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We simulate several models of random curves in the half plane and numerically compute their stochastic driving process (as given by the Loewner equation). Our models include models whose scaling limit is the Schramm-Loewner evolution (SLE)…

Probability · Mathematics 2011-05-12 Tom Kennedy

We initiate the systematic study of the energy complexity of algorithms (in addition to time and space complexity) based on Landauer's Principle in physics, which gives a lower bound on the amount of energy a system must dissipate if it…

Data Structures and Algorithms · Computer Science 2016-05-30 Erik D. Demaine , Jayson Lynch , Geronimo J. Mirano , Nirvan Tyagi

Recent analyses have calculated the minimal thermodynamic work required to perform a computation pi when two conditions hold: the output of pi is independent of its input (e.g., as in bit erasure); we use a physical computer C to implement…

Statistical Mechanics · Physics 2015-11-26 David H. Wolpert

We consider a rudimentary model for a heat engine, known as the Brownian gyrator, that consists of an overdamped system with two degrees of freedom in an anisotropic temperature field. Whereas the hallmark of the gyrator is a nonequilibrium…

Statistical Mechanics · Physics 2021-10-13 Olga Movilla Miangolarra , Amirhossein Taghvaei , Rui Fu , Yongxin Chen , Tryphon T. Georgiou

The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…

Estimating free energy differences, an important problem in computational drug discovery and in a wide range of other application areas, commonly involves a computationally intensive process of sampling a family of high-dimensional…

Starting with a set of weighted items, we want to create a generic sample of a certain size that we can later use to estimate the total weight of arbitrary subsets. For this purpose, we propose priority sampling which tested on Internet…

Data Structures and Algorithms · Computer Science 2007-05-23 Nick Duffield , Carsten Lund , Mikkel Thorup

Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the…

Numerical Analysis · Mathematics 2024-04-22 Dominic Phillips , Charles Matthews , Benedict Leimkuhler

Landauer's Principle states that the energy cost of information processing must exceed the product of the temperature and the change in Shannon entropy of the information-bearing degrees of freedom. However, this lower bound is achievable…

Statistical Mechanics · Physics 2019-01-01 A. B. Boyd , A. Patra , C. Jarzynski , J. P. Crutchfield

As inductive inference and machine learning methods in computer science see continued success, researchers are aiming to describe ever more complex probabilistic models and inference algorithms. It is natural to ask whether there is a…

Logic · Mathematics 2019-11-19 Nathanael L. Ackerman , Cameron E. Freer , Daniel M. Roy

Equality-constrained models naturally arise in problems in which measurements are taken at different levels of resolution. The challenge in this setting is that the models usually induce a joint distribution which is intractable. Resorting…

Computation · Statistics 2025-04-28 Shenggang Hu , Hongsheng Dai , Fanlin Meng , Louis Aslett , Murray Pollock , Gareth O. Roberts

We solve the problem of optimal stopping of a Brownian motion subject to the constraint that the stopping time's distribution is a given measure consisting of finitely-many atoms. In particular, we show that this problem can be converted to…

Optimization and Control · Mathematics 2017-07-07 Erhan Bayraktar , Christopher W. Miller

Brownian Dynamics simulations are an important tool for modeling the dynamics of soft matter. However, accurate and rapid computations of the hydrodynamic interactions between suspended, microscopic components in a soft material is a…

Fluid Dynamics · Physics 2018-03-14 Andrew M. Fiore , James W. Swan

While quantum speed-up in solving certain decision problems by a fault-tolerant universal quantum computer has been promised, a timely research interest includes how far one can reduce the resource requirement to demonstrate a provable…

Quantum Physics · Physics 2018-01-01 Jacob Miller , Stephen Sanders , Akimasa Miyake

Quantum computers are unnecessary for exponentially-efficient computation or simulation if the Extended Church-Turing thesis---a foundational tenet of computer science---is correct. The thesis would be directly contradicted by a physical…

Sampling the Boltzmann distribution using forces that violate detailed balance can be faster than with the equilibrium evolution, but the acceleration depends on the nature of the nonequilibrium drive and the physical situation. Here, we…

Soft Condensed Matter · Physics 2023-12-20 Federico Ghimenti , Ludovic Berthier , Grzegorz Szamel , Frédéric van Wijland

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

In this article, we focus on the sampling of the configurational Gibbs-Boltzmann distribution, that is, the calculation of averages of functions of the position coordinates of a molecular $N$-body system modelled at constant temperature. We…

Numerical Analysis · Mathematics 2025-04-30 Benedict Leimkuhler , Charles Matthews

Sampling from an unnormalized probability distribution is a fundamental problem in machine learning with applications including Bayesian modeling, latent factor inference, and energy-based model training. After decades of research,…

Machine Learning · Computer Science 2022-01-03 Greg Ver Steeg , Aram Galstyan

Universal quantum computers promise a dramatic speed-up over classical computers but a full-size realization remains challenging. However, intermediate quantum computational models have been proposed that are not universal, but can solve…