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In this paper, we develop a class of interacting particle Langevin algorithms to solve inverse problems for partial differential equations (PDEs). In particular, we leverage the statistical finite elements (statFEM) formulation to obtain a…

We introduce a novel computational framework for the multiscale simulation of higher-order continua that allows for the consideration of first-, second- and third- order effects at both micro- and macro-level. In line with classical…

Computational Engineering, Finance, and Science · Computer Science 2022-03-08 Felix Schmidt , Melanie Krüger , Marc-Andre Keip , Christian Hesch

This study investigates the asymptotic dynamics of solutions to the Fokker-Planck-Kolmogorov (FPK) equation, with a specific focus on ship roll stability in dynamic sea conditions. Utilizing a fourth-order filter, we conduct a thorough…

Mathematical Physics · Physics 2025-10-03 Abdelkader Tizaoui

The behaviour of a high dimensional stochastic system described by a Chemical Master Equation (CME) depends on many parameters, rendering explicit simulation an inefficient method for exploring the properties of such models. Capturing their…

Quantitative Methods · Quantitative Biology 2016-11-17 An Nguyen , Adam Prugel-Bennett , Srinandan Dasmahapatra

The dominant paradigm in computational materials discovery relies on heavily parameterized deep architectures, including message-passing graph networks and equivariant models, that require millions of DFT-labeled training structures and…

Materials Science · Physics 2026-05-19 Pranoy Ray , Surya R. Kalidindi

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

We derive and analyze a broad class of finite element methods for numerically simulating the stationary, low Reynolds number flow of concentrated mixtures of several distinct chemical species in a common thermodynamic phase. The underlying…

Numerical Analysis · Mathematics 2025-09-24 Aaron Baier-Reinio , Patrick E. Farrell

The path integral molecular dynamics (PIMD) method provides a convenient way to compute the quantum mechanical structural and thermodynamic properties of condensed phase systems at the expense of introducing an additional set of…

Statistical Mechanics · Physics 2010-09-29 Michele Ceriotti , Michele Parrinello , Thomas E. Markland , David E. Manolopoulos

The time evolution of the probability distribution of a stochastic differential equation follows the Fokker-Planck equation, which usually has an unbounded, high-dimensional domain. Inspired by our early study in \cite{li2018data}, we…

Numerical Analysis · Mathematics 2020-12-22 Jiayu Zhai , Matthew Dobson , Yao Li

This work presents a probabilistic scheme for solving semilinear nonlocal diffusion equations with volume constraints and integrable kernels. The nonlocal model of interest is defined by a time-dependent semilinear partial…

Numerical Analysis · Mathematics 2022-05-03 Minglei Yang , Guannan Zhang , Diego Del-Castillo-Negrete , Yanzhao Cao

We present a new path integral method to analyze stochastically perturbed ordinary differential equations with multiple time scales. The objective of this method is to derive from the original system a new stochastic differential equation…

Pattern Formation and Solitons · Physics 2007-08-20 Tobias Schaefer Richard O. Moore

In this study, we generalize the Fokker-Planck equation to two-dimensional cases, including potential functions with periodic boundary conditions and piecewise-defined structures, to analyze the probability distribution in multi-field…

General Relativity and Quantum Cosmology · Physics 2024-04-17 Deog Ki Hong , Jie Jiang , Dong-han Yeom

The numerical analysis of stochastic time fractional evolution equations presents considerable challenges due to the limited regularity of the model caused by the nonlocal operator and the presence of noise. The existing time-stepping…

Numerical Analysis · Mathematics 2024-01-22 Minghua Chen , Jiankang Shi , Zhen Song , Yubin Yan , Zhi Zhou

Score-based generative models (SGMs) learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are linked together by the…

Machine Learning · Computer Science 2023-06-16 Chieh-Hsin Lai , Yuhta Takida , Naoki Murata , Toshimitsu Uesaka , Yuki Mitsufuji , Stefano Ermon

Uncertainty quantification (UQ) plays a critical role in verifying and validating forward integrated computational materials engineering (ICME) models. Among numerous ICME models, the crystal plasticity finite element method (CPFEM) is a…

Materials Science · Physics 2023-01-27 Anh Tran , Pieterjan Robbe , Tim Wildey , David Montes de Oca Zapiain , Hojun Lim

A stochastic hierarchical model for the evolution of low grade gliomas is proposed. Starting with the description of cell motion using piecewise diffusion Markov processes (PDifMPs) at the cellular level, we derive an equation for the…

Tissues and Organs · Quantitative Biology 2022-06-23 Evelyn Buckwar , Martina Conte , Amira Meddah

We introduce a new class of integrators for stiff ODEs as well as SDEs. These integrators are (i) {\it Multiscale}: they are based on flow averaging and so do not fully resolve the fast variables and have a computational cost determined by…

Numerical Analysis · Mathematics 2010-11-11 Molei Tao , Houman Owhadi , Jerrold E. Marsden

Applications in quantitative finance such as optimal trade execution, risk management of options, and optimal asset allocation involve the solution of high dimensional and nonlinear Partial Differential Equations (PDEs). The connection…

Machine Learning · Statistics 2019-10-28 Batuhan Güler , Alexis Laignelet , Panos Parpas

We propose to optimize neural networks with a uniformly-distributed random learning rate. The associated stochastic gradient descent algorithm can be approximated by continuous stochastic equations and analyzed within the Fokker-Planck…

Machine Learning · Computer Science 2020-10-13 Daniele Musso

Stochastic acceleration of charged particles due to their interactions with plasma waves may be responsible for producing superthermal particles in a variety of astrophysical systems. This process can be described as a diffusion process in…

High Energy Astrophysical Phenomena · Physics 2012-04-05 Zhonghui Fan , Siming Liu