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Quantum annealing method has been widely attracted attention in statistical physics and information science since it is expected to be a powerful method to obtain the best solution of optimization problem as well as simulated annealing. The…

Disordered Systems and Neural Networks · Physics 2017-08-23 Shu Tanaka , Ryo Tamura

The population annealing algorithm is a population-based equilibrium version of simulated annealing. It can sample thermodynamic systems with rough free-energy landscapes more efficiently than standard Markov chain Monte Carlo alone. A…

Statistical Mechanics · Physics 2024-01-17 Denis Gessert , Wolfhard Janke , Martin Weigel

Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for understanding and predicting the time- and temperature-dependent…

Materials Science · Physics 2022-08-31 Shyamal Roy , Arun Prakash , Stefan Sandfeld

A common workflow for many engineering design problems requires the evaluation of the design system to be investigated under a range of conditions. These conditions usually involve a combination of several parameters. To perform a complete…

Computational Engineering, Finance, and Science · Computer Science 2020-09-18 J. H. Gaspar Elsas , N. A. G. Casaprima , I. F. M. Menezes

As robots and other intelligent agents move from simple environments and problems to more complex, unstructured settings, manually programming their behavior has become increasingly challenging and expensive. Often, it is easier for a…

Robotics · Computer Science 2018-11-19 Takayuki Osa , Joni Pajarinen , Gerhard Neumann , J. Andrew Bagnell , Pieter Abbeel , Jan Peters

As temperature drops, molecular systems may undergo spontaneous ordering, moving from random behavior to orderly structure. This research demonstrates a direct analogy between this type of thermodynamic ordering in molecular systems and the…

Logic in Computer Science · Computer Science 2025-11-04 ShivKishan Dubey , Rohit Sharma

Increasingly large datasets of robot actions and sensory observations are being collected to train ever-larger neural networks. These datasets are collected based on tasks and while these tasks may be distinct in their descriptions, many…

Robotics · Computer Science 2025-10-23 Basavasagar Patil , Sydney Belt , Jayjun Lee , Nima Fazeli , Bernadette Bucher

The Metropolis process (MP) and Simulated Annealing (SA) are stochastic local search heuristics that are often used in solving combinatorial optimization problems. Despite significant interest, there are very few theoretical results…

Data Structures and Algorithms · Computer Science 2023-12-22 Zongchen Chen , Dan Mikulincer , Daniel Reichman , Alexander S. Wein

Active learning (AL) combines data labeling and model training to minimize the labeling cost by prioritizing the selection of high value data that can best improve model performance. In pool-based active learning, accessible unlabeled data…

Machine Learning · Computer Science 2020-07-21 Mingfei Gao , Zizhao Zhang , Guo Yu , Sercan O. Arik , Larry S. Davis , Tomas Pfister

Molecular dynamics simulations are performed to examine the dynamic response of amorphous solids to oscillatory shear at finite temperatures. The data were collected from a poorly annealed binary glass, which was deformed periodically in…

Soft Condensed Matter · Physics 2017-11-21 Nikolai V. Priezjev

Parallel tempering Monte Carlo has proven to be an efficient method in optimization and sampling applications. Having an optimized temperature set enhances the efficiency of the algorithm through more-frequent replica visits to the…

Computational Physics · Physics 2019-11-11 Ignacio Rozada , Maliheh Aramon , Jonathan Machta , Helmut G. Katzgraber

Adaptive systems -- such as a biological organism gaining survival advantage, an autonomous robot executing a functional task, or a motor protein transporting intracellular nutrients -- must model the regularities and stochasticity in their…

Statistical Mechanics · Physics 2021-04-13 A. B. Boyd , J. P. Crutchfield , M. Gu

We study the regret of simulated annealing (SA) based approaches to solving discrete stochastic optimization problems. The main theoretical conclusion is that the regret of the simulated annealing algorithm, with either noisy or noiseless…

Optimization and Control · Mathematics 2021-03-29 Suhail M. Shah

Random constraint satisfaction problems can display a very rich structure in the space of solutions, with often an ergodicity breaking -- also known as clustering or dynamical -- transition preceding the satisfiability threshold when the…

Statistical Mechanics · Physics 2025-07-29 Angelo Giorgio Cavaliere , Federico Ricci-Tersenghi

In this paper we show how to efficiently achieve thermal cloaking from a computational standpoint in several virtual scenarios by controlling a distribution of active heat sources. We frame this problem in the setting of PDE-constrained…

Optimization and Control · Mathematics 2022-02-23 Carlo Sinigaglia , Davide Enrico Quadrelli , Andrea Manzoni , Francesco Braghin

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…

Materials Science · Physics 2021-04-14 Nataliya Lopanitsyna , Chiheb Ben Mahmoud , Michele Ceriotti

Recently authors have introduced the idea of training discrete weights neural networks using a mix between classical simulated annealing and a replica ansatz known from the statistical physics literature. Among other points, they claim…

Machine Learning · Computer Science 2021-03-17 Vincent Gripon , Matthias Löwe , Franck Vermet

The broad range of neural network training techniques that invoke optimization but rely on ad hoc modification for validity suggests that optimization-based training is misguided. Shortcomings of optimization-based training are brought to…

Machine Learning · Computer Science 2026-02-20 Irina Babayan , Hazhir Aliahmadi , Greg van Anders

Simulation models often have parameters as input and return outputs to understand the behavior of complex systems. Calibration is the process of estimating the values of the parameters in a simulation model in light of observed data from…

Methodology · Statistics 2024-11-15 Özge Sürer

Multilevel techniques are efficient approaches for solving the large linear systems that arise from discretized partial differential equations and other problems. While geometric multigrid requires detailed knowledge about the underlying…

Numerical Analysis · Mathematics 2023-01-23 Tareq. U. Zaman , Scott P. MacLachlan , Luke N. Olson , Matt West