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We introduce a new update scheme to systematically improve the efficiency of parallel tempering simulations. We show that by adapting the number of sweeps between replica exchanges to the canonical autocorrelation time, the average…

Statistical Mechanics · Physics 2008-09-26 Elmar Bittner , Andreas Nussbaumer , Wolfhard Janke

As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…

Chemical Physics · Physics 2020-02-17 Mariia Karabin , Steven J. Stuart

In building management, usually static thermal setpoints are used to maintain the inside temperature of a building at a comfortable level irrespective of its occupancy. This strategy can cause a massive amount of energy wastage and…

Machine Learning · Computer Science 2022-01-20 Rakshitha Godahewa , Chang Deng , Arnaud Prouzeau , Christoph Bergmeir

Quantum Boltzmann machines are natural quantum generalizations of Boltzmann machines that are expected to be more expressive than their classical counterparts, as evidenced both numerically for small systems and asymptotically under various…

Quantum Physics · Physics 2019-03-05 Eric R. Anschuetz , Yudong Cao

Metastability is a formidable challenge to Markov chain Monte Carlo methods. In this paper we present methods for algorithm design to meet this challenge. The design problem we consider is temperature selection for the infinite swapping…

Probability · Mathematics 2020-11-12 Paul Dupuis , Guo-Jhen Wu

In the last few years, quantum computing and machine learning fostered rapid developments in their respective areas of application, introducing new perspectives on how information processing systems can be realized and programmed. The…

This paper considers the problem of distributed model fitting using the alternating directions method of multipliers (ADMM). ADMM splits the learning problem into several smaller subproblems, usually by partitioning the data samples. The…

Optimization and Control · Mathematics 2022-03-04 Dinesh Krishnamoorthy , Vyacheslav Kungurtsev

Recent research has focused on designing neural samplers that amortize the process of sampling from unnormalized densities. However, despite significant advancements, they still fall short of the state-of-the-art MCMC approach, Parallel…

This study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at high temperatures in condensed…

Quantum Physics · Physics 2024-06-17 Jack Y. Araz , Michael Spannowsky , Matthew Wingate

Bayesian neural learning feature a rigorous approach to estimation and uncertainty quantification via the posterior distribution of weights that represent knowledge of the neural network. This not only provides point estimates of optimal…

Machine Learning · Computer Science 2018-11-13 Rohitash Chandra , Konark Jain , Ratneel V. Deo , Sally Cripps

We present an adaptive multi-GPU Exchange Monte Carlo method designed for the simulation of the 3D Random Field Model. The algorithm design is based on a two-level parallelization scheme that allows the method to scale its performance in…

Computational Physics · Physics 2016-08-10 C. A. Navarro , Wei Huang , Youjin Deng

Parallel tempering (PT) methods are a popular class of Markov chain Monte Carlo schemes used to sample complex high-dimensional probability distributions. They rely on a collection of $N$ interacting auxiliary chains targeting tempered…

Computation · Statistics 2021-07-28 Saifuddin Syed , Alexandre Bouchard-Côté , George Deligiannidis , Arnaud Doucet

Mixed-signal artificial neural networks (ANNs) that employ analog matrix-multiplication accelerators can achieve higher speed and improved power efficiency. Though analog computing is known to be susceptible to noise and device…

Signal Processing · Electrical Eng. & Systems 2021-07-01 Joseph Ulseth , Zheyuan Zhu , Guifang Li , Shuo Pang

We apply adaptive feedback for the partial refrigeration of a mechanical resonator, i.e. with the aim to simultaneously cool the classical thermal motion of more than one vibrational degree of freedom. The feedback is obtained from a neural…

Quantum Physics · Physics 2020-03-09 Christian Sommer , Muhammad Asjad , Claudiu Genes

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

Chemical Physics · Physics 2025-06-10 Junfan Xia , Bin Jiang

A Boltzmann machine whose effective "temperature" can be dynamically "cooled" provides a stochastic neural network realization of simulated annealing, which is an important metaheuristic for solving combinatorial or global optimization…

Emerging Technologies · Computer Science 2019-05-16 Tong Wu , Huan Zhao , Fanxin Liu , Jing Guo , Han Wang

Equilibrium propagation is a recently introduced method to use and train artificial neural networks in which the network is at the minimum (more generally extremum) of an energy functional. Equilibrium propagation has shown good performance…

Quantum Physics · Physics 2024-12-03 Serge Massar , Bortolo Matteo Mognetti

Simulated annealing solves global optimization problems by means of a random walk in a cooling energy landscape based on the objective function and a temperature parameter. However, if the temperature is decreased too quickly, this…

Optimization and Control · Mathematics 2025-04-14 Vincent Molin , Axel Ringh , Moritz Schauer , Akash Sharma

It is now well known that neural networks can be wrong with high confidence in their predictions, leading to poor calibration. The most common post-hoc approach to compensate for this is to perform temperature scaling, which adjusts the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Tom Joy , Francesco Pinto , Ser-Nam Lim , Philip H. S. Torr , Puneet K. Dokania

The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…

Quantum Physics · Physics 2026-05-14 Dominik Hahn , Ryan Sweke , Abhinav Deshpande , Oles Shtanko