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Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent…

Soft Condensed Matter · Physics 2011-11-09 Rudolf M. Füchslin , Harold Fellermann , Anders Eriksson , Hans-Joachim Ziock

Stochastic dynamics, such as molecular dynamics, are important in many scientific applications. However, summarizing and analyzing the results of such simulations is often challenging, due to the high dimension in which simulations are…

Dynamical Systems · Mathematics 2023-09-11 David Aristoff , Mats Johnson , Danny Perez

Algorithms proposed for solving high-dimensional optimization problems with no derivative information frequently encounter the "curse of dimensionality," becoming ineffective as the dimension of the parameter space grows. One feature of a…

Optimization and Control · Mathematics 2020-04-28 Dmitry Pozharskiy , Noah J. Wichrowski , Andrew B. Duncan , Grigorios A. Pavliotis , Ioannis G. Kevrekidis

Generating large-scale samples of stationary random fields is of great importance in the fields such as geomaterial modeling and uncertainty quantification. Traditional methodologies based on covariance matrix decomposition have the…

Methodology · Statistics 2022-08-23 Bin Zhu , Jiahao Liu , Zhengshou Lai , Tao Qian

We study coarse-graining methods for stochastic differential equations. In particular we consider averaging and a type of projection operator method, sometimes referred to as effective dynamic via conditional expectations. The projection…

Probability · Mathematics 2025-06-19 Manh Hong Duong , Carsten Hartmann , Michela Ottobre

Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system for many…

Computational Engineering, Finance, and Science · Computer Science 2021-04-09 Shu Wang , Zhan Ma , Wenxiao Pan

A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Machine Learning · Computer Science 2023-12-29 Ellis R. Crabtree , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

Mouse-tracking recording techniques are becoming very attractive in experimental psychology. They provide an effective means of enhancing the measurement of some real-time cognitive processes involved in categorization, decision-making, and…

Applications · Statistics 2019-12-18 Antonio Calcagnì , Luigi Lombardi , Marco D'Alessandro

We present a new behavioural distance over the state space of a Markov decision process, and demonstrate the use of this distance as an effective means of shaping the learnt representations of deep reinforcement learning agents. While…

Machine Learning · Computer Science 2022-01-25 Pablo Samuel Castro , Tyler Kastner , Prakash Panangaden , Mark Rowland

To understand the long-run behavior of Markov population models, the computation of the stationary distribution is often a crucial part. We propose a truncation-based approximation that employs a state-space lumping scheme, aggregating…

Machine Learning · Statistics 2021-05-05 Michael Backenköhler , Luca Bortolussi , Gerrit Großmann , Verena Wolf

Quantum state tomography often operates in the highly idealised scenario of assuming perfect measurements. The errors implied by such an approach are entwined with other imperfections relating to the information processing protocol or…

Quantum Physics · Physics 2020-09-04 Dale Scerri , Erik M. Gauger , George C. Knee

We propose a probabilistic model for refining coarse-grained spatial data by utilizing auxiliary spatial data sets. Existing methods require that the spatial granularities of the auxiliary data sets are the same as the desired granularity…

Machine Learning · Statistics 2019-07-19 Yusuke Tanaka , Tomoharu Iwata , Toshiyuki Tanaka , Takeshi Kurashima , Maya Okawa , Hiroyuki Toda

State-space models are commonly used to describe different forms of ecological data. We consider the case of count data with observation errors. For such data the system process is typically multi-dimensional consisting of coupled Markov…

Methodology · Statistics 2017-08-15 Axel Finke , Ruth King , Alexandros Beskos , Petros Dellaportas

A novel scheme to simulate the evolution of a restricted set of observables of a quantum system is proposed. The set comprises the spectrum-generating algebra of the Hamiltonian. The idea is to consider a certain open-system evolution,…

Quantum Physics · Physics 2009-11-13 M. Khasin , R. Kosloff

We review a few representative examples of granular experiments or models where phase separation, accompanied by domain coarsening, is a relevant phenomenon. We first elucidate the intrinsic non-equilibrium, or athermal, nature of granular…

Statistical Mechanics · Physics 2015-04-29 Andrea Baldassarri , Andrea Puglisi , Alessandro Sarracino

The aim of this work is the description of the chain formation phenomena observed in colloidal suspensions of superparamagnetic nanoparticles under high magnetic fields. We propose a new methodology based on an on-the-fly Coarse-Grain (CG)…

Soft Condensed Matter · Physics 2012-03-28 Jordi S. Andreu , Carles Calero , Juan Camacho , Jordi Faraudo

We propose and investigate a method for identifying timescales of dissipation in nonequilibrium steady states modeled as discrete-state Markov jump processes. The method is based on how the irreversibility-measured by the statistical…

Statistical Mechanics · Physics 2023-07-24 Freddy A. Cisneros , Nikta Fakhri , Jordan M. Horowitz

In the analysis of Markov chains and processes, it is sometimes convenient to replace an unbounded state space with a "truncated" bounded state space. When such a replacement is made, one often wants to know whether the equilibrium behavior…

Probability · Mathematics 2022-06-24 Alex Infanger , Peter W. Glynn

Data-driven, model-free analytics are natural choices for discovery and forecasting of complex, nonlinear systems. Methods that operate in the system state-space require either an explicit multidimensional state-space, or, one approximated…

Machine Learning · Statistics 2021-03-15 Joseph Park , Gerald M Pao , Erik Stabenau , George Sugihara , Thomas Lorimer

Based on a first order gradient expansion a consistent transport equation is derived for a nonrelativistic system beyond the quasiparticle approximation, i.e. for a regime where the dynamically generated width of the states is allowed to be…

Nuclear Theory · Physics 2009-10-31 Stefan Leupold