meets condition (17), f (Xk ) < f (Yk ) for all k ∈ K 0 . By the continuity of N and Assumption A2, f (ˆ x) = limk∈K 0 f (Xk ) ≤ limk∈K 0 f (Yk ) = f (ˆ y ). t u The following lemma is necessary to show stationarity of the iterates Xk , and extended poll endpoints Zk . It merges two lemmas from  and modifies the results therein for the new algorithmic framework.

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T. A. Sriver et al.

Lemma 6. Let w ˆ be the limit point of a refining subsequence {Wk }k∈K . Then (wc − w ˆ c )T ∇c f (w) ˆ ≥ 0 a.s. for any feasible (wc , w ˆ d ). Proof. By Assumption A2, the mean value theorem applies. Then, a feasible point V ∈ P (Wk ) \ {Wk } can be expressed as, f (V ) = f (Wk + ∆k (d, 0)) = f (Wk ) + ∆k dT ∇c f (Wk + λdk ∆k (d, 0))

(21)

for any any d ∈ Dki ⊆ Di that is feasible infinitely often and λdk ∈ [0, 1] that depends on the iteration k and positive basis vector d. Choose k ∈ K large enough so that the indifference zone condition is satisfied and incorrect selections have terminated almost surely. Then, by condition (17), f (V ) − f (Wk ) ≥ δr (k) where δr (k) depends on k. Furthermore, f (Wk ) ≤

min f (V ) − δr (k)  = mini f (Wk ) + ∆k dT ∇c f (Wk + λdk ∆k (d, 0)) − δr (k) V ∈P (Wk )

d∈Dk

 = f (Wk ) − δr (k) + ∆k mini dT ∇c f (Wk + λdk ∆k (d, 0)) , d∈Dk

which implies that  min dT ∇c f (Wk + λdk ∆k (d, 0)) ≥ δr (k).

i d∈Dk

 ˆ ≥ 0 a.s. (recall Taking the limit as k → ∞ (in K) yields mind∈Di dT ∇c f (w) limk→∞ δr (k) = 0 by equation (13)). Therefore, dT ∇c f (w) ˆ ≥ 0 a.s. for any d ∈ Di that is feasible infinitely often. By Assumption A4, any feasible direction (wc − w ˆ c ) is a nonnegative linear i c combination of feasible directions in D that span ˆ Pndthe tangent cone of Θ at w. c c Then for βj ≥ 0, j = 1, 2, . . . , nd , (w − w ˆ ) = i=1 βj dj and (wc − w ˆ c )T ∇c f (w) ˆ =

nd P j=1

βj dTj ∇c f (w) ˆ ≥ 0 a.s.

t u

It is now possible to state the second main result. Lemma 7 shows that the limit point x ˆ satisfies condition 1 of Definition 2. Lemma 7. The limit point x ˆ satisfies (xc − x ˆc )T ∇c f (ˆ x) ≥ 0 a.s. for any feasible c d (x , x ˆ ). Proof. The result follows directly from Lemma 6 by substituting Xk for Wk as the refining subsequence, and from results on the sequence {Xk }k∈K of Theorem 2. t u The remaining result may now be completed. Lemma 8 shows that limit points x ˆ and discrete neighbors yˆ that satisfy f (ˆ y ) = f (ˆ x) meet condition 3 of Definition 2. Theorem 3 collects all the main results into a single theorem.

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Lemma 8. The limit point x ˆ and any point yˆ in the set of neighbors N (ˆ x) satisfying f (ˆ y ) = f (ˆ x), are such that (y c − yˆc )T ∇c f (ˆ y ) ≥ 0 a.s. for any feasible (y c , yˆd ). Proof. Choose k 0 ∈ K large enough so that the indifference zone condition is satisfied and incorrect selections have terminated almost surely and let K 0 = K ∩ {k ≥ k 0 }. Then by condition (14), f (Ykj ) < f (Ykj−1 ) for all k ∈ K 0 , which implies f (Zk ) < f (Yk ) for all k ∈ K 0 . Furthermore, since K 0 is a subset of unsuccessful iterates, condition (17) is satisfied, which implies f (Xk ) < f (Zk ) for each k ∈ K 0 . By continuity of f and taking the limit as k → ∞ (in K 0 ), it follows that f (ˆ x) ≤ f (ˆ z ) ≤ f (ˆ y ). Therefore, f (ˆ z ) = f (ˆ y ). By the differentiability of f , it follows that f (ˆ y + t(y c − yˆc , 0)) − f (ˆ y) t→0 t f (Yk ) − f (ˆ y) f (Yk ) − f (ˆ z) f (Zk ) − f (ˆ z) = lim0 = lim0 ≥ lim0 k∈K k∈K k∈K ∆k ∆k ∆k = (z c − zˆc )T ∇c f (ˆ z ) ≥ 0,

