Algorithms for hard-constraint point processes via discretization

TL;DR

This paper develops improved discretization techniques for hard-sphere and Widom-Rowlinson models, enabling efficient deterministic approximation and sampling algorithms for their partition functions across a wide parameter range.

Contribution

It introduces refined discretization conditions that allow for deterministic approximation algorithms for the partition functions of these models, extending previous results to more general settings.

Findings

First quasi-polynomial deterministic approximation algorithm for the hard-sphere model.

Simplified fully polynomial randomized approximation algorithm.

Best known deterministic and randomized bounds for Widom-Rowlinson model.

Abstract

We study algorithmic applications of a natural discretization for the hard-sphere model and the Widom-Rowlinson model in a region $\mathbb{V}\subset\mathbb{R}^d$. These models are used in statistical physics to describe mixtures of one or multiple particle types subjected to hard-core interactions. For each type, particles follow a Poisson point process with a type specific activity parameter (fugacity). The Gibbs distribution is characterized by the mixture of these point processes conditioned that no two particles are closer than a type-dependent distance threshold. A key part in better understanding the Gibbs distribution is its normalizing constant, called partition function. We give sufficient conditions that the partition function of a discrete hard-core model on a geometric graph based on a point set $X \subset \mathbb{V}$ closely approximates those of such continuous models. Previously, this was only shown for the hard-sphere model on cubic regions $\mathbb{V}=[0, \ell)^d$ when $X$ is exponential in the volume of the region $\nu(\mathbb{V})$, limiting algorithmic applications. In the same setting, our refined analysis only requires a quadratic number of points, which we argue to be tight. We use our improved discretization results to approximate the partition functions of the hard-sphere model and the Widom-Rowlinson efficiently in $\nu(\mathbb{V})$. For the hard-sphere model, we obtain the first quasi-polynomial deterministic approximation algorithm for the entire fugacity regime for which, so far, only randomized approximations are known. Furthermore, we simplify a recently introduced fully polynomial randomized approximation algorithm. Similarly, we obtain the best known deterministic and randomized approximation bounds for the Widom-Rowlinson model. Moreover, we obtain approximate sampling algorithms for the respective spin systems within the same fugacity regimes.