αΒΒ is a second-order deterministic global optimization algorithm for finding the optima of general, twice continuously differentiable functions.[1][2] The algorithm is based around creating a relaxation for nonlinear functions of general form by superposing them with a quadratic of sufficient magnitude, called α, such that the resulting superposition is enough to overcome the worst-case scenario of non-convexity of the original function. Since a quadratic has a diagonal Hessian matrix, this superposition essentially adds a number to all diagonal elements of the original Hessian, such that the resulting Hessian is positive-semidefinite. Thus, the resulting relaxation is a convex function.

Theory

edit

Let a function   be a function of general non-linear non-convex structure, defined in a finite box  . Then, a convex underestimation (relaxation)   of this function can be constructed over   by superposing a sum of univariate quadratics, each of sufficient magnitude to overcome the non-convexity of   everywhere in  , as follows:

 

  is called the   underestimator for general functional forms. If all   are sufficiently large, the new function   is convex everywhere in  . Thus, local minimization of   yields a rigorous lower bound on the value of   in that domain.

Calculation of

edit

There are numerous methods to calculate the values of the   vector. It is proven that when  , where   is a valid lower bound on the  -th eigenvalue of the Hessian matrix of  , the   underestimator is guaranteed to be convex.

One of the most popular methods to get these valid bounds on eigenvalues is by use of the Scaled Gerschgorin theorem. Let   be the interval Hessian matrix of   over the interval  . Then,   a valid lower bound on eigenvalue   may be derived from the  -th row of   as follows:

 

References

edit
  1. ^ "A global optimization approach for Lennard-Jones microclusters." Journal of Chemical Physics, 1992, 97(10), 7667-7677
  2. ^ "αBB: A global optimization method for general constrained nonconvex problems." Journal of Global Optimization, 1995, 7(4), 337-363