Note:this routine usesoptional parametersto define choices in the problem specification and in the details of the algorithm. If you wish to use default settings for all of the optional parameters, you need only read Sections 1 to 10 of this document. If, however, you wish to reset some or all of the settings please refer to Section 11 for a detailed description of the algorithm, to Section 12 for a detailed description of the specification of the optional parameters and to Section 13 for a detailed description of the monitoring information produced by the routine.
The routine may be called by the names h02cbf or nagf_mip_iqp_dense.
3Description
h02cbf uses a ‘Branch and Bound’ algorithm in conjunction with e04nff to try and determine integer solutions to a general quadratic programming problem. The problem is assumed to be stated in the following general form:
where is an matrix and may be specified in a variety of ways depending upon the particular problem to be solved. The available forms for are listed in Table 1, in which the prefixes FP, LP and QP stand for ‘feasible point’, ‘linear programming’ and ‘quadratic programming’ respectively and is an -element vector.
Table 1
Problem type
Matrix
FP
Not applicable
Not applicable
LP
Not applicable
QP1
symmetric
QP2
symmetric
QP3
upper trapezoidal
QP4
upper trapezoidal
Only when the problem is linear or the matrix is positive definite can the technique be guaranteed to work; but often useful results can be obtained for a wider class of problems.
The default problem type is QP2 and other objective functions are selected by using the optional parameter Problem Type. For problems of type FP, the objective function is omitted and h02cbf attempts to find a feasible point for the set of constraints.
Branch and bound consists firstly of obtaining a solution without any of the variables constrained to be integer. Suppose ought to be integer, but at the optimal value just computed . A constraint is added to the system and the second problem solved. A constraint gives rise to a third sub-problem. In a similar manner a whole series of sub-problems may be generated, corresponding to integer constraints on the variables. The sub-problems are all solved using e04nff.
In practice the routine tries to compute an integer solution as quickly as possible using a depth-first approach, since this helps determine a realistic cut-off value. If we have a cut-off value, say the value of the function at this first integer solution, and any sub-problem, say, has a solution value greater than this cut-off value, then subsequent sub-problems of must have solutions greater than the value of the solution at and, therefore, need not be computed. Thus a knowledge of a good cut-off value can result in fewer sub-problems being solved and thus speed up the operation of the routine. (See the description of monit in Section 5 for details of how you can supply your own cut-off value.)
4References
Gill P E, Hammarling S, Murray W, Saunders M A and Wright M H (1986) Users' guide for LSSOL (Version 1.0) Report SOL 86-1 Department of Operations Research, Stanford University
Gill P E and Murray W (1978) Numerically stable methods for quadratic programming Math. Programming14 349–372
Gill P E, Murray W, Saunders M A and Wright M H (1984) Procedures for optimization problems with a mixture of bounds and general linear constraints ACM Trans. Math. Software10 282–298
Gill P E, Murray W, Saunders M A and Wright M H (1989) A practical anti-cycling procedure for linearly constrained optimization Math. Programming45 437–474
Gill P E, Murray W, Saunders M A and Wright M H (1991) Inertia-controlling methods for general quadratic programming SIAM Rev.33 1–36
Gill P E, Murray W and Wright M H (1981) Practical Optimization Academic Press
Pardalos P M and Schnitger G (1988) Checking local optimality in constrained quadratic programming is NP-hard Operations Research Letters7 33–35
5Arguments
1: – IntegerInput
On entry: , the number of variables.
Constraint:
.
2: – IntegerInput
On entry: , the number of general linear constraints.
Constraint:
.
3: – Real (Kind=nag_wp) arrayInput
Note: the second dimension of the array a
must be at least
if and at least if .
On entry: the
th row of a must contain the coefficients of the th general linear constraint, for .
On entry: the first dimension of the array a as declared in the (sub)program from which h02cbf is called.
Constraint:
.
5: – Real (Kind=nag_wp) arrayInput
6: – Real (Kind=nag_wp) arrayInput
On entry: bl must contain the lower bounds and bu the upper bounds, for all the constraints in the following order. The first elements of each array must contain the bounds on the variables, and the next elements the bounds for the general linear constraints (if any). To specify a nonexistent lower bound (i.e., ), set , and to specify a nonexistent upper bound (i.e., ), set ; the default value of is , but this may be changed by the Infinite Bound Size. To specify the th constraint as an equality, set , say, where .
Constraints:
, for ;
if , .
7: – Real (Kind=nag_wp) arrayInput
Note: the dimension of the array cvec
must be at least
if the problem is of type LP, QP2 (the default) or QP4, and at least otherwise.
On entry: the coefficients of the explicit linear term of the objective function when the problem is of type LP, QP2 (the default) and QP4.
If the problem is of type FP, QP1, or QP3, cvec is not referenced.
8: – Real (Kind=nag_wp) arrayInput
Note: the second dimension of the array h
must be at least
if it is to be used to store explicitly, and at least otherwise.
On entry: may be used to store the quadratic term of the QP objective function if desired. In some cases, you need not use h to store explicitly (see the specification of qphess). The elements of h are referenced only by qphess. The number of rows of is denoted by , whose default value is . (The Hessian Rows may be used to specify a value of .)
If the default version of qphess is used and the problem is of type QP1 or QP2 (the default), the first rows and columns of h must contain the leading rows and columns of the symmetric Hessian matrix . Only the diagonal and upper triangular elements of the leading rows and columns of h are referenced. The remaining elements need not be assigned.
