相关论文: Assessing the efficiency of first-principles basin…

This paper addresses the equal circle packing problem, and proposes an efficient Quasi-physical Quasi-human (QPQH) algorithm. QPQH is based on a modified Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm which we call the local BFGS and a…

Collective behaviors such as swarming, chemical signaling, and clustering are fundamental to biological microorganisms, enabling hierarchical colony formation, coordinated motion, and enhanced nutrient accessibility crucial for their…

Given a point set S and an unknown metric d on S, we study the problem of efficiently partitioning S into k clusters while querying few distances between the points. In our model we assume that we have access to one versus all queries that…

Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work, we introduce a distinct computational high-throughput…

Considering the issue of estimating small probabilities p, ie. measuring a rare domain F = {x | g(x) > q} with respect to the distribution of a random vector X, Multilevel Splitting strategies (also called Subset Simulation) aim at writing…

This article addresses the problem of efficient Bayesian inference in dynamic systems using particle methods and makes a number of contributions. First, we develop a correlated pseudo-marginal (CPM) approach for Bayesian inference in state…

We determine the propagation properties of a quantum particle in a d-dimensional lattice with hopping disorder, delta-correlated in time. The system is delocalized: the averaged transition probability shows a diffusive behavior. Then,…

Cosmological simulations are essential for inferring cosmological and galaxy population properties based on forward-modelling, but this typically requires finding the population of (sub)haloes and galaxies that they contain. The properties…

We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular we focus on environments with a sub-Ohmic spectral…

We study a two-lane two-species exclusion process inspired by Lin et al. (C. Lin et al. J. Stat. Mech., 2011), that exhibits a non-equilibrium pulsing phase. Particles move on two parallel one-dimensional tracks, with one open and one…

In particle systems subject to a nonuniform drive, particle migration is observed from the driven to the non--driven region and vice--versa, depending on details of the hopping dynamics, leading to apparent violations of Fick's law and of…

The schooling behavior of fish can be studied through simulations involving a large number of interacting particles. In such systems, each individual particle is guided by behavior rules, which include aggregation towards a centroid,…

In this paper, we propose a new fuzzy clustering algorithm based on the mode-seeking framework. Given a dataset in $\mathbb{R}^d$, we define regions of high density that we call cluster cores. We then consider a random walk on a…

We study the transport properties of a system of active particles moving at constant speed in an heterogeneous two-dimensional space. The spatial heterogeneity is modeled by a random distribution of obstacles, which the active particles…

We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid…

Poisson log-linear models are ubiquitous in many applications, and one of the most popular approaches for parametric count regression. In the Bayesian context, however, there are no sufficient specific computational tools for efficient…

We present a cluster-based density-functional approach to model charge transport through molecular and atomic contacts. The electronic structure of the contacts is determined in the framework of density functional theory, and the parameters…

We introduce two models of biological aggregation, based on randomly moving particles with individual stochasticity depending on the perceived average population density in their neighbourhood. In the first-order model the location of each…

The theory community has proposed several new heap variants in the recent past which have remained largely untested experimentally. We take the field back to the drawing board, with straightforward implementations of both classic and novel…

A missing energy discovery is possible at the LHC with the first 100 pb-1 of understood data. We present a realistic strategy to rapidly narrow the list of candidate theories at, or close to, the moment of discovery. The strategy is based…