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Kim-Chuan Toh

Publications and source records attributed to Kim-Chuan Toh.

At least 109 records · Page 6Linked to original sources

Efficient algorithms for multivariate shape-constrained convex regression problems

Shape-constrained convex regression problem deals with fitting a convex function to the observed data, where additional constraints are imposed, such as component-wise monotonicity and uniform Lipschitz continuity. This paper provides a comprehensive mechanism for computing the least squares estimator of a multivariate shape-constrained convex regression function in $\mathbb{R}^d$. We prove that the least squares estimator is computable via solving a constrained convex quadratic programming (QP) problem with $(n+1)d$ variables and at least $n(n-1)$ linear inequality constraints, where $n$ is the number of data points. For solving the generally very large-scale convex QP, we design two efficient algorithms, one is the symmetric Gauss-Seidel based alternating direction method of multipliers ({\tt sGS-ADMM}), and the other is the proximal augmented Lagrangian method ({\tt pALM}) with the subproblems solved by the semismooth Newton method ({\tt SSN}). Comprehensive numerical experiments, including those in the pricing of basket options and estimation of production functions in economics, demonstrate that both of our proposed algorithms outperform the state-of-the-art algorithm. The {\tt pALM} is more efficient than the {\tt sGS-ADMM} but the latter has the advantage of being simpler to implement.

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Mesh Independence of a Majorized ABCD Method for Sparse PDE-constrained Optimization Problems

A majorized accelerated block coordinate descent (mABCD) method in Hilbert space is analyzed to solve a sparse PDE-constrained optimization problem via its dual. The finite element approximation method is investigated. The attractive $O(1/k^2)$ iteration complexity of {the mABCD} method for the dual objective function values can be achieved. Based on the convergence result, we prove the robustness with respect to the mesh size $h$ for the mABCD method by establishing that asymptotically the infinite dimensional ABCD method and finite dimensional discretizations have the same convergence property, and the number of iterations of mABCD method remains almost constant as the discretization is refined.

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A dual Newton based preconditioned proximal point algorithm for exclusive lasso models

The exclusive lasso (also known as elitist lasso) regularization has become popular recently due to its superior performance on group sparsity. Compared to the group lasso regularization which enforces the competition on variables among different groups, the exclusive lasso regularization also enforces the competition within each group. In this paper, we propose a highly efficient dual Newton based preconditioned proximal point algorithm (PPDNA) to solve machine learning models involving the exclusive lasso regularizer. As an important ingredient, we provide a rigorous proof for deriving the closed-form solution to the proximal mapping of the weighted exclusive lasso regularizer. In addition, we derive the corresponding HS-Jacobian to the proximal mapping and analyze its structure --- which plays an essential role in the efficient computation of the PPA subproblem via applying a semismooth Newton method on its dual. Various numerical experiments in this paper demonstrate the superior performance of the proposed PPDNA against other state-of-the-art numerical algorithms.

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A Newton-bracketing method for a simple conic optimization problem

For the Lagrangian-DNN relaxation of quadratic optimization problems (QOPs), we propose a Newton-bracketing method to improve the performance of the bisection-projection method implemented in BBCPOP [to appear in ACM Tran. Softw., 2019]. The relaxation problem is converted into the problem of finding the largest zero $y^*$ of a continuously differentiable (except at $y^*$) convex function $g : \mathbb{R} \rightarrow \mathbb{R}$ such that $g(y) = 0$ if $y \leq y^*$ and $g(y) > 0$ otherwise. In theory, the method generates lower and upper bounds of $y^*$ both converging to $y^*$. Their convergence is quadratic if the right derivative of $g$ at $y^*$ is positive. Accurate computation of $g'(y)$ is necessary for the robustness of the method, but it is difficult to achieve in practice. As an alternative, we present a secant-bracketing method. We demonstrate that the method improves the quality of the lower bounds obtained by BBCPOP and SDPNAL+ for binary QOP instances from BIQMAC. Moreover, new lower bounds for the unknown optimal values of large scale QAP instances from QAPLIB are reported.

