The basic idea is to convert a constrained problem into a form such that thederivative test of an unconstrained problem can still be applied. The relationship between the gradient of the function and gradients of the constraints rather naturally leads to a reformulation of the original problem, known as theLagrangian function or Lagrangian.[2] In the general case, the Lagrangian is defined as
for functions; the notation denotes aninner product. The value is called theLagrange multiplier.
In simple cases, where the inner product is defined as thedot product, the Lagrangian is
The method can be summarized as follows: in order to find the maximum or minimum of a function subject to the equality constraint, find thestationary points of considered as a function of and the Lagrange multiplier. This means that allpartial derivatives should be zero, including the partial derivative with respect to.[3]
The great advantage of this method is that it allows the optimization to be solved without explicitparameterization in terms of the constraints. As a result, the method of Lagrange multipliers is widely used to solve challenging constrained optimization problems. Further, the method of Lagrange multipliers is generalized by theKarush–Kuhn–Tucker conditions, which can also take into account inequality constraints of the form for a given constant.
The following is known as the Lagrange multiplier theorem.[7]
Let be theobjective function and let be the constraints function, both belonging to (that is, having continuous first derivatives). Let be an optimal solution to the following optimization problem such that, for the matrix of partial derivatives,:
Then there exists a unique Lagrange multiplier such that (In this equation, is a column vector, so its transpose is a row vector. Alternatively, we can redefine the Lagrange multiplier directly as a row vector and thus avoid the transposition.)
The Lagrange multiplier theorem states that at any local maximum (or minimum) of the function evaluated under the equality constraints, if constraint qualification applies (explained below), then thegradient of the function (at that point) can be expressed as alinear combination of the gradients of the constraints (at that point), with the Lagrange multipliers acting ascoefficients.[8] This is equivalent to saying that any direction perpendicular to all gradients of the constraints is also perpendicular to the gradient of the function. Or still, saying that thedirectional derivative of the function is0 in every feasible direction.
Figure 1: The red curve shows the constraintg(x,y) =c. The blue curves are contours off(x,y). The point where the red constraint tangentially touches a blue contour is the maximum off(x,y) along the constraint, sinced1 >d2.
For the case of only one constraint and only two choice variables (as exemplified in Figure 1), consider theoptimization problem(Sometimes an additive constant is shown separately rather than being included in, in which case the constraint is written as in Figure 1.) We assume that both and have continuous firstpartial derivatives. We introduce a new variable () called aLagrange multiplier (orLagrange undetermined multiplier) and study theLagrange function (orLagrangian orLagrangian expression) defined bywhere the term may be either added or subtracted. If is a maximum of for the original constrained problem and then there exists such that () is astationary point for the Lagrange function (stationary points are those points where the first partial derivatives of are zero). The assumption is called constraint qualification. However, not all stationary points yield a solution of the original problem, as the method of Lagrange multipliers yields only anecessary condition for optimality in constrained problems.[9][10][11][12][13] Sufficient conditions for a minimum or maximumalso exist, but if a particularcandidate solution satisfies the sufficient conditions, it is only guaranteed that that solution is the best onelocally – that is, it is better than any permissible nearby points. Theglobal optimum can be found by comparing the values of the original objective function at the points satisfying the necessary and locally sufficient conditions.
The method of Lagrange multipliers relies on the intuition that at a maximum,f(x,y) cannot be increasing in the direction of any such neighboring point that also hasg = 0. If it were, we could walk alongg = 0 to get higher, meaning that the starting point wasn't actually the maximum. Viewed in this way, it is an exact analogue to testing if the derivative of an unconstrained function is0, that is, we are verifying that the directional derivative is 0 in any relevant (viable) direction.
We can visualizecontours off given byf(x,y) =d for various values ofd, and the contour ofg given byg(x,y) =c.
Suppose we walk along the contour line withg =c . We are interested in finding points wheref almost does not change as we walk, since these points might be maxima.
There are two ways this could happen:
We could touch a contour line off, since by definitionf does not change as we walk along its contour lines. This would mean that the tangents to the contour lines off andg are parallel here.