If the default version of qphess is used and the problem is of type QP3 or QP4, the first rows of h must contain an upper trapezoidal factor of the symmetric Hessian matrix . The factor need not be of full rank, i.e., some of the diagonal elements may be zero. However, as a general rule, the larger the dimension of the leading nonsingular sub-matrix of h, the fewer iterations will be required. Elements outside the upper trapezoidal part of the first rows of h need not be assigned.
In other situations, it may be desirable to compute or without accessing h – for example, if or is sparse or has special structure. The arguments h and ldh may then refer to any convenient array.
If the problem is of type FP or LP, h is not referenced.
9: – IntegerInput
On entry: the first dimension of the array h as declared in the (sub)program from which h02cbf is called.
Constraints:
if the problem is of type QP1, QP2 (the default), QP3 or QP4, or at least the value of the optional parameter Hessian Rows ();
if the problem is of type FP or LP, .
10: – Subroutine, supplied by the NAG Library or the user.External Procedure
In general, you need not provide a version of qphess, because a ‘default’ subroutine with name e04nfu is included in the Library. However, the algorithm of h02cbf requires only the product of or and a vector ; and in some cases you may obtain increased efficiency by providing a version of qphess that avoids the need to define the elements of the matrices or explicitly. qphess is not referenced if the problem is of type FP or LP, in which case qphess may be the routine e04nfu.
On entry: this is the same argument n as supplied to h02cbf.
2: – IntegerInput
On entry: specifies whether or not the vector is a column of the identity matrix.
The vector is the th column of the identity matrix, and hence or is the th column of or , respectively, which may in some cases require very little computation and qphess may be coded to take advantage of this. However special code is not necessary because is always stored explicitly in the array x.
has no special form.
3: – Real (Kind=nag_wp) arrayInput
On entry: this is the same argument h as supplied to h02cbf.
4: – IntegerInput
On entry: this is the same argument ldh as supplied to h02cbf.
5: – Real (Kind=nag_wp) arrayInput
On entry: the vector .
6: – Real (Kind=nag_wp) arrayOutput
On exit: the product if the problem is of type QP1 or QP2 (the default), or the product if the problem is of type QP3 or QP4.
qphess must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which h02cbf is called. Arguments denoted as Input must not be changed by this procedure.
Note:qphess should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by h02cbf. If your code inadvertently does return any NaNs or infinities, h02cbf is likely to produce unexpected results.
11: – Integer arrayInput
On entry: must contain the index of the solution vector which is required to be integer. For example, if and are constrained to take integer values then might be set to and to . The order in which the indices are specified is important, since this determines the order in which the sub-problems are generated. As a rule-of-thumb, the important variables should always be specified first. Thus, in the above example, if relates to a more important quantity than , then it might be advantageous to set and . If is the smallest integer such that is less than or equal to zero then h02cbf assumes that variables are constrained to be integer; components , , are not referenced.
12: – IntegerInput
On entry: the dimension of the array intvar as declared in the (sub)program from which h02cbf is called. Often lintvr is the number of variables that are constrained to be integer.
Constraint:
.
13: – IntegerInput
On entry: the maximum depth (i.e., number of extra constraints) that h02cbf may insert before admitting failure.
Suggested value:
.
Constraint:
.
14: – Integer arrayInput/Output
On entry: need not be set if the (default) optional parameter Cold Start is used.
If the optional parameter Warm Start has been chosen, istate specifies the desired status of the constraints at the start of the feasibility phase. More precisely, the first elements of istate refer to the upper and lower bounds on the variables, and the next elements refer to the general linear constraints (if any). Possible values for are as follows:
Meaning
0
The corresponding constraint should not be in the initial working set.
1
The constraint should be in the initial working set at its lower bound.
2
The constraint should be in the initial working set at its upper bound.
3
The constraint should be in the initial working set as an equality. This value must not be specified unless .
The values , and are also acceptable but will be reset to zero by the routine. If h02cbf has been called previously with the same values of n and nclin, istate already contains satisfactory information. (See also the description of the optional parameter Warm Start.) The routine also adjusts (if necessary) the values supplied in xs to be consistent with istate.
Constraint:
, for .
On exit: the status of the constraints in the working set at the point returned in xs. The significance of each possible value of is as follows:
Meaning
The constraint violates its lower bound by more than the feasibility tolerance.
The constraint violates its upper bound by more than the feasibility tolerance.
The constraint is satisfied to within the feasibility tolerance, but is not in the working set.
This inequality constraint is included in the working set at its lower bound.
This inequality constraint is included in the working set at its upper bound.
This constraint is included in the working set as an equality. This value of istate can occur only when .
This corresponds to optimality being declared with being temporarily fixed at its current value. This value of istate can occur only when on exit.
15: – Real (Kind=nag_wp) arrayInput/Output
On entry: an initial estimate of the solution.
On exit: the point at which h02cbf terminated. If , or , xs contains an estimate of the solution.
16: – Real (Kind=nag_wp)Output
On exit: the value of the objective function at if is feasible, or the sum of infeasibilities at otherwise. If the problem is of type FP and is feasible, obj is set to zero.
17: – Real (Kind=nag_wp) arrayOutput
On exit: the final values of the linear constraints .
On exit: the values of the Lagrange-multipliers for each constraint with respect to the current working set. The first elements contain the multipliers for the bound constraints on the variables, and the next elements contain the multipliers for the general linear constraints (if any). If (i.e., constraint is not in the working set), is zero. If is optimal, should be non-negative if , non-positive if and zero if .
19: – IntegerInput
On entry: determines a branching strategy to be used throughout the computation, as follows:
Meaning
Always left branch first, i.e., impose an upper bound constraint on the variable first.
Always right branch first, i.e., impose a lower bound constraint on the variable first.
