相关论文: Machine Learning Force-Field Approach for Itineran…

Magnetic materials play a key role in the contemporary industry, providing unique features with a wide application potential. To study physical phenomena and design new materials, it is important to possess an appropriate tool, a model…

Electromagnetic (EM) imaging is widely applied in sensing for security, biomedicine, geophysics, and various industries. It is an ill-posed inverse problem whose solution is usually computationally expensive. Machine learning (ML)…

We propose and implement a third-order accurate numerical scheme for the Landau-Lifshitz-Gilbert equation, which describes magnetization dynamics in ferromagnetic materials under large damping parameters. This method offers two key…

By one of the most fundamental principles in physics, a dynamical system will exhibit those motions which extremise an action functional. This leads to the formation of the Euler-Lagrange equations, which serve as a model of how the system…

Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a…

Existing imitation learning (IL) methods such as inverse reinforcement learning (IRL) usually have a double-loop training process, alternating between learning a reward function and a policy and tend to suffer long training time and high…

We propose a new approach to inverse reinforcement learning (IRL) based on the deep Gaussian process (deep GP) model, which is capable of learning complicated reward structures with few demonstrations. Our model stacks multiple latent GP…

This paper introduces a novel approach for modeling the dynamics of soft robots, utilizing a differentiable filter architecture. The proposed approach enables end-to-end training to learn system dynamics, noise characteristics, and temporal…

Inertial microfluidic devices (IMDs) offer low-cost, high-throughput alternative techniques for many traditional particle- (or cell-) manipulation tasks, but simulating them requires being able to predict particle migration, and thus…

The development of next-generation molecular simulation models requires moving beyond pre-defined functional forms toward machine learning (ML) techniques that directly capture multiscale physics. Here, we demonstrate such an approach using…

The Lattice Boltzmann method (LBM) offers a powerful and versatile approach to simulating diverse hydrodynamic phenomena, spanning microfluidics to aerodynamics. The vast range of spatiotemporal scales inherent in these systems currently…

The Landau-Lifshitz-Gilbert equation yields a mathematical model to describe the evolution of the magnetization of a magnetic material, particularly in response to an external applied magnetic field. It allows one to take into account…

Understanding the origin of damping mechanisms in magnetization dynamics of metallic ferromagnets is a fundamental problem for nonequilibrium many-body physics of systems where quantum conduction electrons interact with localized spins…

Detailed analysis of the magnetic properties of the Hubbard model within dynamical mean-field theory (DMFT) is presented. Using a RPA-like decoupling of two-particle propagators we derive a universal form for susceptibilities, which…

Machine learned interaction potentials (MLIPs) have become a critical component of large-scale, high-quality simulations for a range of chemical and biochemical systems. Yet, despite their in-distribution accuracy, molecular dynamics…

Magnetic structures and their stability of the multiple helical spin density waves (MHSDW) and related magnetic skyrmions in itinerant electron system have been investigated on the basis of both the phenomenological and microscopic…

Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured…

Molecular-orbital-based machine learning (MOB-ML) enables the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. Here, we present the derivation, implementation, and numerical demonstration of MOB-ML…

Modelling the behaviour of highly nonlinear dynamical systems with robust uncertainty quantification is a challenging task which typically requires approaches specifically designed to address the problem at hand. We introduce a…

Machine-learning techniques have proved successful in identifying ordered phases of matter. However, it remains an open question how far they can contribute to the understanding of phases without broken symmetry, such as spin liquids. Here…