We have reached a "level" part off, meaning thatf does not change in any direction.
To check the first possibility (we touch a contour line off), notice that since thegradient of a function is perpendicular to the contour lines, the tangents to the contour lines off andg are parallel if and only if the gradients off andg are parallel. Thus we want points(x,y) whereg(x,y) =c andfor some whereare the respective gradients. The constant is required because although the two gradient vectors are parallel, the magnitudes of the gradient vectors are generally not equal. This constant is called the Lagrange multiplier. (In some conventions is preceded by a minus sign).
Notice that this method also solves the second possibility, thatf is level: iff is level, then its gradient is zero, and setting is a solution regardless of.
To incorporate these conditions into one equation, we introduce an auxiliary functionand solveNote that this amounts to solving three equations in three unknowns. This is the method of Lagrange multipliers.
Note that implies as the partial derivative of with respect to is
To summarizeThe method generalizes readily to functions on variableswhich amounts to solvingn + 1 equations inn + 1 unknowns.
The constrained extrema off arecritical points of the Lagrangian, but they are not necessarilylocal extrema of (see§ Example 2 below).
The fact that solutions of the method of Lagrange multipliers are not necessarily extrema of the Lagrangian, also poses difficulties for numerical optimization. This can be addressed by minimizing themagnitude of the gradient of the Lagrangian, as these minima are the same as the zeros of the magnitude, as illustrated inExample 5: Numerical optimization.
Figure 2: A paraboloid constrained along two intersecting lines.Figure 3: Contour map of Figure 2.
The method of Lagrange multipliers can be extended to solve problems with multiple constraints using a similar argument. Consider aparaboloid subject to two line constraints that intersect at a single point. As the only feasible solution, this point is obviously a constrained extremum. However, thelevel set of is clearly not parallel to either constraint at the intersection point (see Figure 3); instead, it is a linear combination of the two constraints' gradients. In the case of multiple constraints, that will be what we seek in general: The method of Lagrange seeks points not at which the gradient of is a multiple of any single constraint's gradient necessarily, but in which it is a linear combination of all the constraints' gradients.
Concretely, suppose we have constraints and are walking along the set of points satisfying Every point on the contour of a given constraint function has a space of allowable directions: the space of vectors perpendicular to The set of directions that are allowed by all constraints is thus the space of directions perpendicular to all of the constraints' gradients. Denote this space of allowable moves by and denote the span of the constraints' gradients by Then the space of vectors perpendicular to every element of
We are still interested in finding points where does not change as we walk, since these points might be (constrained) extrema. We therefore seek such that any allowable direction of movement away from is perpendicular to (otherwise we could increase by moving along that allowable direction). In other words, Thus there are scalars such that
These scalars are the Lagrange multipliers. We now have of them, one for every constraint.
As before, we introduce an auxiliary functionand solvewhich amounts to solving equations in unknowns.
The constraint qualification assumption when there are multiple constraints is that the constraint gradients at the relevant point are linearly independent.
The problem of finding the local maxima and minima subject to constraints can be generalized to finding local maxima and minima on adifferentiable manifold[14] In what follows, it is not necessary that be a Euclidean space, or even aRiemannian manifold. All appearances of the gradient (which depends on a choice of Riemannian metric) can be replaced with theexterior derivative
Let be asmooth manifold of dimension Suppose that we wish to find the stationary points of a smooth function when restricted to the submanifold defined by where is a smooth function for which0 is aregular value.
Let and be theexterior derivatives of and. Stationarity for the restriction at means Equivalently, the kernel contains In other words, and are proportional 1-forms. For this it is necessary and sufficient that the following system of equations holds:where denotes theexterior product. The stationary points are the solutions of the above system of equations plus the constraint Note that the equations are not independent, since the left-hand side of the equation belongs to the subvariety of consisting ofdecomposable elements.
