Extreme Quantum Advantage for Rare-Event Sampling

We introduce a quantum algorithm for efficient biased sampling of the rare events generated by classical memoryful stochastic processes. We show that this quantum algorithm gives an extreme advantage over known classical biased sampling algorithms in terms of the memory resources required. The quantum memory advantage ranges from polynomial to exponential and when sampling the rare equilibrium configurations of spin systems the quantum advantage diverges.Comment: 11 pages, 9 figures; http://csc.ucdavis.edu/~cmg/compmech/pubs/eqafbs.ht

Biological evolution through mutation, selection, and drift: An introductory review

Motivated by present activities in (statistical) physics directed towards biological evolution, we review the interplay of three evolutionary forces: mutation, selection, and genetic drift. The review addresses itself to physicists and intends to bridge the gap between the biological and the physical literature. We first clarify the terminology and recapitulate the basic models of population genetics, which describe the evolution of the composition of a population under the joint action of the various evolutionary forces. Building on these foundations, we specify the ingredients explicitly, namely, the various mutation models and fitness landscapes. We then review recent developments concerning models of mutational degradation. These predict upper limits for the mutation rate above which mutation can no longer be controlled by selection, the most important phenomena being error thresholds, Muller's ratchet, and mutational meltdowns. Error thresholds are deterministic phenomena, whereas Muller's ratchet requires the stochastic component brought about by finite population size. Mutational meltdowns additionally rely on an explicit model of population dynamics, and describe the extinction of populations. Special emphasis is put on the mutual relationship between these phenomena. Finally, a few connections with the process of molecular evolution are established.Comment: 62 pages, 6 figures, many reference

Prospects of Transition Interface Sampling simulations for the theoretical study of zeolite synthesis

The transition interface sampling (TIS) technique allows to overcome large free energy barriers within reasonable simulation time, which is impossible for straightforward molecular dynamics. Still, the method does not impose an artificial driving force, but it surmounts the timescale problem by an importance sampling of true dynamical pathways. Recently, it was shown that the efficiency of TIS to calculate reaction rates is less sensitive to the choice of reaction coordinate than those of the standard free energy based techniques. This could be an important advantage in complex systems for which a good reaction coordinate is usually very difficult to find. We explain the principles of this method and discuss some of the promising applications related to zeolite formation.Comment: 9 pages, accepted for publication in Phys. Chem. Chem. Phys. for the special issue of the CECAM workshop: Computational aspects of building blocks, nucleation, and synthesis of porous materials Aug. 29 2006 to Aug. 31 200

An Infinite Swapping Approach to the Rare-Event Sampling Problem

We describe a new approach to the rare-event Monte Carlo sampling problem. This technique utilizes a symmetrization strategy to create probability distributions that are more highly connected and thus more easily sampled than their original, potentially sparse counterparts. After discussing the formal outline of the approach and devising techniques for its practical implementation, we illustrate the utility of the technique with a series of numerical applications to Lennard-Jones clusters of varying complexity and rare-event character.Comment: 24 pages, 16 figure

Facing the LISA Data Analysis Challenge

By being the first observatory to survey the source rich low frequency region of the gravitational wave spectrum, the Laser Interferometer Space Antenna (LISA) will revolutionize our understanding of the Cosmos. For the first time we will be able to detect the gravitational radiation from millions of galactic binaries, the coalescence of two massive black holes, and the inspirals of compact objects into massive black holes. The signals from multiple sources in each class, and possibly others as well, will be simultaneously present in the data. To achieve the enormous scientific return possible with LISA, sophisticated data analysis techniques must be developed which can mine the complex data in an effort to isolate and characterize individual signals. This proceedings paper very briefly summarizes the challenges associated with analyzing the LISA data, the current state of affairs, and the necessary next steps to move forward in addressing the imminent challenges.Comment: 4 pages, no figures, Proceedings paper for the TeV Particle Astrophysics II conference held Aug 28-31 at the Univ. of Wisconsi