Renormalization for Discrete Optimization

The renormalization group has proven to be a very powerful tool in physics for treating systems with many length scales. Here we show how it can be adapted to provide a new class of algorithms for discrete optimization. The heart of our method uses renormalization and recursion, and these processes are embedded in a genetic algorithm. The system is self-consistently optimized on all scales, leading to a high probability of finding the ground state configuration. To demonstrate the generality of such an approach, we perform tests on traveling salesman and spin glass problems. The results show that our ``genetic renormalization algorithm'' is extremely powerful.Comment: 4 pages, no figur

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of "maximum flow-minimum cut" graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered

Towards a Theory-Guided Benchmarking Suite for Discrete Black-Box Optimization Heuristics: Profiling (1+λ)(1+\lambda) EA Variants on OneMax and LeadingOnes

Theoretical and empirical research on evolutionary computation methods complement each other by providing two fundamentally different approaches towards a better understanding of black-box optimization heuristics. In discrete optimization, both streams developed rather independently of each other, but we observe today an increasing interest in reconciling these two sub-branches. In continuous optimization, the COCO (COmparing Continuous Optimisers) benchmarking suite has established itself as an important platform that theoreticians and practitioners use to exchange research ideas and questions. No widely accepted equivalent exists in the research domain of discrete black-box optimization. Marking an important step towards filling this gap, we adjust the COCO software to pseudo-Boolean optimization problems, and obtain from this a benchmarking environment that allows a fine-grained empirical analysis of discrete black-box heuristics. In this documentation we demonstrate how this test bed can be used to profile the performance of evolutionary algorithms. More concretely, we study the optimization behavior of several $(1+\lambda)$ EA variants on the two benchmark problems OneMax and LeadingOnes. This comparison motivates a refined analysis for the optimization time of the $(1+\lambda)$ EA on LeadingOnes

Nonconcave Robust Optimization with Discrete Strategies under Knightian Uncertainty

We study robust stochastic optimization problems in the quasi-sure setting in discrete-time. The strategies in the multi-period-case are restricted to those taking values in a discrete set. The optimization problems under consideration are not concave. We provide conditions under which a maximizer exists. The class of problems covered by our robust optimization problem includes optimal stopping and semi-static trading under Knightian uncertainty.Comment: arXiv admin note: text overlap with arXiv:1610.0923

On a novel approach for optimizing composite materials panel using surrogate models

This paper describes an optimization procedure to design thermoplastic composite panels under axial compressive load conditions. Minimum weight is the goal. The panel design is subject to buckling constraints. The presence of the bending-twisting coupling and of particular boundary conditions does not allow an analytical solution for the critical buckling load. Surrogate models are used to approximate the buckling response of the plate in a fast and reliable way. Therefore, two surrogate models are compared to study their effectiveness in composite optimization. The first one is a linear approximation based on the buckling constitutive equation. The second consists in the application of the Kriging surrogate. Constraints given from practical blending rules are also introduced in the optimization. Discrete values of ply thicknesses is a requirement. An ad-hoc discrete optimization strategy is developed, which enables to handle discrete variables

Dissipative numerical schemes on Riemannian manifolds with applications to gradient flows

This paper concerns an extension of discrete gradient methods to finite-dimensional Riemannian manifolds termed discrete Riemannian gradients, and their application to dissipative ordinary differential equations. This includes Riemannian gradient flow systems which occur naturally in optimization problems. The Itoh--Abe discrete gradient is formulated and applied to gradient systems, yielding a derivative-free optimization algorithm. The algorithm is tested on two eigenvalue problems and two problems from manifold valued imaging: InSAR denoising and DTI denoising.Comment: Post-revision version. To appear in SIAM Journal on Scientific Computin

The Discrete Dantzig Selector: Estimating Sparse Linear Models via Mixed Integer Linear Optimization

We propose a novel high-dimensional linear regression estimator: the Discrete Dantzig Selector, which minimizes the number of nonzero regression coefficients subject to a budget on the maximal absolute correlation between the features and residuals. Motivated by the significant advances in integer optimization over the past 10-15 years, we present a Mixed Integer Linear Optimization (MILO) approach to obtain certifiably optimal global solutions to this nonconvex optimization problem. The current state of algorithmics in integer optimization makes our proposal substantially more computationally attractive than the least squares subset selection framework based on integer quadratic optimization, recently proposed in [8] and the continuous nonconvex quadratic optimization framework of [33]. We propose new discrete first-order methods, which when paired with state-of-the-art MILO solvers, lead to good solutions for the Discrete Dantzig Selector problem for a given computational budget. We illustrate that our integrated approach provides globally optimal solutions in significantly shorter computation times, when compared to off-the-shelf MILO solvers. We demonstrate both theoretically and empirically that in a wide range of regimes the statistical properties of the Discrete Dantzig Selector are superior to those of popular $\ell_{1}$-based approaches. We illustrate that our approach can handle problem instances with p = 10,000 features with certifiable optimality making it a highly scalable combinatorial variable selection approach in sparse linear modeling