In this formulation, it is not necessary to explicitly find the Lagrange multiplier, a number such that
Let and be as in the above section regarding the case of a single constraint. Rather than the function described there, now consider a smooth function with component functions for which is aregular value. Let be the submanifold of defined by
is a stationary point of if and only if contains For convenience let and where denotes the tangent map or Jacobian ( can be canonically identified with). The subspace has dimension smaller than that of, namely and belongs to if and only if belongs to the image of Computationally speaking, the condition is that belongs to the row space of the matrix of or equivalently the column space of the matrix of (the transpose). If denotes the exterior product of the columns of the matrix of the stationary condition for at becomesOnce again, in this formulation it is not necessary to explicitly find the Lagrange multipliers, the numbers such that
In this section, we modify the constraint equations from the form to the form where the arem real constants that are considered to be additional arguments of the Lagrangian expression.
Often the Lagrange multipliers have an interpretation as some quantity of interest. For example, by parametrising the constraint's contour line, that is, if the Lagrangian expression isthen
So,λk is the rate of change of the quantity being optimized as a function of the constraint parameter.As examples, inLagrangian mechanics the equations of motion are derived by finding stationary points of theaction, the time integral of the difference between kinetic and potential energy. Thus, the force on a particle due to a scalar potential,F = −∇V, can be interpreted as a Lagrange multiplier determining the change in action (transfer of potential to kinetic energy) following a variation in the particle's constrained trajectory. In control theory this is formulated instead ascostate equations.
Moreover, by theenvelope theorem the optimal value of a Lagrange multiplier has an interpretation as the marginal effect of the corresponding constraint constant upon the optimal attainable value of the original objective function: If we denote values at the optimum with a star (), then it can be shown that
For example, in economics the optimal profit to a player is calculated subject to a constrained space of actions, where a Lagrange multiplier is the change in the optimal value of the objective function (profit) due to the relaxation of a given constraint (e.g. through a change in income); in such a context is themarginal cost of the constraint, and is referred to as theshadow price.[15]
Sufficient conditions for a constrained local maximum or minimum can be stated in terms of a sequence of principal minors (determinants of upper-left-justified sub-matrices) of the borderedHessian matrix of second derivatives of the Lagrangian expression.[6][16]
Illustration of the constrained optimization problem 1
Suppose we wish to maximize subject to the constraint Thefeasible set is the unit circle, and thelevel sets off are diagonal lines (with slope −1), so we can see graphically that the maximum occurs at and that the minimum occurs at
For the method of Lagrange multipliers, the constraint ishence the Lagrangian function,is a function that is equivalent to when is set to0.
Now we can calculate the gradient:and therefore:
Notice that the last equation is the original constraint.
The first two equations yieldBy substituting into the last equation we have:sowhich implies that the stationary points of are
Evaluating the objective functionf at these points yields
Thus the constrained maximum is and the constrained minimum is.
Illustration of the constrained optimization problem 2
Now we modify the objective function of Example 1 so that we minimize instead of again along the circle Now the level sets of are still lines of slope −1, and the points on the circle tangent to these level sets are again and These tangency points are maxima of
On the other hand, the minima occur on the level set for (since by its construction cannot take negative values), at and where the level curves of are not tangent to the constraint. The condition that correctly identifies all four points as extrema; the minima are characterized in by and the maxima by
Illustration of constrained optimization problem 3.
This example deals with more strenuous calculations, but it is still a single constraint problem.
Suppose one wants to find the maximum values ofwith the condition that the- and-coordinates lie on the circle around the origin with radius That is, subject to the constraint
As there is just a single constraint, there is a single multiplier, say
The constraint is identically zero on the circle of radius Any multiple of may be added to leaving unchanged in the region of interest (on the circle where our original constraint is satisfied).
