A NEW FIRST-ORDER ALGORITHMIC FRAMEWORK FOR OPTIMIZATION PROBLEMS WITH ORTHOGONALITY CONSTRAINTS

被引:69
作者
Gao, Bin [1 ,2 ]
Liu, Xin [1 ,2 ]
Chen, Xiaojun [3 ]
Yuan, Ya-Xiang [1 ]
机构
[1] Chinese Acad Sci, Acad Math & Syst Sci, State Key Lab Sci & Engn Comp, Beijing, Peoples R China
[2] Univ Chinese Acad Sci, Beijing, Peoples R China
[3] Hong Kong Polytech Univ, Dept Appl Math, Hong Kong, Hong Kong, Peoples R China
关键词
orthogonality constraint; Stiefel manifold; Householder transformation; gradient projection; block coordinate descent; ELECTRONIC-STRUCTURE CALCULATIONS; UNITARY MATRIX CONSTRAINT; DENSITY-FUNCTIONAL THEORY; QUASI-NEWTON METHODS; STIEFEL MANIFOLD; APPROXIMATIONS; MINIMIZATION; FLOWS;
D O I
10.1137/16M1098759
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
In this paper, we consider a class of optimization problems with orthogonality constraints, the feasible region of which is called the Stiefel manifold. Our new framework combines a function value reduction step with a correction step. Different from the existing approaches, the function value reduction step of our algorithmic framework searches along the standard Euclidean descent directions instead of the vectors in the tangent space of the Stiefel manifold, and the correction step further reduces the function value and guarantees a symmetric dual variable at the same time. We construct two types of algorithms based on this new framework. The first type is based on gradient reduction including the gradient reflection (GR) and the gradient projection (GP) algorithms. The other one adopts a columnwise block coordinate descent (CBCD) scheme with a novel idea for solving the corresponding CBCD subproblem inexactly. We prove that both GR/GP with a fixed step size and CBCD belong to our algorithmic framework, and any clustering point of the iterates generated by the proposed framework is a first-order stationary point. Preliminary experiments illustrate that our new framework is of great potential.
引用
收藏
页码:302 / 332
页数:31
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