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Background: The development, optimization and validation of protein modeling methods require efficient tools for structural comparison. Frequently, a large number of models need to be compared with the target native structure. The main…

Biomolecules · Quantitative Biology 2013-03-04 Jamróz Michał , Koliński Andrzej

We simulated the fourier transform of the correlation function of the Ising model in two and three dimensions using a single cluster algorithm with improved estimators. The simulations are in agreement with series expansion and the…

High Energy Physics - Lattice · Physics 2009-10-22 C. Ruge , P. Zhu , F. Wagner

Using D-theory we construct a new efficient cluster algorithm for the Ising model. The construction is very different from the standard Swendsen-Wang algorithm and related to worm algorithms. With the new algorithm we have measured the…

High Energy Physics - Lattice · Physics 2016-09-01 Matthias Nyfeler , Michele Pepe , Uwe-Jens Wiese

Standard Monte Carlo cluster algorithms have proven to be very effective for many different spin models, however they fail for frustrated spin systems. Recently a generalized cluster algorithm was introduced that works extremely well for…

Condensed Matter · Physics 2009-10-22 P. D. Coddington , L. Han

The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of…

Computational Physics · Physics 2015-06-16 Amol R. Holkundkar

This study introduces a predictive maintenance strategy for high pressure industrial compressors using sensor data and features derived from unsupervised clustering integrated into classification models. The goal is to enhance model…

Machine Learning · Computer Science 2024-11-22 Alessandro Costa , Emilio Mastriani , Federico Incardona , Kevin Munari , Sebastiano Spinello

Phase-field simulations are a practical but also expensive tool to calculate microstructural evolution. This work aims to compare explicit time integrators for a broad class of phase-field models involving coupling between the phase-field…

Numerical Analysis · Mathematics 2026-03-02 Marco Seiz , Tomohiro Takaki

The idle time of personal computers has increased steadily due to the generalization of computer usage and cloud computing. Clustering research aims at utilizing idle computer resources for processing a variable workload on a large number…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-25 Geunsik Lim , Minho Lee , R. J. W. E. Lahaye , Young Ik Eom

Machine learning has been successfully used to study phase transitions. One of the most popular approaches to identifying critical points from data without prior knowledge of the underlying phases is the learning-by-confusion scheme. As…

Machine Learning · Computer Science 2023-11-16 Julian Arnold , Frank Schäfer , Niels Lörch

The emergence of specialized optimization hardware such as CMOS annealers and adiabatic quantum computers carries the promise of solving hard combinatorial optimization problems more efficiently in hardware. Recent work has focused on…

Machine Learning · Computer Science 2020-03-05 Eldan Cohen , Avradip Mandal , Hayato Ushijima-Mwesigwa , Arnab Roy

Mixture models extend the toolbox of clustering methods available to the data analyst. They allow for an explicit definition of the cluster shapes and structure within a probabilistic framework and exploit estimation and inference…

Methodology · Statistics 2025-09-15 Bettina Grün

We present an exact simulation of a one-dimensional transverse Ising spin chain with a quantum computer. We construct an efficient quantum circuit that diagonalizes the Ising Hamiltonian and allows to obtain all eigenstates of the model by…

Quantum Physics · Physics 2018-12-24 Alba Cervera-Lierta

A quantum simulator is a restricted class of quantum computer that controls the interactions between quantum bits in a way that can be mapped to certain difficult quantum many-body problems. As more control is exerted over larger numbers of…

Quantum Physics · Physics 2018-02-07 J. Zhang , G. Pagano , P. W. Hess , A. Kyprianidis , P. Becker , H. Kaplan , A. V. Gorshkov , Z. -X. Gong , C. Monroe

We present the results of Monte Carlo simulations for the critical dynamics of the three-dimensional site-diluted quenched Ising model. Three different dynamics are considered, these correspond to the local update Metropolis scheme as well…

Disordered Systems and Neural Networks · Physics 2008-11-26 D. Ivaneyko , J. Ilnytskyi , B. Berche , Yu. Holovatch

The recent solution to the fermion sign problem allows, for the first time, the use of cluster algorithm techniques to compute certain fermionic path integrals. To illustrate the underlying ideas behind the progress, a cluster algorithm is…

High Energy Physics - Lattice · Physics 2007-05-23 Shailesh Chandrasekharan

Time evolution and scattering simulation in phenomenological models are of great interest for testing and validating the potential for near-term quantum computers to simulate quantum field theories. Here, we simulate one-particle…

Quantum Physics · Physics 2021-05-26 Kübra Yeter-Aydeniz , George Siopsis , Raphael C. Pooser

We develop a classification method for incoming pieces of evidence in Dempster-Shafer theory. This methodology is based on previous work with clustering and specification of originally nonspecific evidence. This methodology is here put in…

Artificial Intelligence · Computer Science 2007-05-23 Johan Schubert

In this thesis, we propose several modelling strategies to tackle evolving data in different contexts. In the framework of static clustering, we start by introducing a soft kernel spectral clustering (SKSC) algorithm, which can better deal…

Social and Information Networks · Computer Science 2014-11-24 Rocco Langone

Explaining the results of clustering pipelines by unraveling the characteristics of each cluster is a challenging task, often addressed manually through visualizations and queries. Existing solutions from the domain of Explainable…

Databases · Computer Science 2024-12-31 Sariel Ofek , Amit Somech

Fleets of networked manufacturing machines of the same type, that are collocated or geographically distributed, are growing in popularity. An excellent example is the rise of 3D printing farms, which consist of multiple networked 3D…

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