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In geostatistics, Gaussian random fields are often used to model heterogeneities of soil or subsurface parameters. To give spatial approximations of these random fields, they are discretized. Then, different techniques of geostatistical…
McKean-Vlasov stochastic differential equations (MVSDEs) describe systems whose dynamics depend on both individual states and the population distribution, and they arise widely in neuroscience, finance, and epidemiology. In many…
We study a recently introduced gradient-based Markov chain Monte Carlo method based on 'Barker dynamics'. We provide a full derivation of the method from first principles, placing it within a wider class of continuous-time Markov jump…
Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of…
In a seminal paper (Weitz, 2006), Weitz gave a deterministic fully polynomial approximation scheme for count- ing exponentially weighted independent sets (equivalently, approximating the partition function of the hard-core model from…
We study dense packings of disks and related Gibbs distributions representing high-density phases in the hard-core model on unit triangular, honeycomb and square lattices. The model is characterized by a Euclidean exclusion distance $D>0$…
This paper introduces Discrete Markov Probabilistic Models (DMPMs), a novel discrete diffusion algorithm for discrete data generation. The algorithm operates in discrete bit space, where the noising process is a continuous-time Markov chain…
The dynamics of a system composed of inelastic hard spheres or disks that are confined between two parallel vertically vibrating walls is studied (the vertical direction is defined as the direction perpendicular to the walls). The distance…
Discrete-space kinetic models, i.e., Markov state models, have emerged as powerful tools for reducing the complexity of trajectories generated from molecular dynamics simulations. These models require configuration-space representations…
In statistical physics, the multivariate hard-core model describes a system of particles, each of which receives its own fugacity. In graph-theoretic language, the partition function of the model translates to the multivariate independence…
A Markov state model of the dynamics of a protein-like chain immersed in an implicit hard sphere solvent is derived from first principles for a system of monomers that interact via discontinuous potentials designed to account for local…
Many natural Markov chains fail to mix to their stationary distribution in polynomially many steps. Often, this slow mixing is inevitable since it is computationally intractable to sample from their stationary measure. Nevertheless, Markov…
We consider the numerical approximation of the filtering problem in high dimensions, that is, when the hidden state lies in $\mathbb{R}^d$ with $d$ large. For low dimensional problems, one of the most popular numerical procedures for…
A novel numerical approach to solving the shallow-water equations on the sphere using high-order numerical discretizations in both space and time is proposed. A space-time tensor formalism is used to express the equations of motion…
A comprehensive mathematical model of the multiphysics flow of blood and Cerebrospinal Fluid (CSF) in the brain can be expressed as the coupling of a poromechanics system and Stokes' equations: the first describes fluids filtration through…
Binary optimization has a wide range of applications in combinatorial optimization problems such as MaxCut, MIMO detection, and MaxSAT. However, these problems are typically NP-hard due to the binary constraints. We develop a novel…
Computing smoothing distributions, the distributions of one or more states conditional on past, present, and future observations is a recurring problem when operating on general hidden Markov models. The aim of this paper is to provide a…
Non-equilibrium Markov State Modeling (MSM) has recently been proposed [Phys. Rev. E 94, 053001 (2016)] as a possible route to construct a physical theory of sliding friction from a long steady state atomistic simulation: the approach…
Although exchangeable processes from Bayesian nonparametrics have been used as a generating mechanism for random partition models, we deviate from this paradigm to explicitly incorporate clustering information in the formulation of our…
We study the computational complexity of approximately counting the number of independent sets of a graph with maximum degree Delta. More generally, for an input graph G=(V,E) and an activity lambda>0, we are interested in the quantity…