Statistical mechanics of lossy compression using multilayer perceptrons

Statistical mechanics is applied to lossy compression using multilayer perceptrons for unbiased Boolean messages. We utilize a tree-like committee machine (committee tree) and tree-like parity machine (parity tree) whose transfer functions are monotonic. For compression using committee tree, a lower bound of achievable distortion becomes small as the number of hidden units K increases. However, it cannot reach the Shannon bound even where K -> infty. For a compression using a parity tree with K >= 2 hidden units, the rate distortion function, which is known as the theoretical limit for compression, is derived where the code length becomes infinity.Comment: 12 pages, 5 figure

Driven interfaces in random media at finite temperature : is there an anomalous zero-velocity phase at small external force ?

The motion of driven interfaces in random media at finite temperature $T$ and small external force $F$ is usually described by a linear displacement $h_G(t) \sim V(F,T) t$ at large times, where the velocity vanishes according to the creep formula as $V(F,T) \sim e^{-K(T)/F^{\mu}}$ for $F \to 0$. In this paper, we question this picture on the specific example of the directed polymer in a two dimensional random medium. We have recently shown (C. Monthus and T. Garel, arxiv:0802.2502) that its dynamics for F=0 can be analyzed in terms of a strong disorder renormalization procedure, where the distribution of renormalized barriers flows towards some "infinite disorder fixed point". In the present paper, we obtain that for small $F$, this "infinite disorder fixed point" becomes a "strong disorder fixed point" with an exponential distribution of renormalized barriers. The corresponding distribution of trapping times then only decays as a power-law $P(\tau) \sim 1/\tau^{1+\alpha}$, where the exponent $\alpha(F,T)$ vanishes as $\alpha(F,T) \propto F^{\mu}$ as $F \to 0$. Our conclusion is that in the small force region $\alpha(F,T)<1$, the divergence of the averaged trapping time $\bar{\tau}=+\infty$ induces strong non-self-averaging effects that invalidate the usual creep formula obtained by replacing all trapping times by the typical value. We find instead that the motion is only sub-linearly in time $h_G(t) \sim t^{\alpha(F,T)}$, i.e. the asymptotic velocity vanishes V=0. This analysis is confirmed by numerical simulations of a directed polymer with a metric constraint driven in a traps landscape. We moreover obtain that the roughness exponent, which is governed by the equilibrium value $\zeta_{eq}=2/3$ up to some large scale, becomes equal to $\zeta=1$ at the largest scales.Comment: v3=final versio

Hard-disk equation of state: First-order liquid-hexatic transition in two dimensions with three simulation methods

We report large-scale computer simulations of the hard-disk system at high densities in the region of the melting transition. Our simulations reproduce the equation of state, previously obtained using the event-chain Monte Carlo algorithm, with a massively parallel implementation of the local Monte Carlo method and with event-driven molecular dynamics. We analyze the relative performance of these simulation methods to sample configuration space and approach equilibrium. Our results confirm the first-order nature of the melting phase transition in hard disks. Phase coexistence is visualized for individual configurations via the orientational order parameter field. The analysis of positional order confirms the existence of the hexatic phase.Comment: 9 pages, 8 figures, 2 table

Liquid-solid transitions in the three-body hard-core model

We determine the phase diagram for a generalisation of two-and three-dimensional hard spheres: a classical system with three-body interactions realised as a hard cut-off on the mean-square distance for each triplet of particles. Quantum versions of this model are important in the context of the unitary Bose gas, which is currently under close theoretical and experimental scrutiny. In two dimensions, the three-body hard-core model possesses a conventional atomic liquid phase and a peculiar solid phase formed by dimers. These dimers interact effectively as hard disks. In three dimensions, the solid phase consists of isolated atoms that arrange in a simple-hexagonal lattice.Comment: 6 pages, 8 figures; reorganized introduction, expanded 3D sectio

Molecular simulation from modern statistics: Continuous-time, continuous-space, exact

In a world made of atoms, the computer simulation of molecular systems, such as proteins in water, plays an enormous role in science. Software packages that perform these computations have been developed for decades. In molecular simulation, Newton's equations of motion are discretized and long-range potentials are treated through cutoffs or spacial discretization, which all introduce approximations and artifacts that must be controlled algorithmically. Here, we introduce a paradigm for molecular simulation that is based on modern concepts in statistics and is rigorously free of discretizations, approximations, and cutoffs. Our demonstration software reaches a break-even point with traditional molecular simulation at high precision. We stress the promise of our paradigm as a gold standard for critical applications and as a future competitive approach to molecular simulation.Comment: 19 pages, 4 figures; 18 pages supplementary materials, 1 supplementary figur

Mean properties and Free Energy of a few hard spheres confined in a spherical cavity

We use analytical calculations and event-driven molecular dynamics simulations to study a small number of hard sphere particles in a spherical cavity. The cavity is taken also as the thermal bath so that the system thermalizes by collisions with the wall. In that way, these systems of two, three and four particles, are considered in the canonical ensemble. We characterize various mean and thermal properties for a wide range of number densities. We study the density profiles, the components of the local pressure tensor, the interface tension, and the adsorption at the wall. This spans from the ideal gas limit at low densities to the high-packing limit in which there are significant regions of the cavity for which the particles have no access, due the conjunction of excluded volume and confinement. The contact density and the pressure on the wall are obtained by simulations and compared to exact analytical results. We also obtain the excess free energy for N=4, by using a simulated-assisted approach in which we combine simulation results with the knowledge of the exact partition function for two and three particles in a spherical cavity.Comment: 11 pages, 9 figures and two table

Fast, approximation-free molecular simulation of the SPC/Fw water model using non-reversible Markov chains

In a world made of atoms, computer simulations of molecular systems such as proteins in water play an enormous role in science. Software packages for molecular simulation have been developed for decades. They all discretize Hamilton’s equations of motion and treat long-range potentials through cutoffs or discretization of reciprocal space. This introduces severe approximations and artifacts that must be controlled algorithmically. Here, we bring to fruition a paradigm for molecular simulation that relies on modern concepts in statistics to explore the thermodynamic equilibrium with an exact and efficient non-reversible Markov process. It is free of all discretizations, approximations, and cutoffs. We explicitly demonstrate that this approach reaches a break-even point with traditional molecular simulation performed at high precision, but without any of its approximations. We stress the potential of our paradigm for crucial applications in biophysics and other fields, and as a practical approach to molecular simulation. We set out a strategy to reach our goal of rigorous molecular simulation