(y c − yˆc )T ∇c f (ˆ y ) = f 0 (ˆ y ; (y c − yˆc , 0)) = lim

where f 0 (ˆ y ; (y c −ˆ y c , 0)) denotes the directional derivative of f at yˆ in the direction c c (y − yˆ , 0), and the last inequality follows by substituting Zk for Wk as the refining subsequence in Lemma 6. t u Theorem 3. The limit point x ˆ satisfies first-order necessary conditions for optimality a.s. Proof. This follows directly from Definition 2 and Lemmas 5, 7, and 8.

t u

It is likely that limited second-order behavior of this algorithm could be characterized in a way similar to that of , but we do not address this here, as it would lengthen the paper unnecessarily.

5. Computational Issues In practice, convergence theory is insufficient to ensure a workable algorithm. In particular, as ∆k (and δr ) approach zero in accordance with the theory, the number of samples required to ensure that Assumption A6 holds becomes unbounded. Hence, termination criteria need to ensure sufficient accuracy, while keeping sample sizes under control. This issue is addressed in the subsequent two subsections, in which we analyze the issue more closely and illustrate our ideas on a set of test problems.

5.1. Termination and Sample Size Control The traditional approach in pattern search algorithms is to simply terminate when the mesh size parameter ∆k is sufficiently small. As a measure of distance

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T. A. Sriver et al.

between neighboring mesh points, ∆k not only provides a reasonable estimate of proximity to a limit point, it is also a reasonable measure of stationarity for deterministic problems . For stochastic problems, it is important to also ensure that αr is sufficiently small so that errors in correct selection achieve a specified threshold. However, this must be balanced by a computational budget restriction to curb the number of function evaluations. To illustrate how this may be accomplished, we now depart from the generality of previous sections and specify the R&S scheme as Rinott’s two-stage indifference-zone procedure . We choose Rinott in part because the analysis is easier, but also because it is based on a least favorable configuration assumption that the best candidate has a true mean exactly δr better than all remaining candidates, which are all tied for second best . This means that, compared to other methods in the literature, the procedure tends to over-prescribe the number of samples needed to guarantee a specified probability of correct selection. For a significance level of α, Rinott’s constant g is defined as the solution to the equation,

Z

"Z

Φ 0

0

g p v(1/x + 1/y)

!

#nC −1 fv (x)dx

fv (y)dy = 1 − α,

(22)

where Φ(·) is the standard normal cumulative distribution function, and fv (·) is the χ2 probability distribution function with v degrees of freedom. Values for g can be computed numerically or are available in tables for commonly used parameter combinations. In the first of the two Rinott stages, the sample variance Sq2 for each candidate q is computed from a fixed number s0 of response samples. In the second stage, for indifference zone parameter δ, sq − s0 additional samples are collected for each candidate, where sq = max{s0 , d(gSq /δ)2 e}.

