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The slow processes of metastable stochastic dynamical systems are difficult to access by direct numerical simulation due the sampling problem. Here, we suggest an approach for modeling the slow parts of Markov processes by approximating the…

Mathematical Physics · Physics 2012-12-03 Frank Noé , Feliks Nüske

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements,…

Statistical Mechanics · Physics 2018-05-25 Diego Tapias , David P. Sanders , Eduardo G. Altmann

Simulated annealing is an effective and general means of optimization. It is in fact inspired by metallurgy, where the temperature of a material determines its behavior in thermodynamics. Likewise, in simulated annealing, the actions that…

Machine Learning · Computer Science 2020-07-01 Avrim Blum , Chen Dan , Saeed Seddighin

Models of biological systems often have many unknown parameters that must be determined in order for model behavior to match experimental observations. Commonly-used methods for parameter estimation that return point estimates of the…

Quantitative Methods · Quantitative Biology 2018-01-31 Sanjana Gupta , Liam Hainsworth , Justin S. Hogg , Robin E. C. Lee , James R. Faeder

Solving decision problems in complex, stochastic environments is often achieved by estimating the expected outcome of decisions via Monte Carlo sampling. However, sampling may overlook rare, but important events, which can severely impact…

Machine Learning · Statistics 2023-05-16 Lachlan Gibson , Marcus Hoerger , Dirk Kroese

Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been…

Quantum Physics · Physics 2021-02-22 Elizabeth Crosson , Aram W. Harrow

Simulating transition dynamics between metastable states is a fundamental challenge in dynamical systems and stochastic processes with wide real-world applications in understanding protein folding, chemical reactions and neural activities.…

Machine Learning · Computer Science 2024-10-22 Haibo Wang , Yuxuan Qiu , Yanze Wang , Rob Brekelmans , Yuanqi Du

The local computation of Linial [FOCS'87] and Naor and Stockmeyer [STOC'93] concerns with the question of whether a locally definable distributed computing problem can be solved locally: for a given local CSP whether a CSP solution can be…

Data Structures and Algorithms · Computer Science 2022-09-09 Weiming Feng , Yuxin Sun , Yitong Yin

A new algorithm has been developed to compute low Mach Numbers supercritical fluid flows. The algorithm is applied using a finite volume method based on the SIMPLER algorithm. Its main advantages are to decrease significantly the CPU time,…

Classical Physics · Physics 2007-08-21 Jalil Ouazzani , Yves Garrabos

Following [21, 23], the present work investigates a new relative entropy-regularized algorithm for solving the optimal transport on a graph problem within the randomized shortest paths formalism. More precisely, a unit flow is injected into…

Machine Learning · Computer Science 2021-09-21 Sylvain Courtain , Guillaume Guex , Ilkka Kivimaki , Marco Saerens

We propose an efficient Markov Chain Monte Carlo method for sampling equilibrium distributions for stochastic lattice models, capable of handling correctly long and short-range particle interactions. The proposed method is a Metropolis-type…

Numerical Analysis · Mathematics 2010-06-21 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac

The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the…

chem-ph · Physics 2009-10-22 Reinhold Egger , C. H. Mak

Sampling from a lattice Gaussian distribution is emerging as an important problem in various areas such as coding and cryptography. The default sampling algorithm --- Klein's algorithm yields a distribution close to the lattice Gaussian…

Information Theory · Computer Science 2016-11-18 Zheng Wang , Cong Ling , Guillaume Hanrot

The Gaussian process (GP) is a popular way to specify dependencies between random variables in a probabilistic model. In the Bayesian framework the covariance structure can be specified using unknown hyperparameters. Integrating over these…

Computation · Statistics 2010-11-01 Iain Murray , Ryan Prescott Adams

We consider the problem of inferring a latent function in a probabilistic model of data. When dependencies of the latent function are specified by a Gaussian process and the data likelihood is complex, efficient computation often involve…

Machine Learning · Statistics 2018-07-23 Martin Tegner , Benjamin Bloem-Reddy , Stephen Roberts

A quantum system coupled to a bath at some fixed, finite temperature converges to its Gibbs state. This thermalization process defines a natural, physically-motivated model of quantum computation. However, whether quantum computational…

Quantum Physics · Physics 2025-01-15 Thiago Bergamaschi , Chi-Fang Chen , Yunchao Liu

Integrated tempering sampling (ITS) method is an approach to enhance the sampling over a broad range of energies and temperatures in computer simulations. In this paper, a new version of integrated tempering sampling method is proposed. In…

Computational Physics · Physics 2015-06-15 Peng Zhao , Li Jiang Yang , Yi Qin Gao , Zhong-Yuan Lu

We present a simple, parallel and distributed algorithm for setting up and partitioning a sparse representation of a regular discretized simulation domain. This method is scalable for a large number of processes even for complex geometries…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-09 Markus Wittmann , Thomas Zeiser , Georg Hager , Gerhard Wellein

We present exact calculations of partition function $Z$ of the $q$-state Potts model with next-nearest-neighbor spin-spin couplings, both for the ferromagnetic and antiferromagnetic case, for arbitrary temperature, on $n$-vertex strip…

Statistical Mechanics · Physics 2009-10-31 Shu-Chiuan Chang , Robert Shrock

Partition of unity methods (PUMs) on graphs are simple and highly adaptive auxiliary tools for graph signal processing. Based on a greedy-type metric clustering and augmentation scheme, we show how a partition of unity can be generated in…

Signal Processing · Electrical Eng. & Systems 2020-12-22 Roberto Cavoretto , Alessandra De Rossi , Wolfgang Erb
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