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Crystallization processes at the mesoscopic scale, where faceted, dendritic growth, and multigrain formation can be observed, are of particular interest within materials science and metallurgy. These processes are highly nonlinear,…

Machine Learning · Computer Science 2024-05-28 Pol Timmer , Koen Minartz , Vlado Menkovski

An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring…

Strongly Correlated Electrons · Physics 2009-11-11 Sandro Sorella

In this paper, we propose a model reduction method for solving multiscale elliptic PDEs with random coefficients in the multiquery setting using an optimization approach. The optimization approach enables us to construct a set of localized…

Numerical Analysis · Mathematics 2018-07-09 Thomas Y. Hou , Dingjiong Ma , Zhiwen Zhang

This paper describes a new Monte Carlo method based on a novel stochastic potential switching algorithm. This algorithm enables the equilibrium properties of a system with potential $V$ to be computed using a Monte Carlo simulation for a…

Statistical Mechanics · Physics 2007-05-23 C. H. Mak

Shape optimization models with one or more shapes are considered in this chapter. Of particular interest for applications are problems in which where a so-called shape functional is constrained by a partial differential equation (PDE)…

Optimization and Control · Mathematics 2021-07-19 Caroline Geiersbach , Estefania Loayza-Romero , Kathrin Welker

Variance reduction techniques are of crucial importance for the efficiency of Monte Carlo simulations in finance applications. We propose the use of neural SDEs, with control variates parameterized by neural networks, in order to learn…

Numerical Analysis · Mathematics 2024-02-06 P. D. Hinds , M. V. Tretyakov

Research into somatic mutations in cancer cell DNA and their role in tumour growth and progression between successive stages is crucial for improving our understanding of cancer evolution. Mathematical and computer modelling can provide…

Populations and Evolution · Quantitative Biology 2024-02-26 Andrzej Polanski , Mateusz Kania , Jarosław Gil , Wojciech Łabaj , Ewa Lach , Agnieszka Szczęsna

We introduce an extension of the time-dependent variational Monte Carlo (tVMC) method that adaptively controls the expressivity of the variational quantum state during the simulation of the dynamics. This adaptive tVMC (atVMC) approach is…

Quantum Physics · Physics 2026-01-09 Raffaele Salioni , Rocco Martinazzo , Davide Emilio Galli , Christian Apostoli

We present a new unbiased algorithm that estimates the expected value of f(U) via Monte Carlo simulation, where U is a vector of d independent random variables, and f is a function of d variables. We assume that f does not depend equally on…

Computation · Statistics 2020-06-02 Nabil Kahale

The use of oncolytic viruses as cancer treatment has received considerable attention in recent years, however the spatial dynamics of this viral infection is still poorly understood. We present here a stochastic agent-based model describing…

Populations and Evolution · Quantitative Biology 2023-09-06 David Morselli , Marcello Edoardo Delitala , Federico Frascoli

The accurate numerical solution of partial differential equations is a central task in numerical analysis allowing to model a wide range of natural phenomena by employing specialized solvers depending on the scenario of application. Here,…

Numerical Analysis · Mathematics 2022-12-13 Moritz Reh , Martin Gärttner

We investigate a new dynamical system that describes tumor-host interaction. The equation that describes the untreated tumor growth is based on non-extensive statistical mechanics. Recently, this model has been shown to fit successfully…

High-dimensional count data poses significant challenges for statistical analysis, necessitating effective methods that also preserve explainability. We focus on a low rank constrained variant of the Poisson log-normal model, which relates…

Optimization and Control · Mathematics 2025-06-17 Bastien Batardière , Julien Chiquet , Joon Kwon , Julien Stoehr

The growth of many solid tumors has been found to be driven by chemo- and radiotherapy-resistant cancer stem cells (CSCs). A suitable therapeutic avenue in these cases may involve the use of a differentiating agent (DA) to force the…

Tissues and Organs · Quantitative Biology 2023-03-09 Jerónimo Fotinós , Lucas Barberis , Carlos A. Condat

The order of convergence of the Monte Carlo method is 1/2 which means that we need quadruple samples to decrease the error in half in the numerical simulation. Multilevel Monte Carlo methods reach the same order of error by spending less…

Numerical Analysis · Mathematics 2015-02-27 Myoungnyoun Kim , Imbo Sim

We consider solution of stochastic storage problems through regression Monte Carlo (RMC) methods. Taking a statistical learning perspective, we develop the dynamic emulation algorithm (DEA) that unifies the different existing approaches in…

Computational Finance · Quantitative Finance 2018-04-02 Michael Ludkovski , Aditya Maheshwari

Building upon recent developments of force-based estimators with a reduced variance for the computation of densities, radial distribution functions or local transport properties from molecular simulations, we show that the variance can be…

Chemical Physics · Physics 2021-05-18 Samuel W. Coles , Etienne Mangaud , Daan Frenkel , Benjamin Rotenberg

This paper proposes a new time-scaling approach for computational optimal control of a distributed parameter system governed by the Saint-Venant PDEs. We propose the time-scaling approach, which can change a uniform time partition to a…

Systems and Control · Computer Science 2015-11-02 Tehuan Chen , Chao Xu

We propose a hierarchy of multi-level kinetic Monte Carlo methods for sampling high-dimensional, stochastic lattice particle dynamics with complex interactions. The method is based on the efficient coupling of different spatial resolution…

Numerical Analysis · Mathematics 2012-08-06 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac

We demonstrate how direct simulation of stochastic, individual-based models can be combined with continuum numerical analysis techniques to study the dynamics of evolving diseases. % Sidestepping the necessity of obtaining explicit…

Adaptation and Self-Organizing Systems · Physics 2009-11-10 Jaime Cisternas , C. William Gear , Simon Levin , Ioannis G. Kevrekidis
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