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Machine learning force fields (MLFFs), which employ neural networks to map atomic structures to system energies, effectively combine the high accuracy of first-principles calculation with the computational efficiency of empirical force…

Machine Learning · Computer Science 2025-11-17 Guangyi Dong , Zhihui Wang

A deep learning model is employed to address the challenging problem of V2O5 nanoparticle segmentation and the correlation between the chemical composition and the geometrical features of lithiated V2O5 nanoparticles as an exemplar of a…

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)…

Computational Physics · Physics 2022-07-27 Rui Guo , Tianyao Huang , Maokun Li , Haiyang Zhang , Yonina C. Eldar

Lithium-ion battery packs are usually composed of hundreds of cells arranged in series and parallel connections. The proper functioning of these complex devices requires suitable Battery Management Systems (BMSs). Advanced BMSs rely on…

Systems and Control · Electrical Eng. & Systems 2019-09-30 Andrea Pozzi , Marcello Torchio , Richard D. Braatz , Davide M. Raimondo

Efficient and accurate prediction of Multiphysics evolution across diverse cell geometries is fundamental to the design, management and safety of lithium-ion batteries. However, existing computational frameworks struggle to capture the…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Zhiwei Zhao , Changqing Liu , Jie Lin , Fan Yang , Yifan Zhang , Yan Jin , Yingguang Li

We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…

Lithium-ion battery (Li-ion) is becoming the dominant energy storage solution in many applications such as hybrid electric and electric vehicles, due to its higher energy density and longer life cycle. For these applications, the battery…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Jeongeun Son , Yuncheng Du

This article is intended for physical scientists who wish to gain deeper insights into machine learning algorithms which we present via the domain they know best, physics. We begin with a review of two energy-based machine learning…

Disordered Systems and Neural Networks · Physics 2021-12-03 Stephon Alexander , Sarah Bawabe , Batia Friedman-Shaw , Michael W. Toomey

We present a response-augmented machine learning (ML) approach to the energetics of electrified metal surfaces. We leverage local descriptors to learn the work function as the first-order energy change to introduced bias charges and…

Materials Science · Physics 2025-05-27 Nicolas Bergmann , Nicéphore Bonnet , Nicola Marzari , Karsten Reuter , Nicolas G. Hörmann

Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and…

Machine Learning · Computer Science 2025-08-29 Angan Mukherjee , Victor M. Zavala

This article proposes a Mix Neural Network (MNN) based on CNN-FCNN for predicting magnetic loss of different materials. In traditional magnetic core loss models, empirical equations usually need to be regressed under the same external…

Machine Learning · Computer Science 2025-02-11 Junqi He , Yifeng Wei , Daiguang Jin

Reduced-order models that accurately abstract high fidelity models and enable faster simulation is vital for real-time, model-based diagnosis applications. In this paper, we outline a novel hybrid modeling approach that combines machine…

Signal Processing · Electrical Eng. & Systems 2020-03-06 Ion Matei , Johan de Kleer , Alexander Feldman , Rahul Rai , Souma Chowdhury

We propose a forecasting technique based on multi-feature data fusion to enhance the accuracy of an electric vehicle (EV) charging station load forecasting deep-learning model. The proposed method uses multi-feature inputs based on…

Systems and Control · Electrical Eng. & Systems 2023-02-01 Prince Aduama , Zhibo Zhang , Ameena S. Al Sumaiti

Extreme weather variations and the increasing unpredictability of load behavior make it difficult to determine power grid dispatches that are robust to uncertainties. While machine learning (ML) methods have improved the ability to model…

Systems and Control · Electrical Eng. & Systems 2025-07-21 Aayushya Agarwal , Larry Pileggi

We introduce two synthetic likelihood methods for Simulation-Based Inference (SBI), to conduct either amortized or targeted inference from experimental observations when a high-fidelity simulator is available. Both methods learn a…

Machine Learning · Computer Science 2023-04-19 Pierre Glaser , Michael Arbel , Samo Hromadka , Arnaud Doucet , Arthur Gretton

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

A hybrid machine learning and process-based-modeling (PBM) approach is proposed and evaluated at a handful of AmeriFlux sites to simulate the top-layer soil moisture state. The Hybrid-PBM (HPBM) employed here uses the Noah land-surface…

Machine Learning · Computer Science 2020-05-12 Craig Pelissier , Jonathan Frame , Grey Nearing

This letter develops a novel physics-informed neural ordinary differential equations-based framework to emulate the proprietary dynamics of the inverters -- essential for improved accuracy in grid dynamic simulations. In current industry…

Systems and Control · Electrical Eng. & Systems 2025-07-22 Kyung-Bin Kwon , Sayak Mukherjee , Ramij R. Hossain , Marcelo Elizondo

This paper presents a comprehensive review of AI-driven prognostics for State of Health (SoH) prediction in lithium-ion batteries. We compare the effectiveness of various AI algorithms, including FFNN, LSTM, and BiLSTM, across multiple…

Artificial Intelligence · Computer Science 2025-04-09 Tianqi Ding , Dawei Xiang , Tianyao Sun , YiJiashum Qi , Zunduo Zhao

Battery management systems may rely on mathematical models to provide higher performance than standard charging protocols. Electrochemical models allow us to capture the phenomena occurring inside a lithium-ion cell and therefore, could be…

Computational Engineering, Finance, and Science · Computer Science 2020-05-12 Andrea Pozzi , Xiangzhong Xie , Davide M Raimondo , René Schenkendorf