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Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Chemical Physics · Physics 2022-05-09 Dmitry A. Fedorov , Yuri Alexeev , Stephen K. Gray , Matthew Otten

With the advent of generalized unitarity and parametric integration techniques, the construction of a generic Next-to-Leading Order Monte Carlo becomes feasible. Such a generator will entail the treatment of QCD color in the amplitudes. We…

High Energy Physics - Phenomenology · Physics 2014-11-20 Walter Giele , Zoltan Kunszt , Jan Winter

We demonstrate the feasibility of performing sufficient configurational sampling of disordered oxides directly from first principles without resorting to the use of fitted models such as cluster expansion. This is achieved by harnessing the…

Materials Science · Physics 2019-01-30 Shusuke Kasamatsu , Osamu Sugino

We have calculated the values of critical packing fractions for the mixtures of symmetric non-additive hard disks. An interesting feature of the model is the fact that the internal energy is zero and the phase transitions are entropically…

Statistical Mechanics · Physics 2016-03-15 W. T. Góźdź , A. Ciach

The Anderson transitions in a random magnetic field in three dimensions are investigated numerically. The critical behavior near the transition point is analyzed in detail by means of the transfer matrix method with high accuracy for…

Disordered Systems and Neural Networks · Physics 2017-09-27 T. Kawarabayashi , B. Kramer , T. Ohtsuki

The paper introduces the concept of a cluster structure to define a joint distribution of the sample size and its exchangeable random partitions. The cluster structure allows the probability distribution of the random partitions of a subset…

Methodology · Statistics 2013-10-08 Mingyuan Zhou

Clustering is one of the most common unsupervised learning tasks in machine learning and data mining. Clustering algorithms have been used in a plethora of applications across several scientific fields. However, there has been limited…

Machine Learning · Computer Science 2017-02-09 Quang N. Tran , Ba-Ngu Vo , Dinh Phung , Ba-Tuong Vo

Thermodynamics of clusterized matter is studied in the framework of statistical models with non-interacting cluster degrees of freedom. At variance with the analytical Fisher model, exact Metropolis simulation results indicate that the…

Nuclear Theory · Physics 2009-09-01 Ad. R. Raduta , F. Gulminelli

A new Monte Carlo algorithm for 2-dimensional spin glasses is presented. The use of clusters makes possible global updates and leads to a gain in speed of several orders of magnitude. As an example, we study the 2-dimensional +/-J…

Disordered Systems and Neural Networks · Physics 2009-11-07 J. Houdayer

The bulk polarization is a $\mathbb{Z}_2$ topological invariant characterizing non-interacting systems in one dimension with chiral or particle-hole symmetries. We show that the bulk polarization can always be determined from the…

Mesoscale and Nanoscale Physics · Physics 2021-05-26 Carlos Ortega-Taberner , Maria Hermanns

We present a new model-based integrative method for clustering objects given both vectorial data, which describes the feature of each object, and network data, which indicates the similarity of connected objects. The proposed general model…

Machine Learning · Statistics 2017-10-25 Yunchuan Kong , Xiaodan Fan

A new approximation of the cluster variational method is introduced for the three-dimensional Ising model on the simple cubic lattice. The maximal cluster is, as far as we know, the largest ever used in this method. A message-passing…

Statistical Mechanics · Physics 2014-01-22 Alessandro Pelizzola

This paper considers clustered multi-task compressive sensing, a hierarchical model that solves multiple compressive sensing tasks by finding clusters of tasks that leverage shared information to mutually improve signal reconstruction. The…

Signal Processing · Electrical Eng. & Systems 2023-10-03 Alexander Lin , Demba Ba

We present a novel Exchange Monte Carlo (EMC) method designed for application in continuous-space Path Integral Monte Carlo (PIMC) simulations at finite temperature. Traditional PIMC methods for bosonic systems suffer from long…

Statistical Mechanics · Physics 2026-05-26 Xun Zhao , Synge Todo

The Monte Carlo (MC) estimates of thermal averages are usually functions of system control parameters $\lambda $, such as temperature, volume, interaction couplings, etc. Given the MC average at a set of prescribed control parameters…

Chemical Physics · Physics 2012-06-11 Sharif D. Kunikeev , Kwang S. Kim

The Box-Muller transform is a widely used method to generate Gaussian samples from uniform samples. Quantum amplitude encoding methods encode the multi-variate normal distribution in the amplitudes of a quantum state. This work presents the…

Quantum Physics · Physics 2026-01-21 Dinh-Long Vu , Hitomi Mori , Patrick Rebentrost

We numerically study the phase diagram and critical properties of the two-dimensional disordered O(n) loop model by using the transfer matrix and the worm Monte Carlo methods. The renormalization group flow is extracted from the landscape…

Disordered Systems and Neural Networks · Physics 2014-04-07 Hirohiko Shimada , Jesper Lykke Jacobsen , Yoshitomo Kamiya

This survey reviews a clustering method based on solving a convex optimization problem. Despite the plethora of existing clustering methods, convex clustering has several uncommon features that distinguish it from prior art. The…

Methodology · Statistics 2025-09-19 Eric C. Chi , Aaron J. Molstad , Zheming Gao , Jocelyn T. Chi

We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…

Statistical Mechanics · Physics 2026-01-30 Nic Ezzell , Lev Barash , Itay Hen

We propose Continual Repeated Annealed Flow Transport Monte Carlo (CRAFT), a method that combines a sequential Monte Carlo (SMC) sampler (itself a generalization of Annealed Importance Sampling) with variational inference using normalizing…

Machine Learning · Statistics 2023-04-07 Alexander G. D. G. Matthews , Michael Arbel , Danilo J. Rezende , Arnaud Doucet