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SDPNAL+: A Matlab software for semidefinite programming with bound constraints (version 1.0)

SDPNAL+ is a {\sc Matlab} software package that implements an augmented Lagrangian based method to solve large scale semidefinite programming problems with bound constraints. The implementation was initially based on a majorized semismooth Newton-CG augmented Lagrangian method, here we designed it within an inexact symmetric Gauss-Seidel based semi-proximal ADMM/ALM (alternating direction method of multipliers/augmented Lagrangian method) framework for the purpose of deriving simpler stopping conditions and closing the gap between the practical implementation of the algorithm and the theoretical algorithm. The basic code is written in {\sc Matlab}, but some subroutines in C language are incorporated via Mex files. We also design a convenient interface for users to input their SDP models into the solver. Numerous problems arising from combinatorial optimization and binary integer quadratic programming problems have been tested to evaluate the performance of the solver. Extensive numerical experiments conducted in [Yang, Sun, and Toh, Mathematical Programming Computation, 7 (2015), pp. 331--366] show that the proposed method is quite efficient and robust, in that it is able to solve 98.9\% of the 745 test instances of SDP problems arising from various applications to the accuracy of $ 10^{-6}$ in the relative KKT residual.

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Efficient sparse semismooth Newton methods for the clustered lasso problem

We focus on solving the clustered lasso problem, which is a least squares problem with the $\ell_1$-type penalties imposed on both the coefficients and their pairwise differences to learn the group structure of the regression parameters. Here we first reformulate the clustered lasso regularizer as a weighted ordered-lasso regularizer, which is essential in reducing the computational cost from $O(n^2)$ to $O(n\log (n))$. We then propose an inexact semismooth Newton augmented Lagrangian ({\sc Ssnal}) algorithm to solve the clustered lasso problem or its dual via this equivalent formulation, depending on whether the sample size is larger than the dimension of the features. An essential component of the {\sc Ssnal} algorithm is the computation of the generalized Jacobian of the proximal mapping of the clustered lasso regularizer. Based on the new formulation, we derive an efficient procedure for its computation. Comprehensive results on the global convergence and local linear convergence of the {\sc Ssnal} algorithm are established. For the purpose of exposition and comparison, we also summarize/design several first-order methods that can be used to solve the problem under consideration, but with the key improvement from the new formulation of the clustered lasso regularizer. As a demonstration of the applicability of our algorithms, numerical experiments on the clustered lasso problem are performed. The experiments show that the {\sc Ssnal} algorithm substantially outperforms the best alternative algorithm for the clustered lasso problem.

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A Unified Algorithmic Framework of Symmetric Gauss-Seidel Decomposition based Proximal ADMMs for Convex Composite Programming

This paper aims to present a fairly accessible generalization of several symmetric Gauss-Seidel decomposition based multi-block proximal alternating direction methods of multipliers (ADMMs) for convex composite optimization problems. The proposed method unifies and refines many constructive techniques that were separately developed for the computational efficiency of multi-block ADMM-type algorithms. Specifically, the majorized augmented Lagrangian functions, the indefinite proximal terms, the inexact symmetric Gauss-Seidel decomposition theorem, the tolerance criteria of approximately solving the subproblems, and the large dual step-lengths, are all incorporated in one algorithmic framework, which we named as sGS-imiPADMM. From the popularity of convergent variants of multi-block ADMMs in recent years, especially for high-dimensional multi-block convex composite conic programming problems, the unification presented in this paper, as well as the corresponding convergence results, may have the great potential of facilitating the implementation of many multi-block ADMMs in various problem settings.