Branch towards the nearest integer, i.e., if then impose an upper bound constraint , whereas if then impose the lower bound constraint .
A random choice is made between a left-hand and a right-hand branch.
Constraint:
, , or .
20: – Integer arrayWorkspace
21: – IntegerInput
On entry: the dimension of the array iwrk as declared in the (sub)program from which h02cbf is called.
Constraint:
.
22: – Real (Kind=nag_wp) arrayWorkspace
23: – IntegerInput
On entry: the dimension of the array wrk as declared in the (sub)program from which h02cbf is called.
Constraints:
if the problem type is QP2 (the default) or QP4,
if , ;
if , ;
if the problem type is QP1 or QP3,
if , ;
if , ;
if the problem type is LP,
if , ;
if , ;
otherwise ;
if the problem type is FP,
if , ;
if , ;
otherwise .
24: – Subroutine, supplied by the NAG Library or the user.External Procedure
monit may be used to print out intermediate output and to affect the course of the computation. Specifically, it allows you to specify a realistic value for the cut-off value (see Section 3) and to terminate the algorithm. If you do not require any intermediate output, have no estimate of the cut-off value and require an exhaustive tree search then monit may be the dummy routine h02cbu.
On entry: specifies the number of integer solutions obtained so far.
2: – IntegerInput
On entry: specifies the number of nodes (sub-problems) solved so far.
3: – IntegerInput
On entry: specifies the depth in the tree of sub-problems the algorithm has now reached.
4: – Real (Kind=nag_wp)Input
On entry: specifies the value of the objective function of the end of the latest sub-problem.
5: – Real (Kind=nag_wp) arrayInput
On entry: specifies the values of the independent variables at the end of the latest sub-problem.
6: – Real (Kind=nag_wp)Input/Output
On entry: normally specifies the value of the best integer solution found so far.
On exit: may be set to a cut-off value if you are an experienced user as follows. Before an integer solution has been found bstval will be set by h02cbf to the largest machine representable number (see x02alf). If you know that the solution being sought is a much smaller number, then bstval may be set to this number as a cut-off value (see Section 3). Beware of setting bstval too small, since then no integer solutions will be discovered. Also, on entry to monit, bstval should be set using a statement of the form
if (intfnd == 0) bstval = cut_off_value
Setting bstval in this way will not prevent the normal operation of the algorithm when subsequent integer solutions are found. It would be a grievous mistake to unconditionally set bstval and if you have any doubts whatsoever about the correct use of this argument then you are strongly recommended to leave it unchanged.
7: – Real (Kind=nag_wp) arrayInput
On entry: specifies the solution vector which gives rise to the best integer solution value so far discovered.
8: – Real (Kind=nag_wp) arrayInput
On entry: specifies the current lower bounds on the variable .
9: – Real (Kind=nag_wp) arrayInput
On entry: specifies the current upper bounds on the variable .
10: – IntegerInput
On entry: specifies the number of variables.
11: – LogicalInput/Output
On entry: will have the value .FALSE..
On exit: if halt is set to .TRUE., e04nff/e04nfa will be brought to a halt with . This facility may be useful if you are content with any integer solution, or with any integer solution that fits certain criteria. Under these circumstances setting can save considerable unnecessary computation.
12: – IntegerInput/Output
On entry: unchanged from previous call.
On exit: may be used by you to save the last value of intfnd. If a subsequent call of monit has a value of intfnd which is greater than count, then you know that a new integer solution has been found at this node.
monit must either be a module subprogram USEd by, or declared as EXTERNAL in, the (sub)program from which h02cbf is called. Arguments denoted as Input must not be changed by this procedure.
Note:monit should not return floating-point NaN (Not a Number) or infinity values, since these are not handled by h02cbf. If your code inadvertently does return any NaNs or infinities, h02cbf is likely to produce unexpected results.
25: – IntegerInput/Output
On entry: ifail must be set to , or to set behaviour on detection of an error; these values have no effect when no error is detected.
A value of causes the printing of an error message and program execution will be halted; otherwise program execution continues. A value of means that an error message is printed while a value of means that it is not.
If halting is not appropriate, the value or is recommended. If message printing is undesirable, then the value is recommended. Otherwise, the value is recommended. When the value or is used it is essential to test the value of ifail on exit.
On exit: unless the routine detects an error or a warning has been flagged (see Section 6).
6Error Indicators and Warnings
If on entry or , explanatory error messages are output on the current error message unit (as defined by x04aaf).
Errors or warnings detected by the routine:
Invalid input argument for basic problem.
On entry, and .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: .
On entry, .
Constraint: , , or .
No integer solutions found.
(Check that bstval has not been set too small.)
Need to increase depth, .
Basic problem (without integer constraints) unbounded.
Basic problem is infeasible.
Basic problem requires too many iterations.
Basic problem has a reduced Hessian exceeding assigned dimensions.
An unexpected error has been triggered by this routine. Please
contact NAG.
See Section 7 in the Introduction to the NAG Library FL Interface for further information.
Your licence key may have expired or may not have been installed correctly.
See Section 8 in the Introduction to the NAG Library FL Interface for further information.
Dynamic memory allocation failed.
See Section 9 in the Introduction to the NAG Library FL Interface for further information.
7Accuracy
h02cbf implements a numerically stable active set strategy and returns solutions that are as accurate as the condition of the problem warrants on the machine.
8Parallelism and Performance
h02cbf is not thread safe and should not be called from a multithreaded user program. Please see Section 1 in FL Interface Multithreading for more information on thread safety.
h02cbf is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
h02cbf makes calls to BLAS and/or LAPACK routines, which may be threaded within the vendor library used by this implementation. Consult the documentation for the vendor library for further information.