(23)

The objective function value is then estimated by averaging the response samples over both stages for each candidate. For nC candidate the number of samples required for each R&S iterpoints, 2  gS ation is roughly nC , where g increases with nC and 1 − αr and S is the δr standard deviation of one of the candidate points. This yields an approximate  2 per-iteration budget of B ≈ g 2 nC δSr , which can be normalized by setting it equal to a multiple of g 2 nC (since both depend on problem size), yielding  2 B = Lg 2 nC for some L ∈ R. Therefore, L = δSr , which can be used to form a real-time budget threshold that estimates a point of “minimal return”, yielding

Pattern Search Ranking and Selection Algorithms

21

the final of three termination criteria for MGPS-RS, given now as ∆k ≤ ∆T αr ≤ αT √ Sk ≥ L, δr

(24) (25) (26)

where Sk is the standard deviation of the incumbent at iteration k, and the right-hand sides of (24)–(26) are user-specified values that control termination of the algorithm. Condition (26) has intuitive appeal because the left-hand side acts as a noiseto-signal ratio, which, when sufficiently large, indicates that continued sampling may return only marginal improvement. In fact, the choice of L = 1 in (26) can be interpreted as the point at which the noise overtakes the signal strength. This is illustrated in the numerical results of Section 5.2, the full details of which are given in . Furthermore, if we make the common assumption that Sk → 0 in K (i.e., as Xk → x ˆ in K), and if δr → 0 is enforced at a slower rate than that of Sk , then it follows from (23) that the number of samples required can be kept under control without enforcing (26). We should note that problem size clearly plays a major role in determining how many function evaluations are required to achieve a specified degree of accuracy, which means that large-scale problems can require a prohibitive number of function evaluations. However, the usefulness of pattern search as an optimizer is in its treatment of problems for which no derivative information is available, rather than those of large dimension.

5.2. Test Results The MGPS-RS algorithm was implemented using the two-stage Rinott procedure described in Section 5.1, in which values of g were computed numerically by an adaptation of the code listed in . Numerical tests were performed on 22 bound and linearly constrained NLP problems obtained from  and , along with 4 MVP problems described in . Using (26) (with L = 1) as a guide to predict when the per-iteration sampling requirements might grow rapidly, the analysis was conducted by finding the first iteration k 0 and R&S iteration r0 at which (26) holds. Let kt denote the iteration number at termination. Furthermore, as measures of optimality, let Q and P be defined respectively by Q=

P =

 kx − x∗ k   ,    kx0 − x∗ k

f (x) − f (x∗ ) , f (x0 ) − f (x∗ )

(27) if nd = 0,

  kxc − xc∗ k + min(1, |xd − xd∗ |)   , otherwise,  kxc0 − xc∗ k + 1

(28)

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T. A. Sriver et al.

where x is the best iterate found thus far, x∗ is the true optimizer, and x0 is the initial iterate. The measures P and Q are very much related to stopping conditions (24) and (26), respectively. Responses are obtained by adding a normally distributed, mean-zero noise term to the underlying true objective function; i.e., F (x, w) = f (x) + w, where w ∼ N (0, σ 2 (x, f )), and the variance σ 2 of the noise depends on the true function. For comparison, we consider high and low noise cases, respectively labeled as Noise Cases 1 and 2, with corresponding standard deviations defined by   p σ1 (x, f ) = min 10, f (x) − f (x∗ ) + 1 , ! 1 σ2 (x, f ) = max 0.1, p . f (x) − f (x∗ ) + 1 Note that at optimality, σ1 = σ2 = 1, but they diverge to values σ1 = 10 and σ2 = 0.1, respectively, for trial points away from optimality. R&S parameters used were δ0 = 100, α0 = 0.8, ρδ = ρα = 0.95, and s0 = 5. + Pattern search parameters were D = [I, −I], τ = 2, m− k = −1, mk = 0, and no search. The initial mesh size was different for each problem, ranging from 0.25 to 10. For the MVP problems, the extended poll trigger was also set differently for each problem, ranging from a value of 200-2000 for the first few iterations and 10-20 thereafter. Numerical results are shown in Table 1, in which certain data were collected for each test problem at iterations k 0 and kt , the latter of which occurs when 1 ∆0 is satisfied, or when the number of function evaluations ∆kt < ∆T = 100 exceeded 100,000 for problems of less than 30 variables and 400,000 for larger problems. For each noise case, the number of continuous variables (nc ) are given for each problem (the MVP problems each have one categorical variable that may take on 2-3 values), and averages (over 30 replications) for percent reduction in Q (%Q), percent reduction in P (%P ), and response samples (RS) are given for iterations k 0 and kt . In seven of the test problems for Noise Case 1 and all 26 problems for Noise Case 2, the termination criteria (25) would have been satisfied for αT = 0.01. In 15 of these cases, plus several others, excellent progress was made toward optimality (97% reduction in Q or higher). Even more telling is that in all cases, very little progress was made between iterations k 0 and kt , while using significantly more samples over fewer iterations. This is, in fact, true for nearly all of the problems, which is an indicator that (26) may indeed be a useful means for selecting a stopping point. In some problems, particularly in Noise Case 1, some mild but not insignificant improvement was observed after iteration k 0 (e.g., problems 105, 118, 301, 392). In each of these cases, the average step length was still relatively high, indicating that the algorithm may still have been making many successful moves through the design space. In these situations, it would be advantageous to have a parameter update strategy that monitored the decay rate of ∆k and adjusted the decay rate of αr and δr accordingly. That is, if ∆k shrinks slowly, then so