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Doubly nonnegative relaxations are equivalent to completely positive reformulations of quadratic optimization problems with block-clique graph structures

We study the equivalence among a nonconvex QOP, its CPP and DNN relaxations under the assumption that the aggregated and correlative sparsity of the data matrices of the CPP relaxation is represented by a block-clique graph $G$. By exploiting the correlative sparsity, we decompose the CPP relaxation problem into a clique-tree structured family of smaller subproblems. Each subproblem is associated with a node of a clique tree of $G$. The optimal value can be obtained by applying an algorithm that we propose for solving the subproblems recursively from leaf nodes to the root node of the clique-tree. We establish the equivalence between the QOP and its DNN relaxation from the equivalence between the reduced family of subproblems and their DNN relaxations by applying the known results on: (i) CPP and DNN reformulation of a class of QOPs with linear equality, complementarity and binary constraints in 4 nonnegative variables. (ii) DNN reformulation of a class of quadratically constrained convex QOPs with any size. (iii) DNN reformulation of LPs with any size. As a result, we show that a QOP whose subproblems are the QOPs mentioned in (i), (ii) and (iii) is equivalent to its DNN relaxation, if the subproblems form a clique-tree structured family induced from a block-clique graph.

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An Efficient Linearly Convergent Regularized Proximal Point Algorithm for Fused Multiple Graphical Lasso Problems

Nowadays, analysing data from different classes or over a temporal grid has attracted a great deal of interest. As a result, various multiple graphical models for learning a collection of graphical models simultaneously have been derived by introducing sparsity in graphs and similarity across multiple graphs. This paper focuses on the fused multiple graphical Lasso model which encourages not only shared pattern of sparsity, but also shared values of edges across different graphs. For solving this model, we develop an efficient regularized proximal point algorithm, where the subproblem in each iteration of the algorithm is solved by a superlinearly convergent semismooth Newton method. To implement the semismooth Newton method, we derive an explicit expression for the generalized Jacobian of the proximal mapping of the fused multiple graphical Lasso regularizer. Unlike those widely used first order methods, our approach has heavily exploited the underlying second order information through the semismooth Newton method. This can not only accelerate the convergence of the algorithm, but also improve its robustness. The efficiency and robustness of our proposed algorithm are demonstrated by comparing with some state-of-the-art methods on both synthetic and real data sets. Supplementary materials for this article are available online.

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On the Equivalence of Inexact Proximal ALM and ADMM for a Class of Convex Composite Programming

In this paper, we show that for a class of linearly constrained convex composite optimization problems, an (inexact) symmetric Gauss-Seidel based majorized multi-block proximal alternating direction method of multipliers (ADMM) is equivalent to an {\em inexact} proximal augmented Lagrangian method (ALM). This equivalence not only provides new perspectives for understanding some ADMM-type algorithms but also supplies meaningful guidelines on implementing them to achieve better computational efficiency. Even for the two-block case, a by-product of this equivalence is the convergence of the whole sequence generated by the classic ADMM with a step-length that exceeds the conventional upper bound of $(1+\sqrt{5})/2$, if one part of the objective is linear. This is exactly the problem setting in which the very first convergence analysis of ADMM was conducted by Gabay and Mercier in 1976, but, even under notably stronger assumptions, only the convergence of the primal sequence was known. A collection of illustrative examples are provided to demonstrate the breadth of applications for which our results can be used. Numerical experiments on solving a large number of linear and convex quadratic semidefinite programming problems are conducted to illustrate how the theoretical results established here can lead to improvements on the corresponding practical implementations.

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A Geometrical Analysis of a Class of Nonconvex Conic Programs for Convex Conic Reformulations of Quadratic and Polynomial Optimization Problems

We present a geometrical analysis on the completely positive programming reformulation of quadratic optimization problems and its extension to polynomial optimization problems with a class of geometrically defined nonconvex conic programs and their covexification. The class of nonconvex conic programs is described with a linear objective functionin a linear space $V$, and the constraint set is represented geometrically as the intersection of a nonconvex cone $K \subset V$, a face $J$ of the convex hull of $K$ and a parallel translation $L$ of a supporting hyperplane of the nonconvex cone $K$. We show that under a moderate assumption, the original nonconvex conic program can equivalently be reformulated as a convex conic program by replacing the constraint set with the intersection of $J$ and the hyperplane $L$. The replacement procedure is applied to derive the completely positive programming reformulation of quadratic optimization problems and its extension to polynomial optimization problems.

