Michael L. Overton We investigate the BFGS algorithm with an inexact line search when applied to nonsmooth functions, not necessarily convex. We define a suitable line search and show that it generates a sequence of nested intervals containing points satisfying the Armijo and weak Wolfe conditions, assuming only absolute continuity. We also prove that the line search terminates … Read more
We investigate the behavior of the BFGS algorithm with an exact line search on nonsmooth functions. We show that it may fail on a simple polyhedral example, but that it apparently always succeeds on the Euclidean norm function, spiraling into the origin with a Q-linear rate of convergence; we prove this in the case of … Read more
Shor’s r-algorithm is an iterative method for unconstrained optimization, designed for minimizing nonsmooth functions, for which its reported success has been considerable. Although some limited convergence results are known, nothing seems to be known about the algorithm’s rate of convergence, even in the smooth case. We study how the method behaves on convex quadratics, proving … Read more
Employing the variational approach having the two-body reduced density matrix (RDM) as variables to compute the ground state energies of atomic-molecular systems has been a long time dream in electronic structure theory in chemical physics/physical chemistry. Realization of the RDM approach has benefited greatly from recent developments in semidefinite programming (SDP). We present the actual … Read more
We give a detailed numerical and theoretical analysis of a stabilization problem posed by V. Blondel in 1994. Our approach illustrates the effectiveness of a new gradient sampling algorithm for finding local optimizers of nonsmooth, nonconvex optimization problems arising in control, as well as the power of nonsmooth analysis for understanding variational problems involving polynomial … Read more
The Gauss-Lucas Theorem on the roots of polynomials nicely simplifies calculating the subderivative and regular subdifferential of the abscissa mapping on polynomials (the maximum of the real parts of the roots). This paper extends this approach to more general functions of the roots. By combining the Gauss-Lucas methodology with an analysis of the splitting behavior … Read more
Let $f$ be a continuous function on $\Rl^n$, and suppose $f$ is continuously differentiable on an open dense subset. Such functions arise in many applications, and very often minimizers are points at which $f$ is not differentiable. Of particular interest is the case where $f$ is not convex, and perhaps not even locally Lipschitz, but … Read more
The variational approach for electronic structure based on the two-body reduced density matrix is studied, incorporating two representability conditions beyond the previously used $P$, $Q$ and $G$ conditions. The additional conditions (called $T1$ and $T2$ here) are implicit in work of R.~M.~Erdahl [Int.\ J.\ Quantum Chem.\ {\bf13}, 697–718 (1978)] and extend the well-known three-index diagonal … Read more
We consider spectral functions $f \circ \lambda$, where $f$ is any permutation-invariant mapping from $\Cx^n$ to $\Rl$, and $\lambda$ is the eigenvalue map from the set of $n \times n$ complex matrices to $\Cx^n$, ordering the eigenvalues lexicographically. For example, if $f$ is the function “maximum real part Citation Math. Programming 90 (2001), pp. 317-352
The abscissa mapping on the affine variety $M_n$ of monic polynomials of degree $n$ is the mapping that takes a monic polynomial to the maximum of the real parts of its roots. This mapping plays a central role in the stability theory of matrices and dynamical systems. It is well known that the abscissa mapping … Read more