Please consult the X06 Chapter Introduction for information on how to control and interrogate the OpenMP environment used within this routine. Please also consult the Users' Note for your implementation for any additional implementation-specific information.
9Further Comments
This section contains some comments on scaling and a description of the printed output.
9.1Scaling
Sensible scaling of the problem is likely to reduce the number of iterations required and make the problem less sensitive to perturbations in the data, thus improving the condition of the problem. In the absence of better information it is usually sensible to make the Euclidean lengths of each constraint of comparable magnitude. See Chapter E04 and Gill et al. (1981) for further information and advice.
9.2Description of the Printed Output
This section describes the (default) intermediate printout and final printout produced by h02cbf. The intermediate printout is a subset of the monitoring information produced by the routine at every iteration (see Section 13). You can control the level of printed output (see the description of the Print Level in Section 12.1). Note that the intermediate printout and final printout are produced only if (the default).
The following line of summary output ( characters) is produced at every iteration. In all cases, the values of the quantities printed are those in effect oncompletion of the given iteration.
Itn
is the iteration count.
Step
is the step taken along the computed search direction. If a constraint is added during the current iteration, Step will be the step to the nearest constraint. When the problem is of type LP, the step can be greater than during the optimality phase.
Ninf
is the number of violated constraints (infeasibilities). This will be zero during the optimality phase.
Sinf/Objective
is the value of the current objective function. If is not feasible, Sinf gives a weighted sum of the magnitudes of constraint violations. If is feasible, Objective is the value of the objective function. The output line for the final iteration of the feasibility phase (i.e., the first iteration for which Ninf is zero) will give the value of the true objective at the first feasible point.
During the optimality phase, the value of the objective function will be nonincreasing. During the feasibility phase, the number of constraint infeasibilities will not increase until either a feasible point is found, or the optimality of the multipliers implies that no feasible point exists. Once optimal multipliers are obtained, the number of infeasibilities can increase, but the sum of infeasibilities will either remain constant or be reduced until the minimum sum of infeasibilities is found.
Norm Gz
is , the Euclidean norm of the reduced gradient with respect to (see Sections 11.2 and 11.4). During the optimality phase, this norm will be approximately zero after a unit step.
The final printout includes a listing of the status of every variable and constraint.
The following describes the printout for each variable. A full stop (.) is printed for any numerical value that is zero.
A key is sometimes printed before State to give some additional information about the state of a variable.
Varbl
gives the name (V) and index , for , of the variable.
State
gives the state of the variable (FR if neither bound is in the working set, EQ if a fixed variable, LL if on its lower bound, UL if on its upper bound, TF if temporarily fixed at its current value). If Value lies outside the upper or lower bounds by more than the Feasibility Tolerance (, where is the machine precision; see Section 12.1), State will be ++ or -- respectively.
A
Alternative optimum possible. The variable is active at one of its bounds, but its Lagrange-multiplier is essentially zero. This means that if the variable were allowed to start moving away from its bound, there would be no change to the objective function. The values of the other free variables might change, giving a genuine alternative solution. However, if there are any degenerate variables (labelled D), the actual change might prove to be zero, since one of them could encounter a bound immediately. In either case the values of the Lagrange-multipliers might also change.
D
Degenerate. The variable is free, but it is equal to (or very close to) one of its bounds.
I
Infeasible. The variable is currently violating one of its bounds by more than the Feasibility Tolerance.
Value
is the value of the variable at the final iterate.
Lower Bound
is the lower bound specified for the variable. None indicates that .
Upper Bound
is the upper bound specified for the variable. None indicates that .
Slack
is the difference between the variable Value and the nearer of its (finite) bounds and . A blank entry indicates that the associated variable is not bounded (i.e., and ).
The meaning of the printout for general constraints is the same as that given above for variables, with ‘variable’ replaced by ‘constraint’, and are replaced by and respectively, and with the following change in the heading.
L Con
gives the name (L) and index , for , of the constraint.
Note that movement off a constraint (as opposed to a variable moving away from its bound) can be interpreted as allowing the entry in the Slack column to become positive.
Numerical values are output with a fixed number of digits; they are not guaranteed to be accurate to this precision.
10Example
This example minimizes the quadratic function , where
subject to the bounds
to the general constraints
and the variable is constrained to be integer.
The initial point, which is infeasible, is
The optimal solution (to five figures) is
The document for h02ccf includes an example program to solve the same problem using some of the optional parameters described in Section 12.
Note: the remainder of this document is intended for more advanced users. Section 11 contains a detailed description of the algorithm which may be needed in order to understand Sections 12 and 13. Section 12 describes the optional parameters which may be set by calls to h02ccfand/orh02cdf. Section 13 describes the quantities which can be requested to monitor the course of the computation.
11Algorithmic Details
h02cbf implements a basic branch and bound algorithm (see Section 3) using e04nff as its basic sub-problem solver. See below for details of its algorithm.
11.1Overview
h02cbf is based on an inertia-controlling method that maintains a Cholesky factorization of the reduced Hessian (see below). The method is based on that of Gill and Murray (1978), and is described in detail by Gill et al. (1991). Here we briefly summarise the main features of the method. Where possible, explicit reference is made to the names of variables that are arguments of h02cbf or appear in the printed output. h02cbf has two phases:
(i)finding an initial feasible point by minimizing the sum of infeasibilities (the feasibility phase), and
(ii)minimizing the quadratic objective function within the feasible region (the optimality phase).
