2,430 research outputs found
An equation-free computational approach for extracting population-level behavior from individual-based models of biological dispersal
The movement of many organisms can be described as a random walk at either or
both the individual and population level. The rules for this random walk are
based on complex biological processes and it may be difficult to develop a
tractable, quantitatively-accurate, individual-level model. However, important
problems in areas ranging from ecology to medicine involve large collections of
individuals, and a further intellectual challenge is to model population-level
behavior based on a detailed individual-level model. Because of the large
number of interacting individuals and because the individual-level model is
complex, classical direct Monte Carlo simulations can be very slow, and often
of little practical use. In this case, an equation-free approach may provide
effective methods for the analysis and simulation of individual-based models.
In this paper we analyze equation-free coarse projective integration. For
analytical purposes, we start with known partial differential equations
describing biological random walks and we study the projective integration of
these equations. In particular, we illustrate how to accelerate explicit
numerical methods for solving these equations. Then we present illustrative
kinetic Monte Carlo simulations of these random walks and show a decrease in
computational time by as much as a factor of a thousand can be obtained by
exploiting the ideas developed by analysis of the closed form PDEs. The
illustrative biological example here is chemotaxis, but it could be any random
walker which biases its movement in response to environmental cues.Comment: 30 pages, submitted to Physica
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
Rotated sphere packing designs
We propose a new class of space-filling designs called rotated sphere packing
designs for computer experiments. The approach starts from the asymptotically
optimal positioning of identical balls that covers the unit cube. Properly
scaled, rotated, translated and extracted, such designs are excellent in
maximin distance criterion, low in discrepancy, good in projective uniformity
and thus useful in both prediction and numerical integration purposes. We
provide a fast algorithm to construct such designs for any numbers of
dimensions and points with R codes available online. Theoretical and numerical
results are also provided
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