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Machine learned interatomic potentials (MLIPs) have emerged as powerful tools for molecular dynamics (MD) simulations with their competitive accuracy and computational efficiency. However, MLIPs are often observed to exhibit un-physical…

材料科学 · 物理学 2026-02-24 Qianyu Zheng , Victor Fung

Physics-informed neural networks (PINNs) offer a novel AI-driven framework for integrating physical laws directly into neural network models, facilitating the solution of complex multiphysics problems in materials engineering. This study…

材料科学 · 物理学 2025-10-14 Mohid Farooqi , Ingmar Bösing , Conrard G. Tetsassi Feugmo

The accurate estimation of the state of complex uncertain physical systems requires reconciling theoretical models, with inherent imperfections, with noisy experimental data. In this work, we propose an effective hybrid approach that…

机器学习 · 计算机科学 2025-12-16 Stiven Briand Massala , Ludovic Chamoin , Massimo Picca Ciamarra

We present the application of a class of deep learning, known as Physics Informed Neural Networks (PINN), to learning and discovery in solid mechanics. We explain how to incorporate the momentum balance and constitutive relations into PINN,…

机器学习 · 计算机科学 2020-05-12 Ehsan Haghighat , Maziar Raissi , Adrian Moure , Hector Gomez , Ruben Juanes

Spatio-temporal forecasting is of great importance in a wide range of dynamical systems applications from atmospheric science, to recent COVID-19 spread modeling. These applications rely on accurate predictions of spatio-temporal structured…

机器学习 · 计算机科学 2021-08-13 Yu Huang , Yufei Tang , Xingquan Zhu , Min Shi , Ali Muhamed Ali , Hanqi Zhuang , Laurent Cherubin

Physics-Informed Neural Networks (PINNs) solve partial differential equations using deep learning. However, conventional PINNs perform pointwise predictions that neglect dependencies within a domain, which may result in suboptimal…

This article presents an innovative approach to integrating port-Hamiltonian systems with neural network architectures, transitioning from deterministic to stochastic models. The study presents novel mathematical formulations and…

动力系统 · 数学 2024-03-26 Luca Di Persio , Matthias Ehrhardt , Sofia Rizzotto

Accurate vessel trajectory prediction is crucial for navigational safety, route optimization, traffic management, search and rescue operations, and autonomous navigation. Traditional data-driven models lack real-world physical constraints,…

机器学习 · 计算机科学 2025-06-17 Md Mahbub Alam , Amilcar Soares , José F. Rodrigues-Jr , Gabriel Spadon

Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…

计算物理 · 物理学 2022-06-23 Aleksandra Pachalieva , Daniel O'Malley , Dylan Robert Harp , Hari Viswanathan

Physics-Informed Machine Learning (PIML) has successfully integrated mechanistic understanding into machine learning, particularly in domains governed by well-known physical laws. This success has motivated efforts to apply PIML to biology,…

机器学习 · 计算机科学 2025-10-30 Julien Martinelli

Varying power-infeed from converter-based generation units introduces great uncertainty on system parameters such as inertia and damping. As a consequence, system operators face increasing challenges in performing dynamic security…

系统与控制 · 电气工程与系统科学 2021-04-16 Jochen Stiasny , George S. Misyris , Spyros Chatzivasileiadis

Accurate prediction of shaft rotational speed, shaft power, and fuel consumption is crucial for enhancing operational efficiency and sustainability in maritime transportation. Conventional physics-based models provide interpretability but…

机器学习 · 计算机科学 2026-02-26 Hamza Haruna Mohammed , Dusica Marijan , Arnbjørn Maressa

In this paper, we propose novel learning frameworks to tackle optimal control problems by applying the Pontryagin maximum principle and then solving for a Hamiltonian dynamical system. Applying the Pontryagin maximum principle to the…

最优化与控制 · 数学 2024-08-13 Chandrajit Bajaj , Minh Nguyen

For real-life nonlinear systems, the exact form of nonlinearity is often not known and the known governing equations are often based on certain assumptions and approximations. Such representation introduced model-form error into the system.…

机器学习 · 统计学 2022-04-20 Shailesh Garg , Souvik Chakraborty , Budhaditya Hazra

Predictive Physics has been historically based upon the development of mathematical models that describe the evolution of a system under certain external stimuli and constraints. The structure of such mathematical models relies on a set of…

机器学习 · 计算机科学 2020-11-24 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose A. Sanz-Herrera , Manuel Doblaré

Accurate prediction of future agent trajectories is a critical challenge for ensuring safe and efficient autonomous navigation, particularly in complex urban environments characterized by multiple plausible future scenarios. In this paper,…

机器人学 · 计算机科学 2025-07-29 Haichuan Li , Tomi Westerlund

We apply reinforcement learning (RL) to robotics tasks. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL…

机器学习 · 计算机科学 2023-05-16 Adithya Ramesh , Balaraman Ravindran

Physics-informed neural networks (PINNs) is an emerging category of neural networks which can be trained to solve supervised learning tasks while taking into consideration given laws of physics described by general nonlinear partial…

密码学与安全 · 计算机科学 2026-04-07 Solon Falas , Charalambos Konstantinou , Maria K. Michael

In chemical engineering, process data are expensive to acquire, and complex phenomena are difficult to fully model. We explore the use of physics-informed neural networks (PINNs) for modeling dynamic processes with incomplete mechanistic…

机器学习 · 计算机科学 2024-10-01 Mehmet Velioglu , Song Zhai , Sophia Rupprecht , Alexander Mitsos , Andreas Jupke , Manuel Dahmen

Model-based reinforcement learning (MBRL) is believed to have much higher sample efficiency compared to model-free algorithms by learning a predictive model of the environment. However, the performance of MBRL highly relies on the quality…

机器学习 · 计算机科学 2022-11-16 Xin-Yang Liu , Jian-Xun Wang