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  2. Constraint (computational chemistry) - Wikipedia

    en.wikipedia.org/wiki/Constraint_(computational...

    Hybrid methods have also been introduced in which the constraints are divided into two groups; the constraints of the first group are solved using internal coordinates whereas those of the second group are solved using constraint forces, e.g., by a Lagrange multiplier or projection method.

  3. Lagrange multiplier - Wikipedia

    en.wikipedia.org/wiki/Lagrange_multiplier

    The method of Lagrange multipliers can be extended to solve problems with multiple constraints using a similar argument. Consider a paraboloid subject to two line constraints that intersect at a single point. As the only feasible solution, this point is obviously a constrained extremum.

  4. Duality (optimization) - Wikipedia

    en.wikipedia.org/wiki/Duality_(optimization)

    This solution gives the primal variables as functions of the Lagrange multipliers, which are called dual variables, so that the new problem is to maximize the objective function with respect to the dual variables under the derived constraints on the dual variables (including at least the nonnegativity constraints). In general given two dual ...

  5. Calculus of variations - Wikipedia

    en.wikipedia.org/wiki/Calculus_of_Variations

    A simple example of such a problem is to find the curve of shortest length connecting two points. If there are no constraints, the solution is a straight line between the points. However, if the curve is constrained to lie on a surface in space, then the solution is less obvious, and possibly many solutions may exist.

  6. Linear complementarity problem - Wikipedia

    en.wikipedia.org/wiki/Linear_complementarity_problem

    with v the Lagrange multipliers on the non-negativity constraints, λ the multipliers on the inequality constraints, and s the slack variables for the inequality constraints. The fourth condition derives from the complementarity of each group of variables (x, s) with its set of KKT vectors (optimal Lagrange multipliers) being (v, λ). In that case,

  7. Constrained optimization - Wikipedia

    en.wikipedia.org/wiki/Constrained_optimization

    If the constrained problem has only equality constraints, the method of Lagrange multipliers can be used to convert it into an unconstrained problem whose number of variables is the original number of variables plus the original number of equality constraints. Alternatively, if the constraints are all equality constraints and are all linear ...

  8. Lagrangian relaxation - Wikipedia

    en.wikipedia.org/wiki/Lagrangian_relaxation

    These added costs are used instead of the strict inequality constraints in the optimization. In practice, this relaxed problem can often be solved more easily than the original problem. The problem of maximizing the Lagrangian function of the dual variables (the Lagrangian multipliers) is the Lagrangian dual problem .

  9. Augmented Lagrangian method - Wikipedia

    en.wikipedia.org/wiki/Augmented_Lagrangian_method

    Augmented Lagrangian methods are a certain class of algorithms for solving constrained optimization problems. They have similarities to penalty methods in that they replace a constrained optimization problem by a series of unconstrained problems and add a penalty term to the objective, but the augmented Lagrangian method adds yet another term designed to mimic a Lagrange multiplier.