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The heterogeneous multi-scale method (HMM) is a general strategy for dealing with problems involving multi-scales, with multi-physics, using multi-grids. It not only unifies several existing multi-scale methods, but also provide a…

Computational Physics · Physics 2007-05-23 Weinan E , Bjorn Engquist

Motivated by critical challenges and needs from biopharmaceuticals manufacturing, we propose a general metamodel-assisted stochastic simulation uncertainty analysis framework to accelerate the development of a simulation model with modular…

Methodology · Statistics 2022-09-07 Wei Xie , Russell R. Barton , Barry L. Nelson , Keqi Wang

Human motion is highly diverse and dynamic, posing challenges for imitation learning algorithms that aim to generalize motor skills for controlling simulated characters. Previous methods typically rely on a universal full-body controller…

Computer Vision and Pattern Recognition · Computer Science 2025-02-21 Yiming Huang , Zhiyang Dou , Lingjie Liu

To operate process engineering systems in a safe and reliable manner, predictive models are often used in decision making. In many cases, these are mechanistic first principles models which aim to accurately describe the process. In…

Machine Learning · Computer Science 2022-05-20 Timur Bikmukhametov , Johannes Jäschke

Dynamics of many-body Hamiltonian systems with long range interactions is studied, in the context of the so called $\alpha-$HMF model. Building on the analogy with the related mean field model, we construct stationary states of the…

Statistical Mechanics · Physics 2010-04-15 Tineke L. Van Den Berg , Duccio Fanelli , Xavier Leoncini

In recent years, machine learning has been adopted to complex networks, but most existing works concern about the structural properties. To use machine learning to detect phase transitions and accurately identify the critical transition…

Physics and Society · Physics 2020-01-08 Qi Ni , Ming Tang , Ying Liu , Ying-Cheng Lai

We consider nearest neighbor weighted random walks on the $d$-dimensional box $[n]^d$ that are governed by some function $g:[0,1] \ra [0,\iy)$, by which we mean that standing at $x$, a neighbor $y$ of $x$ is picked at random and the walk…

Probability · Mathematics 2021-01-26 Johan Jonasson , Måns Magnusson

The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

The simulation of stochastic reaction-diffusion systems using fine-grained representations can become computationally prohibitive when particle numbers become large. If particle numbers are sufficiently high then it may be possible to…

Quantitative Methods · Quantitative Biology 2020-10-02 Christian A. Yates , Adam George , Armand Jordana , Cameron A. Smith , Andrew B. Duncan , Konstantinos C. Zygalakis

This work presents a new multiphase SPH model that includes the shifting algorithm and a variable smoothing length formalism to simulate multi-phase flows with accuracy and proper interphase management. The implementation was performed in…

Hybrid modeling provides an effective solution to cope with multiple time scales dynamics in systems biology. Among the applications of this method, one of the most important is the cell cycle regulation. The machinery of the cell cycle,…

Computational Engineering, Finance, and Science · Computer Science 2013-09-05 Vincent Noël , Sergey Vakulenko , Ovidiu Radulescu

We introduce a variational method for simulating the dynamics of interacting open quantum spin systems. The method is based on the spin phase-space representation and variationally targets the Husimi-$Q$ function with an ansatz based on a…

Quantum Physics · Physics 2026-04-02 Jacopo Tosca , Zejian Li , Francesco Carnazza , Cristiano Ciuti

Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…

Knowledge of the mechanical properties of materials is required for the design and analysis of engineering products, however, the characterisation of heterogeneous properties using traditional techniques is limited by spatial resolution or…

Computational Engineering, Finance, and Science · Computer Science 2026-03-16 Robert Hamill , Allan Harte , Aleksander Marek , Fabrice Pierron

Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical fidelity through scale-bridging over brute-force increases in the number of mesh…

Simulation-based testing has emerged as an essential tool for verifying and validating autonomous vehicles (AVs). However, contemporary methodologies, such as deterministic and imitation learning-based driver models, struggle to capture the…

Robotics · Computer Science 2025-11-04 Cheng Wang , Lingxin Kong , Massimiliano Tamborski , Stefano V. Albrecht

We propose a general procedure for estimating the variance-covariance matrix of two-step estimates of structural parameters in latent variable models. The method is partially simulation-based, in that it includes drawing simulated values of…

Methodology · Statistics 2025-07-23 Roberto Di Mari , Jouni Kuha

Imitation learning method has shown immense promise for robotic manipulation, yet its practical deployment is fundamentally constrained by the data scarcity. Despite prior work on collecting large-scale datasets, there still remains a…

The dynamic Sequential Mobile Manipulation Planning (SMMP) framework is essential for the safe and robust operation of mobile manipulators in dynamic environments. Previous research has primarily focused on either motion-level or task-level…

Robotics · Computer Science 2024-06-24 Zhitian Li , Yida Niu , Yao Su , Hangxin Liu , Ziyuan Jiao

Stochastic simulation models are generative models that mimic complex systems to help with decision-making. The reliability of these models heavily depends on well-calibrated input model parameters. However, in many practical scenarios,…

Methodology · Statistics 2024-11-11 Ziwei Su , Diego Klabjan