Applying the ordinary Lagrange multiplier method yieldsfrom which the gradient can be calculated:And therefore:(iii) is just the original constraint. (i) implies or If then by (iii) and consequently from (ii). If substituting this into (ii) yields Substituting this into (iii) and solving for gives Thus there are six critical points of
Evaluating the objective at these points, one finds that
Note that while is a critical point of it is not a local extremum of We have
Given any neighbourhood of one can choose a small positive and a small of either sign to get values both greater and less than This can also be seen from the Hessian matrix of evaluated at this point (or indeed at any of the critical points) which is anindefinite matrix. Each of the critical points of is asaddle point of[4]
For this to be a probability distribution the sum of the probabilities at each point must equal 1, so our constraint is:
We use Lagrange multipliers to find the point of maximum entropy, across all discrete probability distributions on We require that:which gives a system ofn equations, such that:
Carrying out the differentiation of thesen equations, we get
This shows that all are equal (because they depend onλ only). By using the constraintwe find
Hence, the uniform distribution is the distribution with the greatest entropy, among distributions onn points.
Lagrange multipliers cause the critical points to occur at saddle points (Example 5).The magnitude of the gradient can be used to force the critical points to occur at local minima (Example 5).
The critical points of Lagrangians occur atsaddle points, rather than at local maxima (or minima).[4][17] Unfortunately, many numerical optimization techniques, such ashill climbing,gradient descent, some of thequasi-Newton methods, among others, are designed to find local maxima (or minima) and not saddle points. For this reason, one must either modify the formulation to ensure that it's a minimization problem (for example, by extremizing the square of thegradient of the Lagrangian as below), or else use an optimization technique that findsstationary points (such asNewton's method without an extremum seekingline search) and not necessarily extrema.
As a simple example, consider the problem of finding the value ofx that minimizes constrained such that (This problem is somewhat untypical because there are only two values that satisfy this constraint, but it is useful for illustration purposes because the corresponding unconstrained function can be visualized in three dimensions.)
Using Lagrange multipliers, this problem can be converted into an unconstrained optimization problem:
The two critical points occur at saddle points wherex = 1 andx = −1.
In order to solve this problem with a numerical optimization technique, we must first transform this problem such that the critical points occur at local minima. This is done by computing the magnitude of the gradient of the unconstrained optimization problem.
First, we compute the partial derivative of the unconstrained problem with respect to each variable:
If the target function is not easily differentiable, the differential with respect to each variable can be approximated aswhere is a small value.
Next, we compute the magnitude of the gradient, which is the square root of the sum of the squares of the partial derivatives:
(Since magnitude is always non-negative, optimizing over the squared-magnitude is equivalent to optimizing over the magnitude. Thus, the "square root" may be omitted from these equations with no expected difference in the results of optimization.)
The critical points ofh occur atx = 1 andx = −1, just as in Unlike the critical points in however, the critical points inh occur at local minima, so numerical optimization techniques can be used to find them.
InLagrangian Mechanics, the Euler-Lagrange equations can be augmented with Lagrange multipliers as a method to impose physical constraints on systems.[18] This method is not required in general, because an alternative method is to choose a set of linearly independent generalised coordinates such that the constraints are implicitly imposed.
The method of Lagrange multipliers is useful when it is difficult to write the Lagrangian in terms of a set of linearly independent generalised coordinates. For example, for use in programmatic dynamical systems modelling algorithms, or for use in modelling systems with closed kinematic chains.[20] They are also useful for imposing non-holonomic constraints.[18][20]
Given a set of holonomic constraint equations, the Euler-Lagrange equations with Lagrange multipliers can be written as[18][19]
The meaning of can be interpreted by moving it to the other side of the equation and absorbing it into the generalised force term. In this interpretation, the system has number of additional degrees of freedom, and there are no additionally imposed constraints, but the constraint forces just happen to have the right values such that the constraints hold.[18][19]
The Lagrange multiplier method has several generalizations. Innonlinear programming there are several multiplier rules, e.g. the Carathéodory–John Multiplier Rule and the Convex Multiplier Rule, for inequality constraints.[21]
The method of Lagrange multipliers applies to constrainedMarkov decision processes.[27] It naturally produces gradient-based primal-dual algorithms in safe reinforcement learning.[28]
Considering the PDE problems with constraints, i.e., the study of the properties of the normalized solutions, Lagrange multipliers play an important role.
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