The computations in both phases are performed by the same subroutines. The two-phase nature of the algorithm is reflected by changing the function being minimized from the sum of infeasibilities to the quadratic objective function. The feasibility phase does not perform the standard simplex method (i.e., it does not necessarily find a vertex), except in the LP case when . Once any iterate is feasible, all subsequent iterates remain feasible.
h02cbf has been designed to be efficient when used to solve a sequence of related problems – for example, within a sequential quadratic programming method for nonlinearly constrained optimization (e.g., e04wdf). In particular, you may specify an initial working set (the indices of the constraints believed to be satisfied exactly at the solution); see the discussion of the Warm Start in Section 12.1.
In general, an iterative process is required to solve a quadratic program. (For simplicity, we shall always consider a typical iteration and avoid reference to the index of the iteration.) Each new iterate is defined by
(1)
where the step length
is a non-negative scalar, and is called the search direction.
At each point , a working set of constraints is defined to be a linearly independent subset of the constraints that are satisfied ‘exactly’ (to within the tolerance defined by the Feasibility Tolerance; see Section 12.1). The working set is the current prediction of the constraints that hold with equality at the solution of a linearly constrained QP problem. The search direction is constructed so that the constraints in the working set remain unaltered for any value of the step length. For a bound constraint in the working set, this property is achieved by setting the corresponding element of the search direction to zero. Thus, the associated variable is fixed, and specification of the working set induces a partition of into fixed and free variables. During a given iteration, the fixed variables are effectively removed from the problem; since the relevant elements of the search direction are zero, the columns of corresponding to fixed variables may be ignored.
Let denote the number of general constraints in the working set and let denote the number of variables fixed at one of their bounds ( and are the quantities Lin and Bnd in the monitoring file output from h02cbf; see Section 13). Similarly, let () denote the number of free variables. At every iteration, the variables are reordered so that the lastvariables are fixed, with all other relevant vectors and matrices ordered accordingly.
11.2Definition of the Search Direction
Let denote the sub-matrix of general constraints in the working set corresponding to the free variables, and let denote the search direction with respect to the free variables only. The general constraints in the working set will be unaltered by any move along if
(2)
In order to compute , the factorization of is used:
(3)
where is a nonsingular upper triangular matrix (i.e., if ), and the nonsingular matrix is the product of orthogonal transformations (see Gill et al. (1984)). If the columns of are partitioned so that
where is , then the columns of form a basis for the null space of . Let be an integer such that , and let denote a matrix whose columns are a subset of the columns of . (The integer is the quantity Zr in the monitoring output from h02cbf. In many cases, will include all the columns of .) The direction will satisfy (2) if
(4)
where is any -vector.
Let denote the matrix
where is the identity matrix of order . Let and denote the
transformed Hessian and transformed gradient
and let the matrix of first rows and columns of be denoted by and the vector of the first elements of be denoted by . The quantities and are known as the reduced Hessian and reduced gradient of , respectively. Roughly speaking, and describe the first and second derivatives of an unconstrained problem for the calculation of .
At each iteration, a triangular factorization of is available. If is positive definite, , where is the upper triangular Cholesky factor of . If is not positive definite, , where , with .
The computation is arranged so that the reduced-gradient vector is a multiple of , a vector of all zeros except in the last (i.e., th) position. This allows the vector in (4) to be computed from a single back-substitution
(5)
where is a scalar that depends on whether or not the reduced Hessian is positive definite at . In the positive definite case, is the minimizer of the objective function subject to the constraints (bounds and general) in the working set treated as equalities. If is not positive definite, satisfies the conditions
which allow the objective function to be reduced by any positive step of the form .
11.3The Main Iteration
If the reduced gradient is zero, is a constrained stationary point in the subspace defined by . During the feasibility phase, the reduced gradient will usually be zero only at a vertex (although it may be zero at non-vertices in the presence of constraint dependencies). During the optimality phase, a zero reduced gradient implies that minimizes the quadratic objective when the constraints in the working set are treated as equalities. At a constrained stationary point, Lagrange-multipliers and for the general and bound constraints are defined from the equations
(6)
Given a positive constant of the order of the machine precision, a Lagrange-multiplier corresponding to an inequality constraint in the working set is said to be optimal if when the associated constraint is at its upper bound, or if when the associated constraint is at its lower bound. If a multiplier is nonoptimal, the objective function (either the true objective or the sum of infeasibilities) can be reduced by deleting the corresponding constraint (with index Jdel; see Section 13) from the working set.
If optimal multipliers occur during the feasibility phase and the sum of infeasibilities is nonzero, there is no feasible point, and you can force h02cbf to continue until the minimum value of the sum of infeasibilities has been found; see the discussion of the Minimum Sum of Infeasibilities in Section 12.1. At such a point, the Lagrange-multiplier corresponding to an inequality constraint in the working set will be such that when the associated constraint is at its upper bound, and when the associated constraint is at its lower bound. Lagrange-multipliers for equality constraints will satisfy .
If the reduced gradient is not zero, Lagrange-multipliers need not be computed and the nonzero elements of the search direction are given by (see (4) and (5)). The choice of step length is influenced by the need to maintain feasibility with respect to the satisfied constraints. If is positive definite and is feasible, will be taken as unity. In this case, the reduced gradient at will be zero, and Lagrange-multipliers are computed. Otherwise, is set to , the step to the ‘nearest’ constraint (with index Jadd; see Section 13), which is added to the working set at the next iteration.
Each change in the working set leads to a simple change to : if the status of a general constraint changes, a row of is altered; if a bound constraint enters or leaves the working set, a column of changes. Explicit representations are recurred of the matrices , and ; and of vectors , and . The triangular factor associated with the reduced Hessian is only updated during the optimality phase.
