scholarly journals Rigorous Upper Bound for the Discrete Bak–Sneppen Model

2021 ◽  
Vol 186 (1) ◽  
Author(s):  
Stanislav Volkov

AbstractFix some $$p\in [0,1]$$ p ∈ [ 0 , 1 ] and a positive integer n. The discrete Bak–Sneppen model is a Markov chain on the space of zero-one sequences of length n with periodic boundary conditions. At each moment of time a minimum element (typically, zero) is chosen with equal probability, and it is then replaced alongside both its neighbours by independent Bernoulli(p) random variables. Let $$\nu ^{(n)}(p)$$ ν ( n ) ( p ) be the probability that an element of this sequence equals one under the stationary distribution of this Markov chain. It was shown in Barbay and Kenyon (in Proceedings of the Twelfth Annual ACM-SIAM Symposium on Discrete Algorithms (Washington, DC, 2001), pp. 928–933, SIAM, Philadelphia, PA, 2001) that $$\nu ^{(n)}(p)\rightarrow 1$$ ν ( n ) ( p ) → 1 as $$n\rightarrow \infty $$ n → ∞ when $$p>0.54\dots $$ p > 0.54 ⋯ ; the proof there is, alas, not rigorous. The complimentary fact that $$\displaystyle \limsup _{n\rightarrow \infty } \nu ^{(n)}(p)< 1$$ lim sup n → ∞ ν ( n ) ( p ) < 1 for $$p\in (0,p')$$ p ∈ ( 0 , p ′ ) for some $$p'>0$$ p ′ > 0 is much harder; this was eventually shown in Meester and Znamenski (J Stat Phys 109:987–1004, 2002). The purpose of this note is to provide a rigorous proof of the result from Barbay and Kenyon (in Proceedings of the Twelfth Annual ACM-SIAM Symposium on Discrete Algorithms (Washington, DC, 2001), pp. 928–933, SIAM, Philadelphia, PA, 2001), as well as to improve it, by showing that $$\nu ^{(n)}(p)\rightarrow 1$$ ν ( n ) ( p ) → 1 when $$p>0.45$$ p > 0.45 . (Our method, in fact, shows that with some finer tuning the same is true for $$p>0.419533$$ p > 0.419533 .)

2019 ◽  
Author(s):  
Pier Paolo Poier ◽  
Louis Lagardere ◽  
Jean-Philip Piquemal ◽  
Frank Jensen

<div> <div> <div> <p>We extend the framework for polarizable force fields to include the case where the electrostatic multipoles are not determined by a variational minimization of the electrostatic energy. Such models formally require that the polarization response is calculated for all possible geometrical perturbations in order to obtain the energy gradient required for performing molecular dynamics simulations. </p><div> <div> <div> <p>By making use of a Lagrange formalism, however, this computational demanding task can be re- placed by solving a single equation similar to that for determining the electrostatic variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p><div><div><div> </div> </div> </div> <p> </p><div> <div> <div> <p>variables themselves. Using the recently proposed bond capacity model that describes molecular polarization at the charge-only level, we show that the energy gradient for non-variational energy models with periodic boundary conditions can be calculated with a computational effort similar to that for variational polarization models. The possibility of separating the equation for calculating the electrostatic variables from the energy expression depending on these variables without a large computational penalty provides flexibility in the design of new force fields. </p> </div> </div> </div> </div> </div> </div> </div> </div> </div>


Author(s):  
Robert Stegliński

AbstractIn this work, we establish optimal Lyapunov-type inequalities for the second-order difference equation with p-Laplacian $$\begin{aligned} \Delta (\left| \Delta u(k-1)\right| ^{p-2}\Delta u(k-1))+a(k)\left| u(k)\right| ^{p-2}u(k)=0 \end{aligned}$$ Δ ( Δ u ( k - 1 ) p - 2 Δ u ( k - 1 ) ) + a ( k ) u ( k ) p - 2 u ( k ) = 0 with Dirichlet, Neumann, mixed, periodic and anti-periodic boundary conditions.


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