Status and Future Perspectives for Lattice Gauge Theory Calculations to the Exascale and Beyond

In this and a set of companion whitepapers, the USQCD Collaboration lays out a program of science and computing for lattice gauge theory. These whitepapers describe how calculation using lattice QCD (and other gauge theories) can aid the interpretation of ongoing and upcoming experiments in particle and nuclear physics, as well as inspire new ones.Comment: 44 pages. 1 of USQCD whitepapers

Domain decomposition and multilevel integration for fermions

The numerical computation of many hadronic correlation functions is exceedingly difficult due to the exponentially decreasing signal-to-noise ratio with the distance between source and sink. Multilevel integration methods, using independent updates of separate regions in space-time, are known to be able to solve such problems but have so far been available only for pure gauge theory. We present first steps into the direction of making such integration schemes amenable to theories with fermions, by factorizing a given observable via an approximated domain decomposition of the quark propagator. This allows for multilevel integration of the (large) factorized contribution to the observable, while its (small) correction can be computed in the standard way.Comment: 14 pages, 6 figures, v2: published version, talk presented at the 34th annual International Symposium on Lattice Field Theory, 24-30 July 2016, University of Southampton, U

Gene regulatory networks: a coarse-grained, equation-free approach to multiscale computation

We present computer-assisted methods for analyzing stochastic models of gene regulatory networks. The main idea that underlies this equation-free analysis is the design and execution of appropriately-initialized short bursts of stochastic simulations; the results of these are processed to estimate coarse-grained quantities of interest, such as mesoscopic transport coefficients. In particular, using a simple model of a genetic toggle switch, we illustrate the computation of an effective free energy and of a state-dependent effective diffusion coefficient that characterize an unavailable effective Fokker-Planck equation. Additionally we illustrate the linking of equation-free techniques with continuation methods for performing a form of stochastic "bifurcation analysis"; estimation of mean switching times in the case of a bistable switch is also implemented in this equation-free context. The accuracy of our methods is tested by direct comparison with long-time stochastic simulations. This type of equation-free analysis appears to be a promising approach to computing features of the long-time, coarse-grained behavior of certain classes of complex stochastic models of gene regulatory networks, circumventing the need for long Monte Carlo simulations.Comment: 33 pages, submitted to The Journal of Chemical Physic