A Method for Establishing Optimality Conditions for a Nonsmooth Vector-Valued Minimax Problem

Using a method of uniform approximations, necessary and sufficient conditions for a nonsmooth constrained vector-valued minimax problem are established in terms of Mordukhovich subdifferentials.     

The uv-Decomposition on a Class of D.C. Functions and Optimality Conditions

In this paper,the UV-theory and P-differential calculus are employed to study second-order ex-pansion of a class of D.C.functions and minimization problems.Under certain conditions,some properties ofthe U-Lagrangian,the second-order expansion of this class of functions along some trajectories are formulated.Some first and second order optimality conditions for the class of D.C.optimization problems are given.     

Numerical analysis for the periodic response of nonsmooth dynamic systems of high-dimension

This paper deals with the numerical solution of high dimensional dynamic systems with nonsmooth characteristics, such as structural elastoplasticity, mechanical clearance and dry friction. As a stable periodic response of the system attracts its transient response, it may be extracted from the transient response somehow. The paper suggests a novel iteration scheme to extrapolate the periodic response from a short time history of its transient response by curve fitting. Compared with the current schemes such as shooting and incremental harmonic balancing, the present scheme makes full use of the information within the transient response and the system characters, then its computation efficiency has increased by an order and the numerical convergence depending on the initial iteration has greatly improved.The subject supported by the Chinese Foundation of Aeronautical Science     

Algorithms for Finite and Semi-Infinite Min–Max–Min Problems Using Adaptive Smoothing Techniques

We develop two implementable algorithms, the first for the solution of finite and the second for the solution of semi-infinite min-max-min problems. A smoothing technique (together with discretization for the semi-infinite case) is used to construct a sequence of approximating finite min-max problems, which are solved with increasing precision. The smoothing and discretization approximations are initially coarse, but are made progressively finer as the number of iterations is increased. This reduces the potential ill-conditioning due to high smoothing precision parameter values and computational cost due to high levels of discretization. The behavior of the algorithms is illustrated with three semi-infinite numerical examples.     

The Lagrangian Globalization Method for Nonsmooth Constrained Equations

The difficulty suffered in optimization-based algorithms for the solution of nonlinear equations lies in that the traditional methods for solving the optimization problem have been mainly concerned with finding a stationary point or a local minimizer of the underlying optimization problem, which is not necessarily a solution of the equations. One method to overcome this difficulty is the Lagrangian globalization (LG for simplicity) method. This paper extends the LG method to nonsmooth equations with bound constraints. The absolute system of equations is introduced. A so-called Projected Generalized-Gradient Direction (PGGD) is constructed and proved to be a descent direction of the reformulated nonsmooth optimization problem. This projected approach keeps the feasibility of the iterates. The convergence of the new algorithm is established by specializing the PGGD. Numerical tests are given. This author's work was done when she was visiting The Hong Kong Polytechnic University. His work is also supported by the Research Grant Council of Hong Kong.     

Isomers of C20: an energy profile III

Semiempirical calculations, at the PM3 level provided within the Winmopac v2.0 software package, are used to geometrically optimize and determine the absolute energies (heats of formation) of a variety of C(20) isomers that are predicted to exist in and around the ring and cage isomers. Using the optimized Cartesian coordinates for the ring and the cage isomers, a saddle-point calculation was performed. The resulting energy profile, consisting of a series of peaks and valleys, is used as a starting point for the identification and location of fifteen additional isomers of C(20) that are predicted to be energetically stable, both via geometry optimizations and force constant analysis. These additional isomers were subsequently determined to lie adjacent to one another on the potential surface and establish a step-wise transformation between the ring and the cage. Transition-state optimization of the Cartesian coordinates at the saddle point between adjacent isomers was performed to quantify the energy of the transition state. The step-wise process from one isomer to another, which extends out over the three-dimensional surface, is predicted to require approximately 15% less energy than that of the direct, two-dimensional transformation predicted in the bowl-cage profile. However, the net atomic rearrangement for the step-wise process is about four times greater than that of the direct process. Although less in energy, the amount of atomic rearrangement in the step-wise process would make the occurrence of such a route prohibitive. Utilizing the direct distance separating the three primary isomers (ring, bowl, cage), the method of triangulation is performed to quantitatively position other C(20) structures on the potential surface, relative to the ring, bowl, and cage isomers.     

A DFT study of lithium battery materials: application to the β-VOXO4 systems (X=P, As, S)

VOXO₄ systems have been considered as potential lithium battery electrodes. They mainly present two distinct structural types: the tetragonal “α” type with a two-dimensional framework, and the three-dimensional orthorhombic “β”. DFT calculations were performed on this latter system for several β-Li_xVOXO₄ compounds (x=0, 1; X=P, As, S). They allowed to propose structural models for VOAsO₄ and LiVOSO₄, not fully crystallographically well described yet. Based on an experimental model of two-phase processes, these calculations led also to a good simulation of electrochemical potential values. A density of states analysis put in evidence the “inductive effect” and the role played by (XO₄)ⁿ⁻ groups inside the host frameworks on these potentials.     

Extrapolated Smoothing Descent Algorithm for Constrained Nonconvex and Nonsmooth Composite Problems*

In this paper, the authors propose a novel smoothing descent type algorithm with extrapolation for solving a class of constrained nonsmooth and nonconvex problems,where the nonconvex term is possibly nonsmooth. Their algorithm adopts the proximal gradient algorithm with extrapolation and a safe-guarding policy to minimize the smoothed objective function for better practical and theoretical performance. Moreover, the algorithm uses a easily checking rule to update the smoothing parameter to ensure that any accumulation point of the generated sequence is an (affine-scaled) Clarke stationary point of the original nonsmooth and nonconvex problem. Their experimental results indicate the effectiveness of the proposed algorithm.     

Convergence of an augmented Lagrange algorithm for nonlinear optimizations with second-order cone constraints

An augmented Lagrange algorithm for nonlinear optimizations with second-order cone constraints is proposed based on a Löwner operator associated with a potential function for the optimization problems with inequality constraints. The favorable properties of both the Löwner operator and the corresponding augmented Lagrangian are discussed. And under some mild assumptions, the rate of convergence of the augmented Lagrange algorithm is studied in detail.     

Prox-regular functions in variational analysis

The class of prox-regular functions covers all l.s.c., proper, convex functions, lower- functions and strongly amenable functions, hence a large core of functions of interest in variational analysis and optimization. The subgradient mappings associated with prox-regular functions have unusually rich properties, which are brought to light here through the study of the associated Moreau envelope functions and proximal mappings. Connections are made between second-order epi-derivatives of the functions and proto-derivatives of their subdifferentials. Conditions are identified under which the Moreau envelope functions are convex or strongly convex, even if the given functions are not.