One of the most important features of h02cbf is its control of the conditioning of the working set, whose nearness to linear dependence is estimated by the ratio of the largest to smallest diagonal elements of the factor (the printed value Cond T; see Section 13). In constructing the initial working set, constraints are excluded that would result in a large value of Cond T.
h02cbf includes a rigorous procedure that prevents the possibility of cycling at a point where the active constraints are nearly linearly dependent (see Gill et al. (1989)). The main feature of the anti-cycling procedure is that the feasibility tolerance is increased slightly at the start of every iteration. This not only allows a positive step to be taken at every iteration, but also provides, whenever possible, a choice of constraints to be added to the working set. Let denote the maximum step at which does not violate any constraint by more than its feasibility tolerance. All constraints at a distance () along from the current point are then viewed as acceptable candidates for inclusion in the working set. The constraint whose normal makes the largest angle with the search direction is added to the working set.
11.4Choosing the Initial Working Set
At the start of the optimality phase, a positive definite can be defined if enough constraints are included in the initial working set. (The matrix with no rows and columns is positive definite by definition, corresponding to the case when contains constraints.) The idea is to include as many general constraints as necessary to ensure that the reduced Hessian is positive definite.
Let denote the matrix of the first rows and columns of the matrix at the beginning of the optimality phase. A partial Cholesky factorization is used to find an upper triangular matrix that is the factor of the largest positive definite leading sub-matrix of . The use of interchanges during the factorization of tends to maximize the dimension of . (The condition of may be controlled using the Rank Tolerance. Let denote the columns of corresponding to , and let be partitioned as . A working set for which defines the null space can be obtained by including the rows of
as ‘artificial constraints’. Minimization of the objective function then proceeds within the subspace defined by , as described in Section 11.2.
The artificially augmented working set is given by
(7)
so that will satisfy
and
. By definition of the factorization,
automatically satisfies the following:
where
and hence the factorization of (7) is available trivially from and without additional expense.
The matrix is not kept fixed, since its role is purely to define an appropriate null space; the factorization can, therefore, be updated in the normal fashion as the iterations proceed. No work is required to ‘delete’ the artificial constraints associated with when , since this simply involves repartitioning . The ‘artificial’ multiplier vector associated with the rows of is equal to , and the multipliers corresponding to the rows of the ‘true’ working set are the multipliers that would be obtained if the artificial constraints were not present. If an artificial constraint is ‘deleted’ from the working set, an A appears alongside the entry in the Jdel column of the monitoring file output (see Section 13).
The number of columns in and , the Euclidean norm of , and the condition estimator of appear in the monitoring file output as Art, Zr, Norm Gz and Cond Rz respectively (see Section 13).
Under some circumstances, a different type of artificial constraint is used when solving a linear program. Although the algorithm of h02cbf does not usually perform simplex steps (in the traditional sense), there is one exception: a linear program with fewer general constraints than variables (i.e., ). (Use of the simplex method in this situation leads to savings in storage.) At the starting point, the ‘natural’ working set (the set of constraints exactly or nearly satisfied at the starting point) is augmented with a suitable number of ‘temporary’ bounds, each of which has the effect of temporarily fixing a variable at its current value. In subsequent iterations, a temporary bound is treated as a standard constraint until it is deleted from the working set, in which case it is never added again. If a temporary bound is ‘deleted’ from the working set, an F (for ‘Fixed’) appears alongside the entry in the Jdel column of the monitoring file output (see Section 13).
12Optional Parameters
Several optional parameters in h02cbf define choices in the problem specification or the algorithm logic. In order to reduce the number of formal arguments of h02cbf these optional parameters have associated default values that are appropriate for most problems. Therefore, you need only specify those optional parameters whose values are to be different from their default values.
The remainder of this section can be skipped if you wish to use the default values for all optional parameters.
The following is a list of the optional parameters available. A full description of each optional parameter is provided in Section 12.1.
Optional parameters may be specified by calling one, or both, of the routines h02ccfandh02cdf prior to a call to h02cbf.
h02ccf reads options from an external options file, with Begin and End as the first and last lines respectively and each intermediate line defining a single optional parameter. For example,
Begin
Print Level = 5
End
The call
Call h02ccf(ioptns, inform)
can then be used to read the file on unit ioptns. inform will be zero on successful exit.
h02ccf should be consulted for a full description of this method of supplying optional parameters.
h02cdf can be called to supply options directly, one call being necessary for each optional parameter.
For example,
Call h02cdf ('Print Level = 5')
h02cdf should be consulted for a full description of this method of supplying optional parameters.
All optional parameters not specified by you are set to their default values. Optional parameters specified by you are unaltered by h02cbf (unless they define invalid values) and so remain in effect for subsequent calls unless altered by you.
12.1Description of the Optional Parameters
For each option, we give a summary line, a description of the optional parameter and details of constraints.
The summary line contains:
the keywords, where the minimum abbreviation of each keyword is underlined (if no characters of an optional qualifier are underlined, the qualifier may be omitted);
a parameter value,
where the letters , and denote options that take character, integer and real values respectively;
the default value, where the symbol is a generic notation for machine precision (see x02ajf).
Keywords and character values are case and white space insensitive.
Check Frequency
Default
Every th iteration, a numerical test is made to see if the current solution satisfies the constraints in the working set. If the largest residual of the constraints in the working set is judged to be too large, the current working set is refactorized and the variables are recomputed to satisfy the constraints more accurately. If , the default value is used.
