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Simulations with an adaptive time-dependent bias, such as metadynamics, enable an efficient exploration of the conformational space of a system. However, the dynamic information of the system is altered by the bias. With infrequent…

Experimental quantum simulators have become large and complex enough that discovering new physics from the huge amount of measurement data can be quite challenging, especially when little theoretical understanding of the simulated model is…

Quantum Physics · Physics 2020-12-08 Alexander Lidiak , Zhexuan Gong

In computer experiments, a mathematical model implemented on a computer is used to represent complex physical phenomena. These models, known as computer simulators, enable experimental study of a virtual representation of the complex…

Methodology · Statistics 2012-07-03 Hugh Chipman , Pritam Ranjan , Weiwei Wang

Realisation of experiments even on small and medium-scale quantum computers requires an optimisation of several parameters to achieve high-fidelity operations. As the size of the quantum register increases, the characterisation of quantum…

Quantum Physics · Physics 2020-08-11 F. Martínez-García , D. Vodola , M. Müller

We present a machine-learning method for predicting sharp transitions in a Hamiltonian phase diagram by extrapolating the properties of quantum systems. The method is based on Gaussian Process regression with a combination of kernels chosen…

Other Condensed Matter · Physics 2019-04-26 Rodrigo A. Vargas-Hernández , John Sous , Mona Berciu , Roman V. Krems

Momentum methods play a significant role in optimization. Examples include Nesterov's accelerated gradient method and the conditional gradient algorithm. Several momentum methods are provably optimal under standard oracle models, and all…

Optimization and Control · Mathematics 2018-03-13 Ashia C. Wilson , Benjamin Recht , Michael I. Jordan

In this paper we discuss analogue computers based on quantum optical systems accelerating dynamic programming for some computational problems. These computers, at least in principle, can be realized by actually existing devices. We estimate…

Quantum Physics · Physics 2010-11-24 D. Grigoriev , A. Kazakov , S. Vakulenko

I propose a numerical simulation algorithm for statistical systems which combines a microcanonical transfer of energy with global changes in clusters of spins. The advantages of the cluster approach near a critical point augment the speed…

High Energy Physics - Lattice · Physics 2009-10-22 Michael Creutz

A computer code or simulator is a mathematical representation of a physical system, for example a set of differential equations. Running the code with given values of the vector of inputs, x, leads to an output y(x) or several such outputs.…

Methodology · Statistics 2016-01-25 Derek Bingham , Pritam Ranjan , William Welch

A new approach of obtaining stratified random samples from statistically dependent random variables is described. The proposed method can be used to obtain samples from the input space of a computer forward model in estimating expectations…

Methodology · Statistics 2019-11-25 Anirban Mondal , Abhijit Mandal

Understanding how people view and interact with autonomous vehicles is important to guide future directions of research. One such way of aiding understanding is through simulations of virtual environments involving people and autonomous…

Robotics · Computer Science 2020-08-27 John Charlton , Luis Rene Montana Gonzalez , Steve Maddock , Paul Richmond

In this work, we develop an accelerated sharp-interface method based on (Hu et al., JCP, 2006) and (Luo et al., JCP, 2015) for multiphase flows simulations. Traditional multiphase simulation methods use the minimum time step of all fluids…

Computational Physics · Physics 2019-05-13 Tian Long , Jinsheng Cai , Shucheng Pan

We proposed two different methods for simulating theta-vacuum systems. Both can be affected by systematic effects but these errors can be controlled by comparing the results of the two unrelated methods. This has been done for some…

High Energy Physics - Lattice · Physics 2009-11-10 V. Azcoiti , G. Di Carlo , A. Galante , V. Laliena

A method of representation of a solution as segments of the series in powers of the step of the independent variable is expanded for solving complex systems of ordinary differential equations (ODE): the Lorenz system and other systems. A…

Numerical Analysis · Computer Science 2014-05-26 Vladimir Aristov , Andrey Stroganov

A model for comminution processes in ball mills is presented. The model provides an empirical approach using the physically realistic modelization of the ball mill system, but also deployes the statistical method to extract relevant…

Computational Physics · Physics 2009-09-29 F. Nurdiana , Muhandis , A. S. Wismogroho , N. T. Rochman , L. T. Handoko

With the rapid progress in quantum hardware and software, the need for verification of quantum systems becomes increasingly crucial. While model checking is a dominant and very successful technique for verifying classical systems, its…

Data Structures and Algorithms · Computer Science 2025-03-07 Xin Hong , Dingchao Gao , Sanjiang Li , Shenggang Ying , Mingsheng Ying

The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…

Computational Physics · Physics 2023-03-23 Sebastian Falkner , Alessandro Coretti , Christoph Dellago

This note proposes a procedure for enhancing the quality of probabilistic prediction algorithms via betting against their predictions. It is inspired by the success of the conformal test martingales that have been developed recently.

Machine Learning · Computer Science 2021-05-19 Vladimir Vovk

Master equations are probably the most fundamental equations for anyone working in quantum optics in the presence of dissipation. In this context it is then incredibly useful to have efficient ways of coding and simulating such equations in…

Quantum Physics · Physics 2015-04-23 Carlos Navarrete-Benlloch

There are several forms of irreducibility in computing systems, ranging from undecidability to intractability to nonlinearity. This paper is an exploration of the conceptual issues that have arisen in the course of investigating speed-up…

Computational Complexity · Computer Science 2011-06-24 Hector Zenil , Fernando Soler-Toscano , Joost J. Joosten