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In this review we discuss, from a unified point of view, a variety of Monte Carlo methods used to solve eigenvalue problems in statistical mechanics and quantum mechanics. Although the applications of these methods differ widely, the…

Condensed Matter · Physics 2011-05-21 M. P. Nightingale , C. J. Umrigar

The paper addresses a new class of combinatorial problems which consist in restructuring of solutions (as structures) in combinatorial optimization. Two main features of the restructuring process are examined: (i) a cost of the…

Data Structures and Algorithms · Computer Science 2011-02-10 Mark Sh. Levin

In parameter estimation problems one computes a posterior distribution over uncertain parameters defined jointly by a prior distribution, a model, and noisy data. Markov Chain Monte Carlo (MCMC) is often used for the numerical solution of…

Numerical Analysis · Mathematics 2017-11-15 Matthias Morzfeld , Marcus S. Day , Ray W. Grout , George Shu Heng Pau , Stefan A. Finsterle , John B. Bell

A new acceleration algorithm to address the problem of multiple time scales in variational Monte Carlo simulations is presented. After a first attempted move has been rejected, the delayed rejection algorithm attempts a second move with a…

Other Condensed Matter · Physics 2009-11-10 Dario Bressanini , Gabriele Morosi , Silvia Tarasco , Antonietta Mira

The Traveling Salesman Problem is one of the most intensively studied combinatorial optimization problems due both to its range of real-world applications and its computational complexity. When combined with the Set Covering Problem, it…

Machine Learning · Computer Science 2020-07-08 Yuwen Yang , Jayant Rajgopal

High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They…

Strongly Correlated Electrons · Physics 2020-08-27 Marjan Maček , Philipp T. Dumitrescu , Corentin Bertrand , Bill Triggs , Olivier Parcollet , Xavier Waintal

We formulate a recursive estimation problem for multiple dynamical systems coupled through a low dimensional stochastic input, and we propose an efficient sub-optimal solution. The suggested approach is an approximation of the Kalman filter…

Optimization and Control · Mathematics 2019-11-26 Leonid Pogorelyuk , Clarence W. Rowley , N. Jeremy Kasdin

Markov Chain Monte Carlo algorithms, the method of choice to sample from generic high-dimensional distributions, are rarely used for continuous one-dimensional distributions, for which more effective approaches are usually available (e.g.…

Computation · Statistics 2024-12-10 Ari Pakman

A two-dimensional lattice hard-core boson system with a small fraction of bosonic or fermionic impurity particles is studied. The impurities have the same hopping and interactions as the dominant bosons and their effects are solely due to…

Other Condensed Matter · Physics 2009-11-13 Anders. W. Sandvik

Koopman operator theory has found significant success in learning models of complex, real-world dynamical systems, enabling prediction and control. The greater interpretability and lower computational costs of these models, compared to…

Dynamical Systems · Mathematics 2025-01-08 William T. Redman , Dean Huang , Maria Fonoberova , Igor Mezić

The Monte Carlo algorithm is increasingly utilized, with its central step involving computer-based random sampling from stochastic models. While both Markov Chain Monte Carlo (MCMC) and Reject Monte Carlo serve as sampling methods, the…

Computation · Statistics 2024-02-28 Fengyu Li , Huijiao Yu , Jun Yan , Xianyong Meng

Neural Combinatorial Optimization aims to learn to solve a class of combinatorial problems through data-driven methods and notably through employing neural networks by learning the underlying distribution of problem instances. While, so far…

Machine Learning · Computer Science 2025-08-05 Daniela Thyssens , Tim Dernedde , Wilson Sentanoe , Lars Schmidt-Thieme

Understanding the relationships between objectives in a multiobjective optimisation problem is important for developing tailored and efficient solving techniques. In particular, when tackling combinatorial optimisation problems with many…

Neural and Evolutionary Computing · Computer Science 2025-10-02 Rodrigo Lankaites Pinheiro , Dario Landa-Silva , Jason Atkin

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 propose and analyze a method for computing failure probabilities of systems modeled as numerical deterministic models (e.g., PDEs) with uncertain input data. A failure occurs when a functional of the solution to the model is below (or…

Numerical Analysis · Mathematics 2016-06-21 Daniel Elfverson , Fredrik Hellman , Axel Målqvist

In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum many-body problems. Under the proposed framework, we…

Numerical Analysis · Mathematics 2018-06-29 Jianfeng Lu , Zhe Wang

This paper sets up a methodology for approximately solving optimal investment problems using duality methods combined with Monte Carlo simulations. In particular, we show how to tackle high dimensional problems in incomplete markets, where…

Computational Finance · Quantitative Finance 2013-05-16 L C G Rogers , Pawel Zaczkowski

Uncertainty estimation in deep models is essential in many real-world applications and has benefited from developments over the last several years. Recent evidence suggests that existing solutions dependent on simple Gaussian formulations…

Machine Learning · Computer Science 2022-05-11 Jurijs Nazarovs , Ronak R. Mehta , Vishnu Suresh Lokhande , Vikas Singh

When solving large-scale multiobjective optimization problems, solvers can get stuck with the memory or time limit. In such cases, one is left with no information how far is the best feasible solution, found before the optimization process…

Optimization and Control · Mathematics 2017-11-13 Ignacy Kaliszewski

We present several applications of the bias-variance decomposition, beginning with straightforward Monte Carlo estimation of integrals, but progressing to the more complex problem of Monte Carlo Optimization (MCO), which involves finding a…

Applications · Statistics 2008-10-07 Dev Rajnarayan , David Wolpert