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should αr and δr . This allows the algorithm to continue aggressively exploring the design space before the sampling requirements increase to prohibitive levels. Problems 289, 300, and 301 performed quite poorly. Problem 289 is challenging because the objective function values at the starting and optimal points differ only by 0.6963. Thus, even in the low noise case, the effect of noise at different candidate designs dominates the difference in true objective function values there. Problems 300 and 301 are both instances of a gradually sloping n-dimensional quadratic function with n − 1 cross terms, which hinders performance because the contours of the function do not lie along the coordinate axes, which are the search directions of the algorithm. The anomalous behavior of Problem 305 (and to a lesser extent, Problem 004, Noise Case 1) indicates that the algorithm tended to move off of a bad point to a point further away from the optimal point, but with an excellent objective function value. This can happen when a function is badly scaled, where some directions are very steep and others are very flat. Additional (and rather exhaustive) numerical results are given in  and , in which different R&S schemes (within MGPS-RS) are compared against each other and against other well-known stochastic optimization methods. 6. Conclusion We have presented a rigorous class of algorithms for the optimization of stochastic systems defined over mixed variable domains, and we believe it is the first-ever algorithm to treat this very general class of optimization problems. The Monte Carlo-based sampling approach is flexible in that any viable ranking and selection method can be inserted to select new iterates within the generalized pattern search framework. Under reasonable conditions, iterates generated by the algorithms converge almost surely to stationary points appropriately defined over the mixed variable domain. Numerical tests show that reasonable termination conditions can be imposed, which can provide a good measure of proximity to a local solution while controlling sample sizes. An advantage of the approach is that, through manipulation of the R&S parameters ρδ and ρα , sampling requirements can be increased gradually as the algorithm progresses, so that excessive sampling effort is not wasted at early iterations. Furthermore, more “relaxed” settings of these parameters early in the search may allow the algorithm to avoid entrapment near suboptimal local minima, similar to the cooling schedule in simulated annealing. Acknowledgements. This work was sponsored, in part, by the Air Force Office of Scientific Research.