Cold Start
Default
Warm Start
This option specifies how the initial working set is chosen. With a Cold Start, h02cbf chooses the initial working set based on the values of the variables and constraints at the initial point. Broadly speaking, the initial working set will include equality constraints and bounds or inequality constraints that violate or ‘nearly’ satisfy their bounds (to within Crash Tolerance).
With a Warm Start, you must provide a valid definition of every element of the array istate (see Section 5 for the definition of this array). h02cbf will override your specification of istate if necessary, so that a poor choice of the working set will not cause a fatal error. For instance, any elements of istate which are set to , or will be reset to zero, as will any elements which are set to when the corresponding elements of bl and bu are not equal. A warm start will be advantageous if a good estimate of the initial working set is available – for example, when h02cbf is called repeatedly to solve related problems.
Crash Tolerance
Default
This value is used in conjunction with the optional parameter Cold Start (the default value) when h02cbf selects an initial working set. If , the initial working set will include (if possible) bounds or general inequality constraints that lie within of their bounds. In particular, a constraint of the form will be included in the initial working set if . If or , the default value is used.
Defaults
This special keyword may be used to reset all optional parameters to their default values.
Expand Frequency
Default
This option is part of an anti-cycling procedure designed to guarantee progress even on highly degenerate problems.
The strategy is to force a positive step at every iteration, at the expense of violating the constraints by a small amount. Suppose that the value of the optional parameter Feasibility Tolerance is . Over a period of iterations, the feasibility tolerance actually used by h02cbf (i.e., the working feasibility tolerance) increases from to (in steps of ).
At certain stages the following ‘resetting procedure’ is used to remove constraint infeasibilities. First, all variables whose upper or lower bounds are in the working set are moved exactly onto their bounds. A count is kept of the number of nontrivial adjustments made. If the count is positive, iterative refinement is used to give variables that satisfy the working set to (essentially) machine precision. Finally, the working feasibility tolerance is reinitialized to .
If a problem requires more than iterations, the resetting procedure is invoked and a new cycle of iterations is started with incremented by . (The decision to resume the feasibility phase or optimality phase is based on comparing any constraint infeasibilities with .)
The resetting procedure is also invoked when h02cbf reaches an apparently optimal, infeasible or unbounded solution, unless this situation has already occurred twice. If any nontrivial adjustments are made, iterations are continued.
If , the default value is used. If , no anti-cycling procedure is invoked.
Feasibility Phase Iteration Limit
Default
Optimality Phase Iteration Limit
Default
The scalars and specify the maximum number of iterations allowed in the feasibility and optimality phases. Optimality Phase Iteration Limit is equivalent to Iteration Limit. Setting and means that the workspace needed will be computed and printed, but no iterations will be performed. If or , the default value is used.
Feasibility Tolerance
Default
If , defines the maximum acceptable absolute violation in each constraint at a ‘feasible’ point. For example, if the variables and the coefficients in the general constraints are of order unity, and the latter are correct to about decimal digits, it would be appropriate to specify as . If , the default value is used.
h02cbf attempts to find a feasible solution before optimizing the objective function. If the sum of infeasibilities cannot be reduced to zero, the Minimum Sum of Infeasibilities can be used to find the minimum value of the sum. Let Sinf be the corresponding sum of infeasibilities. If Sinf is quite small, it may be appropriate to raise by a factor of or . Otherwise, some error in the data should be suspected.
Note that a ‘feasible solution’ is a solution that satisfies the current constraints to within the tolerance .
Hessian Rows
Default
Note that this option does not apply to problems of type FP or LP.
This specifies , the number of rows of the Hessian matrix . The default value of is , the number of variables of the problem.
If the problem is of type QP, will usually be , the number of variables. However, a value of less than is appropriate for QP3 or QP4 if is an upper trapezoidal matrix with rows. Similarly, may be used to define the dimension of a leading block of nonzeros in the Hessian matrices of QP1 or QP2, in which case the last rows and columns of are assumed to be zero. In the QP case, should not be greater than ; if it is, the last rows of are ignored.
If or , the default value is used.
Infinite Bound Size
Default
If , defines the ‘infinite’ bound in the definition of the problem constraints. Any upper bound greater than or equal to will be regarded as (and similarly any lower bound less than or equal to will be regarded as ). If , the default value is used.
Infinite Step Size
Default
If , specifies the magnitude of the change in variables that will be considered a step to an unbounded solution. (Note that an unbounded solution can occur only when the Hessian is not positive definite.) If the change in during an iteration would exceed the value of , the objective function is considered to be unbounded below in the feasible region. If , the default value is used.
Optional parameter List enables printing of each optional parameter specification as it is supplied. Nolist suppresses this printing.
Maximum Degrees of Freedom
Default
Note that this option does not apply to problems of type FP or LP.
This places a limit on the storage allocated for the triangular factor of the reduced Hessian . Ideally, should be set slightly larger than the value of expected at the solution. It need not be larger than , where is the number of variables that appear nonlinearly in the quadratic objective function. For many problems it can be much smaller than .
For quadratic problems, a minimizer may lie on any number of constraints, so that may vary between and . The default value of is, therefore, the number of variables . If Hessian Rows is specified, the default value of is the same number, .
Minimum Sum of Infeasibilities
Default
If no feasible point exists for the constraints, this option is used to control whether or not h02cbf will calculate a point that minimizes the constraint violations. If , h02cbf will terminate as soon as it is evident that no feasible point exists for the constraints. The final point will generally not be the point at which the sum of infeasibilities is minimized. If , h02cbf will continue until the sum of infeasibilities is minimized.
Monitoring File
Default
If and , monitoring information produced by h02cbf at every iteration is sent to a file with logical unit number . If and/or , no monitoring information is produced.