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A New Homotopy Proximal Variable-Metric Framework for Composite Convex Minimization

This paper suggests two novel ideas to develop new proximal variable-metric methods for solving a class of composite convex optimization problems. The first idea is a new parameterization of the optimality condition which allows us to develop a class of homotopy proximal variable-metric methods. We show that under appropriate assumptions such as strong convexity-type and smoothness, or self-concordance, our new schemes can achieve finite global iteration-complexity bounds. Our second idea is a primal-dual-primal framework for proximal-Newton methods which can lead to some useful computational features for a subclass of nonsmooth composite convex optimization problems. Starting from the primal problem, we formulate its dual problem, and use our homotopy proximal Newton method to solve this dual problem. Instead of solving the subproblem directly in the dual space, we suggest to dualize this subproblem to go back to the primal space. The resulting subproblem shares some similarity promoted by the regularizer of the original problem and leads to some computational advantages. As a byproduct, we specialize the proposed algorithm to solve covariance estimation problems. Surprisingly, our new algorithm does not require any matrix inversion or Cholesky factorization, and function evaluation, while it works in the primal space with sparsity structures that are promoted by the regularizer. Numerical examples on several applications are given to illustrate our theoretical development and to compare with state-of-the-arts.

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A semi-proximal augmented Lagrangian based decomposition method for primal block angular convex composite quadratic conic programming problems

We propose a semi-proximal augmented Lagrangian based decomposition method for convex composite quadratic conic programming problems with primal block angular structures. Using our algorithmic framework, we are able to naturally derive several well known augmented Lagrangian based decomposition methods for stochastic programming such as the diagonal quadratic approximation method of Mulvey and Ruszczyński. Moreover, we are able to derive novel enhancements and generalizations of these well known methods. We also propose a semi-proximal symmetric Gauss-Seidel based alternating direction method of multipliers for solving the corresponding dual problem. Numerical results show that our algorithms can perform well even for very large instances of primal block angular convex QP problems. For example, one instance with more than $300,000$ linear constraints and $12,500,000$ nonnegative variables is solved in less than a minute whereas Gurobi took more than 3 hours, and another instance {\tt qp-gridgen1} with more than $331,000$ linear constraints and $986,000$ nonnegative variables is solved in about 5 minutes whereas Gurobi took more than 35 minutes.

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Best Nonnegative Rank-One Approximations of Tensors

In this paper, we study the polynomial optimization problem of multi-forms over the intersection of the multi-spheres and the nonnegative orthants. This class of problems is NP-hard in general, and includes the problem of finding the best nonnegative rank-one approximation of a given tensor. A Positivstellensatz is given for this class of polynomial optimization problems, based on which a globally convergent hierarchy of doubly nonnegative (DNN) relaxations is proposed. A (zero-th order) DNN relaxation method is applied to solve these problems, resulting in linear matrix optimization problems under both the positive semidefinite and nonnegative conic constraints. A worst case approximation bound is given for this relaxation method. Then, the recent solver SDPNAL+ is adopted to solve this class of matrix optimization problems. Typically, the DNN relaxations are tight, and hence the best nonnegative rank-one approximation of a tensor can be revealed frequently. Extensive numerical experiments show that this approach is quite promising.

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Spectral operators of matrices: semismoothness and characterizations of the generalized Jacobian

Spectral operators of matrices proposed recently in [C. Ding, D.F. Sun, J. Sun, and K.C. Toh, Math. Program. {\bf 168}, 509--531 (2018)] are a class of matrix valued functions, which map matrices to matrices by applying a vector-to-vector function to all eigenvalues/singular values of the underlying matrices. Spectral operators play a crucial role in the study of various applications involving matrices such as matrix optimization problems (MOPs) {that include semidefinite programming as one of the most important example classes}. In this paper, we will study more fundamental first- and second-order properties of spectral operators, including the Lipschitz continuity, $ρ$-order B(ouligand)-differentiability ($0<ρ\le 1$), $ρ$-order G-semismoothness ($0<ρ\le 1$), and characterization of generalized Jacobians.

