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The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field,…

Materials Science · Physics 2024-09-02 Fu-Zhi Dai , Si-Hao Yuan , Yan-Bo Hao , Xin-Fu Gu , Shipeng Zhu , Jidong Hu , Yifen Xu

The open set recognition (OSR) problem aims to identify test samples from novel semantic classes that are not part of the training classes, a task that is crucial in many practical scenarios. However, the existing OSR methods use a constant…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Amit Kumar Kundu , Vaishnavi S Patil , Joseph Jaja

Incorporating the concept of order parameter of the mean-field theory into the simulated annealing method, we presented a new optimization algorithm, the guided simulated annealing method. In this method mean-field order parameters are…

Statistical Mechanics · Physics 2009-11-10 C. I. Chou , R. S. Han , S. P. Li , T. K. Lee

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

Modeling how a robot interacts with the environment around it is an important prerequisite for designing control and planning algorithms. In fact, the performance of controllers and planners is highly dependent on the quality of the model.…

Machine Learning · Computer Science 2020-03-03 Clark Zhang , Arbaaz Khan , Santiago Paternain , Alejandro Ribeiro

We study an online multi-task learning setting, in which instances of related tasks arrive sequentially, and are handled by task-specific online learners. We consider an algorithmic framework to model the relationship of these tasks via a…

Machine Learning · Computer Science 2017-02-10 Christoph Hirnschall , Adish Singla , Sebastian Tschiatschek , Andreas Krause

Neural scaling laws, which in some domains can predict the performance of large neural networks as a function of model, data, and compute scale, are the cornerstone of building foundation models in Natural Language Processing and Computer…

Machine Learning · Computer Science 2026-03-27 Shashank Subramanian , Alexander Kiefer , Arnur Nigmetov , Amir Gholami , Dmitriy Morozov , Michael W. Mahoney

Recently a new algorithm for sampling posteriors of unnormalised probability densities, called ABC Shadow, was proposed in [8]. This talk introduces a global optimisation procedure based on the ABC Shadow simulation dynamics. First the…

Computation · Statistics 2018-03-20 R. S. Stoica , M. Deaconu , L. Hurtado

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

We describe the results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obtained from molecular dynamics [1] as a function of primary…

Active learning (AL) is a powerful sequential optimization approach that has shown great promise in the discovery of new materials. However, a major challenge remains the acquisition of the initial data and the development of workflows to…

Materials Science · Physics 2024-11-22 Mohnish Harwani , Juan C. Verduzco , Brian H. Lee , Alejandro Strachan

Tensor networks have proven to be a valuable tool, for instance, in the classical simulation of (strongly correlated) quantum systems. As the size of the systems increases, contracting larger tensor networks becomes computationally…

Quantum Physics · Physics 2025-07-29 Manuel Geiger , Qunsheng Huang , Christian B. Mendl

Data driven models of dynamical systems help planners and controllers to provide more precise and accurate motions. Most model learning algorithms will try to minimize a loss function between the observed data and the model's predictions.…

Artificial Intelligence · Computer Science 2021-02-12 Clark Zhang , Santiago Paternain , Alejandro Ribeiro

We consider active learning for binary classification in the agnostic pool-based setting. The vast majority of works in active learning in the agnostic setting are inspired by the CAL algorithm where each query is uniformly sampled from the…

Machine Learning · Computer Science 2021-05-17 Julian Katz-Samuels , Jifan Zhang , Lalit Jain , Kevin Jamieson

Simulated Annealing (SA) is a widely used stochastic optimization algorithm, yet much of its theoretical understanding is limited to asymptotic convergence guarantees or general spectral bounds. In this paper, we develop a finite-time…

Systems and Control · Electrical Eng. & Systems 2026-02-11 Hansini Ramachandran , Bhaskar Krishnamachari

We have performed a detailed study of thermal annealing of the moment configuration in artificial spin ice. Permalloy (Ni$_{80}$Fe$_{20}$) artificial spin ice samples were examined in the prototypical square ice geometry, studying annealing…

Quantum Annealing, or Quantum Stochastic Optimization, is a classical randomized algorithm which provides good heuristics for the solution of hard optimization problems. The algorithm, suggested by the behaviour of quantum systems, is an…

Quantum Physics · Physics 2011-07-06 Diego de Falco , Dario Tamascelli

A continual learning (CL) algorithm learns from a non-stationary data stream. The non-stationarity is modeled by some schedule that determines how data is presented over time. Most current methods make strong assumptions on the schedule and…

Machine Learning · Computer Science 2022-10-17 Ruohan Wang , Marco Ciccone , Giulia Luise , Andrew Yapp , Massimiliano Pontil , Carlo Ciliberto

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

We show how to adjust the parameters of a thermodynamic computer by gradient descent in order to perform a desired computation at a specified observation time. Within a digital simulation of a thermodynamic computer, training proceeds by…

Statistical Mechanics · Physics 2025-09-22 Stephen Whitelam
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