Single-Step Quantum Search Using Problem Structure

The structure of satisfiability problems is used to improve search algorithms for quantum computers and reduce their required coherence times by using only a single coherent evaluation of problem properties. The structure of random k-SAT allows determining the asymptotic average behavior of these algorithms, showing they improve on quantum algorithms, such as amplitude amplification, that ignore detailed problem structure but remain exponential for hard problem instances. Compared to good classical methods, the algorithm performs better, on average, for weakly and highly constrained problems but worse for hard cases. The analytic techniques introduced here also apply to other quantum algorithms, supplementing the limited evaluation possible with classical simulations and showing how quantum computing can use ensemble properties of NP search problems.Comment: 39 pages, 12 figures. Revision describes further improvement with multiple steps (section 7). See also http://www.parc.xerox.com/dynamics/www/quantum.htm

The Peculiar Phase Structure of Random Graph Bisection

The mincut graph bisection problem involves partitioning the n vertices of a graph into disjoint subsets, each containing exactly n/2 vertices, while minimizing the number of "cut" edges with an endpoint in each subset. When considered over sparse random graphs, the phase structure of the graph bisection problem displays certain familiar properties, but also some surprises. It is known that when the mean degree is below the critical value of 2 log 2, the cutsize is zero with high probability. We study how the minimum cutsize increases with mean degree above this critical threshold, finding a new analytical upper bound that improves considerably upon previous bounds. Combined with recent results on expander graphs, our bound suggests the unusual scenario that random graph bisection is replica symmetric up to and beyond the critical threshold, with a replica symmetry breaking transition possibly taking place above the threshold. An intriguing algorithmic consequence is that although the problem is NP-hard, we can find near-optimal cutsizes (whose ratio to the optimal value approaches 1 asymptotically) in polynomial time for typical instances near the phase transition.Comment: substantially revised section 2, changed figures 3, 4 and 6, made minor stylistic changes and added reference

Exhaustive enumeration unveils clustering and freezing in random 3-SAT

We study geometrical properties of the complete set of solutions of the random 3-satisfiability problem. We show that even for moderate system sizes the number of clusters corresponds surprisingly well with the theoretic asymptotic prediction. We locate the freezing transition in the space of solutions which has been conjectured to be relevant in explaining the onset of computational hardness in random constraint satisfaction problems.Comment: 4 pages, 3 figure

Performance of an environmental test to detect Mycobacterium bovis infection in badger social groups

A study by Courtenay and others (2006) demonstrated that the probability of detecting Mycobacterium bovis by PCR in soil samples from the spoil heaps of main badger setts correlated with the prevalence of excretion (infectiousness) of captured badgers belonging to the social group. It has been proposed that such a test could be used to target badger culling to setts containing infectious animals (Anon 2007). This short communication discusses the issues surrounding this concept, with the intention of dispelling any misconceptions among relevant stakeholders (farmers, policy makers and conservationists)

Extremal Optimization at the Phase Transition of the 3-Coloring Problem

We investigate the phase transition of the 3-coloring problem on random graphs, using the extremal optimization heuristic. 3-coloring is among the hardest combinatorial optimization problems and is closely related to a 3-state anti-ferromagnetic Potts model. Like many other such optimization problems, it has been shown to exhibit a phase transition in its ground state behavior under variation of a system parameter: the graph's mean vertex degree. This phase transition is often associated with the instances of highest complexity. We use extremal optimization to measure the ground state cost and the ``backbone'', an order parameter related to ground state overlap, averaged over a large number of instances near the transition for random graphs of size $n$ up to 512. For graphs up to this size, benchmarks show that extremal optimization reaches ground states and explores a sufficient number of them to give the correct backbone value after about $O(n^{3.5})$ update steps. Finite size scaling gives a critical mean degree value $\alpha_{\rm c}=4.703(28)$. Furthermore, the exploration of the degenerate ground states indicates that the backbone order parameter, measuring the constrainedness of the problem, exhibits a first-order phase transition.Comment: RevTex4, 8 pages, 4 postscript figures, related information available at http://www.physics.emory.edu/faculty/boettcher

Jamming Model for the Extremal Optimization Heuristic

Extremal Optimization, a recently introduced meta-heuristic for hard optimization problems, is analyzed on a simple model of jamming. The model is motivated first by the problem of finding lowest energy configurations for a disordered spin system on a fixed-valence graph. The numerical results for the spin system exhibit the same phenomena found in all earlier studies of extremal optimization, and our analytical results for the model reproduce many of these features.Comment: 9 pages, RevTex4, 7 ps-figures included, as to appear in J. Phys. A, related papers available at http://www.physics.emory.edu/faculty/boettcher

All-electron magnetic response with pseudopotentials: NMR chemical shifts

A theory for the ab initio calculation of all-electron NMR chemical shifts in insulators using pseudopotentials is presented. It is formulated for both finite and infinitely periodic systems and is based on an extension to the Projector Augmented Wave approach of Bloechl [P. E. Bloechl, Phys. Rev. B 50, 17953 (1994)] and the method of Mauri et al [F. Mauri, B.G. Pfrommer, and S.G. Louie, Phys. Rev. Lett. 77, 5300 (1996)]. The theory is successfully validated for molecules by comparison with a selection of quantum chemical results, and in periodic systems by comparison with plane-wave all-electron results for diamond.Comment: 25 pages, 4 tables, submitted to Physical Review

Extremal Optimization of Graph Partitioning at the Percolation Threshold

The benefits of a recently proposed method to approximate hard optimization problems are demonstrated on the graph partitioning problem. The performance of this new method, called Extremal Optimization, is compared to Simulated Annealing in extensive numerical simulations. While generally a complex (NP-hard) problem, the optimization of the graph partitions is particularly difficult for sparse graphs with average connectivities near the percolation threshold. At this threshold, the relative error of Simulated Annealing for large graphs is found to diverge relative to Extremal Optimization at equalized runtime. On the other hand, Extremal Optimization, based on the extremal dynamics of self-organized critical systems, reproduces known results about optimal partitions at this critical point quite well.Comment: 7 pages, RevTex, 9 ps-figures included, as to appear in Journal of Physics

The dynamics of proving uncolourability of large random graphs I. Symmetric Colouring Heuristic

We study the dynamics of a backtracking procedure capable of proving uncolourability of graphs, and calculate its average running time T for sparse random graphs, as a function of the average degree c and the number of vertices N. The analysis is carried out by mapping the history of the search process onto an out-of-equilibrium (multi-dimensional) surface growth problem. The growth exponent of the average running time is quantitatively predicted, in agreement with simulations.Comment: 5 figure