Time step rescaling recovers continuous-time dynamical properties for discrete-time Langevin integration of nonequilibrium systems

When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon desirable properties. However, for stochastic equations of motion (e.g., Langevin dynamics), there is still broad disagreement over which integration algorithms are most appropriate. While multiple desiderata have been proposed throughout the literature, consensus on which criteria are important is absent, and no published integration scheme satisfies all desiderata simultaneously. Additional nontrivial complications stem from simulating systems driven out of equilibrium using existing stochastic integration schemes in conjunction with recently-developed nonequilibrium fluctuation theorems. Here, we examine a family of discrete time integration schemes for Langevin dynamics, assessing how each member satisfies a variety of desiderata that have been enumerated in prior efforts to construct suitable Langevin integrators. We show that the incorporation of a novel time step rescaling in the deterministic updates of position and velocity can correct a number of dynamical defects in these integrators. Finally, we identify a particular splitting that has essentially universally appropriate properties for the simulation of Langevin dynamics for molecular systems in equilibrium, nonequilibrium, and path sampling contexts.Comment: 15 pages, 2 figures, and 2 table

Formal analysis techniques for gossiping protocols

We give a survey of formal verification techniques that can be used to corroborate existing experimental results for gossiping protocols in a rigorous manner. We present properties of interest for gossiping protocols and discuss how various formal evaluation techniques can be employed to predict them

Efficiency Analysis of Swarm Intelligence and Randomization Techniques

Swarm intelligence has becoming a powerful technique in solving design and scheduling tasks. Metaheuristic algorithms are an integrated part of this paradigm, and particle swarm optimization is often viewed as an important landmark. The outstanding performance and efficiency of swarm-based algorithms inspired many new developments, though mathematical understanding of metaheuristics remains partly a mystery. In contrast to the classic deterministic algorithms, metaheuristics such as PSO always use some form of randomness, and such randomization now employs various techniques. This paper intends to review and analyze some of the convergence and efficiency associated with metaheuristics such as firefly algorithm, random walks, and L\'evy flights. We will discuss how these techniques are used and their implications for further research.Comment: 10 pages. arXiv admin note: substantial text overlap with arXiv:1212.0220, arXiv:1208.0527, arXiv:1003.146