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Convex Clustering: Model, Theoretical Guarantee and Efficient Algorithm

Clustering is a fundamental problem in unsupervised learning. Popular methods like K-means, may suffer from poor performance as they are prone to get stuck in its local minima. Recently, the sum-of-norms (SON) model (also known as the clustering path) has been proposed in Pelckmans et al. (2005), Lindsten et al. (2011) and Hocking et al. (2011). The perfect recovery properties of the convex clustering model with uniformly weighted all pairwise-differences regularization have been proved by Zhu et al. (2014) and Panahi et al. (2017). However, no theoretical guarantee has been established for the general weighted convex clustering model, where better empirical results have been observed. In the numerical optimization aspect, although algorithms like the alternating direction method of multipliers (ADMM) and the alternating minimization algorithm (AMA) have been proposed to solve the convex clustering model (Chi and Lange, 2015), it still remains very challenging to solve large-scale problems. In this paper, we establish sufficient conditions for the perfect recovery guarantee of the general weighted convex clustering model, which include and improve existing theoretical results as special cases. In addition, we develop a semismooth Newton based augmented Lagrangian method for solving large-scale convex clustering problems. Extensive numerical experiments on both simulated and real data demonstrate that our algorithm is highly efficient and robust for solving large-scale problems. Moreover, the numerical results also show the superior performance and scalability of our algorithm comparing to the existing first-order methods. In particular, our algorithm is able to solve a convex clustering problem with 200,000 points in $\mathbb{R}^3$ in about 6 minutes.

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On the efficient computation of a generalized Jacobian of the projector over the Birkhoff polytope

We derive an explicit formula, as well as an efficient procedure, for constructing a generalized Jacobian for the projector of a given square matrix onto the Birkhoff polytope, i.e., the set of doubly stochastic matrices. To guarantee the high efficiency of our procedure, a semismooth Newton method for solving the dual of the projection problem is proposed and efficiently implemented. Extensive numerical experiments are presented to demonstrate the merits and effectiveness of our method by comparing its performance against other powerful solvers such as the commercial software Gurobi and the academic code PPROJ [{\sc Hager and Zhang}, SIAM Journal on Optimization, 26 (2016), pp.~1773--1798]. In particular, our algorithm is able to solve the projection problem with over one billion variables and nonnegative constraints to a very high accuracy in less than 15 minutes on a modest desktop computer. More importantly, based on our efficient computation of the projections and their generalized Jacobians, we can design a highly efficient augmented Lagrangian method (ALM) for solving a class of convex quadratic programming (QP) problems constrained by the Birkhoff polytope. The resulted ALM is demonstrated to be much more efficient than Gurobi in solving a collection of QP problems arising from the relaxation of quadratic assignment problems.

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BBCPOP: A Sparse Doubly Nonnegative Relaxation of Polynomial Optimization Problems with Binary, Box and Complementarity Constraints

The software package BBCPOP is a MATLAB implementation of a hierarchy of sparse doubly nonnegative (DNN) relaxations of a class of polynomial optimization (minimization) problems (POPs) with binary, box and complementarity (BBC) constraints. Given a POP in the class and a relaxation order, BBCPOP constructs a simple conic optimization problem (COP), which serves as a DNN relaxation of the POP, and then solves the COP by applying the bisection and projection (BP) method. The COP is expressed with a linear objective function and constraints described as a single hyperplane and two cones, which are the Cartesian product of positive semidefinite cones and a polyhedral cone induced from the BBC constraints. BBCPOP aims to compute a tight lower bound for the optimal value of a large-scale POP in the class that is beyond the comfort zone of existing software packages. The robustness, reliability and efficiency of BBCPOP are demonstrated in comparison to the state-of-the-art software SDP package SDPNAL+ on randomly generated sparse POPs of degree 2 and 3 with up to a few thousands variables, and ones of degree 4, 5, 6. and 8 with up to a few hundred variables. Comparison with other BBC POPs that arise from combinatorial optimization problems such as quadratic assignment problems are also reported. The software package BBCPOP is available at https://sites.google.com/site/bbcpop1/.

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