Optimality Tolerance
Default
If , defines the tolerance used to determine if the bounds and general constraints have the right ‘sign’ for the solution to be judged to be optimal.
If , the default value is used.
Print Level
Default
The value of controls the amount of printout produced by h02cbf, as indicated below. A detailed description of the printed output is given in Section 9.2 (summary output at each iteration and the final solution) and Section 13 (monitoring information at each iteration). If , the default value is used.
The following printout is sent to the current advisory message unit (as defined by x04abf):
Output
No output.
The final solution only.
One line of summary output ( characters; see Section 9.2) for each iteration (no printout of the final solution).
The final solution and one line of summary output for each iteration.
The following printout is sent to the logical unit number defined by the Monitoring File:
Output
No output.
One long line of output ( characters; see Section 13) for each iteration (no printout of the final solution).
At each iteration, the Lagrange-multipliers, the variables , the constraint values and the constraint status.
At each iteration, the diagonal elements of the upper triangular matrix associated with the factorization (3) (see Section 11.2) of the working set, and the diagonal elements of the upper triangular matrix .
If and the unit number defined by Monitoring File is the same as that defined by x04abf, then the summary output is suppressed.
Problem Type
Default QP2
This option specifies the type of objective function to be minimized during the optimality phase. The following are the five optional keywords and the dimensions of the arrays that must be specified in order to define the objective function:
For problems of type FP, the objective function is omitted and neither h nor cvec are referenced.
The following keywords are also acceptable. The minimum abbreviation of each keyword is underlined.
Option
Quadratic
QP2
Linear
LP
Feasible
FP
In addition, the keyword QP is equivalent to the default option QP2.
If , i.e., the objective function is purely linear, the efficiency of h02cbf may be increased by specifying as LP.
Rank Tolerance
Default
Note that this option does not apply to problems of type FP or LP.
This parameter enables you to control the condition number of the triangular factor (see Section 11). If denotes the function , the dimension of is defined to be smallest index such that . If , the default value is used.
13Description of Monitoring Information
This section describes the long line of output ( characters) which forms part of the monitoring information produced by h02cbf. (See also the description of the optional parameters Monitoring File and Print Level in Section 12.1.) You can control the level of printed output.
To aid interpretation of the printed results, the following convention is used for numbering the constraints: indices through refer to the bounds on the variables, and indices through refer to the general constraints. When the status of a constraint changes, the index of the constraint is printed, along with the designation L (lower bound), U (upper bound), E (equality), F (temporarily fixed variable) or A (artificial constraint).
When and , the following line of output is produced at every iteration on the unit number specified by Monitoring File. In all cases, the values of the quantities printed are those in effect oncompletion of the given iteration.
Itn
is the iteration count.
Jdel
is the index of the constraint deleted from the working set. If Jdel is zero, no constraint was deleted.
Jadd
is the index of the constraint added to the working set. If Jadd is zero, no constraint was added.
Step
is the step taken along the computed search direction. If a constraint is added during the current iteration, Step will be the step to the nearest constraint. When the problem is of type LP, the step can be greater than during the optimality phase.
Ninf
is the number of violated constraints (infeasibilities). This will be zero during the optimality phase.
Sinf/Objective
is the value of the current objective function. If is not feasible, Sinf gives a weighted sum of the magnitudes of constraint violations. If is feasible, Objective is the value of the objective function. The output line for the final iteration of the feasibility phase (i.e., the first iteration for which Ninf is zero) will give the value of the true objective at the first feasible point.
During the optimality phase, the value of the objective function will be nonincreasing. During the feasibility phase, the number of constraint infeasibilities will not increase until either a feasible point is found, or the optimality of the multipliers implies that no feasible point exists. Once optimal multipliers are obtained, the number of infeasibilities can increase, but the sum of infeasibilities will either remain constant or be reduced until the minimum sum of infeasibilities is found.
Bnd
is the number of simple bound constraints in the current working set.
Lin
is the number of general linear constraints in the current working set.
Art
is the number of artificial constraints in the working set, i.e., the number of columns of (see Section 11.4).
Zr
is the number of columns of (see Section 11.2). Zr is the dimension of the subspace in which the objective function is currently being minimized. The value of Zr is the number of variables minus the number of constraints in the working set; i.e., .
The value of , the number of columns of (see Section 11.2) can be calculated as . A zero value of implies that lies at a vertex of the feasible region.
Norm Gz
is , the Euclidean norm of the reduced gradient with respect to (see Sections 11.2 and 11.4). During the optimality phase, this norm will be approximately zero after a unit step.
NOpt
is the number of nonoptimal Lagrange-multipliers at the current point. NOpt is not printed if the current is infeasible or no multipliers have been calculated. At a minimizer, NOpt will be zero.
Min Lm
is the value of the Lagrange-multiplier associated with the deleted constraint. If Min Lm is negative, a lower bound constraint has been deleted, if Min Lm is positive, an upper bound constraint has been deleted. If no multipliers are calculated during a given iteration, Min Lm will be zero.
Cond T
is a lower bound on the condition number of the working set.
Cond Rz
is a lower bound on the condition number of the triangular factor (the Cholesky factor of the current reduced Hessian; see Section 11.2). If the problem is specified to be of type LP, Cond Rz is not printed.
Rzz
is the last diagonal element of the matrix associated with the factorization of the reduced Hessian (see Section 11.2). Rzz is only printed if is not positive definite (in which case ). If the printed value of Rzz is small in absolute value, then is approximately singular. A negative value of Rzz implies that the objective function has negative curvature on the current working set.