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Table 1. Results for MGPS-RS using Rinott Noise Case 1: k ≤ k0 Problem nc ∆T ∆k 0 αr 0 %Q %P RS 003 2 .0050 0.00003 .00824 83.64 2.24 4127 004 2 .0025 0.00001 .00886 41.55 -23.07 4113 005 2 .0050 0.00006 .00912 80.30 61.20 4314 025 3 .0200 0.00499 .01534 91.62 2.75 4905 036 3 .0100 0.00002 .00995 99.98 99.96 4994 105 8 .0025 0.07324 .08216 32.49 0.92 5787 110 10 .0010 0.01633 .01390 22.42 13.44 22742 118 15 .0400 1.13333 .05841 79.43 28.90 10165 224 2 .0050 0.00005 .01097 99.51 89.62 4043 244 3 .0200 0.00897 .01080 54.47 29.48 5308 256 4 .0100 0.00125 .00970 99.82 85.45 8042 275 4 .0100 0.01257 .00916 99.40 52.72 8311 281 10 .0050 0.04167 .02213 47.04 29.31 19651 287 20 .0100 0.23542 .06347 99.90 55.26 28682 288 20 .0100 0.14583 .01733 99.71 81.92 55894 289 30 .0010 0.05125 .01226 -0.65 -0.64 71202 297 30 .0200 0.04401 .02796 99.90 94.16 68156 300 20 .0010 0.06542 .03924 -3.45 0.00 29006 301 50 .0200 0.77083 .07253 -18.31 0.30 58528 305 100 .0200 0.07917 .04353 100.00 -360.14 412328 314 2 .0025 0.00001 .00801 95.36 52.44 4539 392 30 .1000 3.76823 .07644 42.11 4.97 9512 MVP 1 4 .0050 0.02834 .01037 99.60 77.97 20735 MVP 2 4 .0050 0.13319 .01152 99.38 76.80 45588 MVP 3 20 .0050 0.02160 .02343 97.74 34.41 224914 MVP 4 20 .0050 0.21095 .02684 98.97 47.37 431675 Noise Case 2: 003 2 .0050 004 2 .0025 005 2 .0050 025 3 .0200 036 3 .0100 105 8 .0025 110 10 .0010 118 15 .0400 224 2 .0050 244 3 .0200 256 4 .0100 275 4 .0100 281 10 .0050 287 20 .0100 288 20 .0100 289 30 .0010 297 30 .0200 300 20 .0010 301 50 .0200 305 100 .0200 314 2 .0025 392 30 .1000 MVP 1 4 .0050 MVP 2 4 .0050 MVP 3 20 .0050 MVP 4 20 .0050

0.00007 0.00000 0.00002 0.00060 0.00001 0.22292 0.01331 0.17663 0.00001 0.00152 0.00106 0.00714 0.00523 0.00422 0.05443 0.04958 0.01393 0.02372 0.06302 0.00993 0.00002 1.25000 0.01477 0.14147 0.00329 0.00767

.00709 86.28 2.47 4529 .00747 72.49 27.73 4032 .00688 92.37 76.28 4588 .00359 87.22 20.66 8472 .00698 99.99 99.98 6313 .00138 79.87 11.23 32540 .00621 61.03 44.48 27200 .00302 95.78 48.61 35190 .00688 99.94 97.27 4502 .00708 70.75 36.50 6116 .00804 99.92 90.32 8323 .00810 99.48 53.62 8139 .00655 93.84 88.81 24282 .00160 99.96 55.49 93786 .00791 99.97 93.41 49772 .00738 -0.17 -0.18 88385 .00757 99.99 98.06 73016 .00217 5.69 0.90 90101 .00133 9.23 1.26 341258 .00228 100.00 -345.67 493679 .00770 97.95 64.75 4182 .00096 53.67 15.29 74923 .00787 99.83 81.58 8617 .00487 99.77 80.65 52684 .00687 99.62 84.18 300380 .00666 99.79 82.25 312967

k 0 < k ≤ kt %Q %P RS 0.00 0.00 95873 0.00 0.00 95888 0.00 0.00 95686 0.03 0.00 95095 0.00 0.00 95006 6.51 0.11 94213 1.18 0.92 77258 5.81 3.65 89835 0.00 0.00 95958 -0.01 -0.04 94692 0.00 0.03 91958 0.01 0.40 91689 1.66 1.83 80349 0.05 0.35 71318 0.06 1.49 45449 -0.05 -0.04 367696 0.08 0.35 379523 -0.10 0.03 70994 11.69 0.08 373597 0.00 -0.07 57354 0.00 0.00 95461 3.08 3.66 400878 0.02 0.36 79265 0.21 1.64 56787 0.01 -0.06 267036 0.02 0.15 78998

0.00 0.00 0.00 0.01 0.00 0.98 0.50 0.23 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.06 0.01 0.06 0.07 0.00 0.00 0.59 0.01 0.02 0.00 0.00

0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.93 0.00 0.01 0.02 -0.01 0.08 0.00 0.23 0.06 0.02 0.01 0.01 0.01 0.00 0.64 0.02 0.37 0.02 0.02

95471 95968 95412 91528 93687 67460 72800 65495 95499 93884 91677 91861 75718 12951 50228 350677 355564 17971 110212 8654 95818 368260 91383 54461 195053 182272
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