Matching Kasteleyn Cities for Spin Glass Ground States

As spin glass materials have extremely slow dynamics, devious numerical methods are needed to study low-temperature states. A simple and fast optimization version of the classical Kasteleyn treatment of the Ising model is described and applied to two-dimensional Ising spin glasses. The algorithm combines the Pfaffian and matching approaches to directly strip droplet excitations from an excited state. Extended ground states in Ising spin glasses on a torus, which are optimized over all boundary conditions, are used to compute precise values for ground state energy densities.Comment: 4 pages, 2 figures; minor clarification

Algorithmic and Statistical Perspectives on Large-Scale Data Analysis

In recent years, ideas from statistics and scientific computing have begun to interact in increasingly sophisticated and fruitful ways with ideas from computer science and the theory of algorithms to aid in the development of improved worst-case algorithms that are useful for large-scale scientific and Internet data analysis problems. In this chapter, I will describe two recent examples---one having to do with selecting good columns or features from a (DNA Single Nucleotide Polymorphism) data matrix, and the other having to do with selecting good clusters or communities from a data graph (representing a social or information network)---that drew on ideas from both areas and that may serve as a model for exploiting complementary algorithmic and statistical perspectives in order to solve applied large-scale data analysis problems.Comment: 33 pages. To appear in Uwe Naumann and Olaf Schenk, editors, "Combinatorial Scientific Computing," Chapman and Hall/CRC Press, 201

An Exact No Free Lunch Theorem for Community Detection

A precondition for a No Free Lunch theorem is evaluation with a loss function which does not assume a priori superiority of some outputs over others. A previous result for community detection by Peel et al. (2017) relies on a mismatch between the loss function and the problem domain. The loss function computes an expectation over only a subset of the universe of possible outputs; thus, it is only asymptotically appropriate with respect to the problem size. By using the correct random model for the problem domain, we provide a stronger, exact No Free Lunch theorem for community detection. The claim generalizes to other set-partitioning tasks including core/periphery separation, $k$-clustering, and graph partitioning. Finally, we review the literature of proposed evaluation functions and identify functions which (perhaps with slight modifications) are compatible with an exact No Free Lunch theorem

Random Costs in Combinatorial Optimization

The random cost problem is the problem of finding the minimum in an exponentially long list of random numbers. By definition, this problem cannot be solved faster than by exhaustive search. It is shown that a classical NP-hard optimization problem, number partitioning, is essentially equivalent to the random cost problem. This explains the bad performance of heuristic approaches to the number partitioning problem and allows us to calculate the probability distributions of the optimum and sub-optimum costs.Comment: 4 pages, Revtex, 2 figures (eps), submitted to PR

A histogram-free multicanonical Monte Carlo algorithm for the basis expansion of density of states

We report a new multicanonical Monte Carlo (MC) algorithm to obtain the density of states (DOS) for physical systems with continuous state variables in statistical mechanics. Our algorithm is able to obtain an analytical form for the DOS expressed in a chosen basis set, instead of a numerical array of finite resolution as in previous variants of this class of MC methods such as the multicanonical (MUCA) sampling and Wang-Landau (WL) sampling. This is enabled by storing the visited states directly in a data set and avoiding the explicit collection of a histogram. This practice also has the advantage of avoiding undesirable artificial errors caused by the discretization and binning of continuous state variables. Our results show that this scheme is capable of obtaining converged results with a much reduced number of Monte Carlo steps, leading to a significant speedup over existing algorithms.Comment: 8 pages, 6 figures. Paper accepted in the Platform for Advanced Scientific Computing Conference (PASC '17), June 26 to 28, 2017, Lugano, Switzerlan