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Physics-Informed Machine Learning (PIML) has gained momentum in the last 5 years with scientists and researchers aiming to utilize the benefits afforded by advances in machine learning, particularly in deep learning. With large scientific…

Computational Physics · Physics 2021-05-26 Samuel J. Raymond , David B. Camarillo

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

This paper introduces the MCML approach for empirically studying the learnability of relational properties that can be expressed in the well-known software design language Alloy. A key novelty of MCML is quantification of the performance of…

Machine Learning · Computer Science 2020-09-08 Muhammad Usman , Wenxi Wang , Kaiyuan Wang , Marko Vasic , Haris Vikalo , Sarfraz Khurshid

Machine Learning (ML) models are trained using historical data to classify new, unseen data. However, traditional computing resources often struggle to handle the immense amount of data, commonly known as Big Data, within a reasonable time…

Quantum Physics · Physics 2024-11-01 Minati Rath , Hema Date

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

Chemical Physics · Physics 2021-04-15 Lennard Böselt , Moritz Thürlemann , Sereina Riniker

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Machine Learning · Computer Science 2025-05-05 D. Patel , R. Sharma , Y. B. Guo

Presence of model uncertainties creates challenges for model-based control design, and complexity of the control design is further exacerbated when coping with nonlinear systems. This paper presents a sliding mode control (SMC) design…

Systems and Control · Electrical Eng. & Systems 2023-01-19 Sahand Mosharafian , Shirin Afzali , Yajie Bao , Javad Mohammadpour Velni

Physics-Informed Machine Learning (PIML) offers a powerful paradigm of integrating data with physical laws to address important scientific problems, such as parameter estimation, inferring hidden physics, equation discovery, and state…

Computational Engineering, Finance, and Science · Computer Science 2025-10-31 Letian Yi , Siyuan Yang , Ying Cui , Zhilu Lai

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…

Condensed Matter Physics (CMP) seeks to understand the microscopic interactions of matter at the quantum and atomistic levels, and describes how these interactions result in both mesoscopic and macroscopic properties. CMP overlaps with many…

Computational Physics · Physics 2020-11-12 Edwin A. Bedolla-Montiel , Luis Carlos Padierna , Ramón Castañeda-Priego

As powerful as machine learning (ML) techniques are in solving problems involving data with large dimensionality, explaining the results from the fitted parameters remains a challenging task of utmost importance, especially in physics…

Disordered Systems and Neural Networks · Physics 2024-04-15 Roberto C. Alamino

In the rapidly advancing field of multi-modal machine learning (MMML), the convergence of multiple data modalities has the potential to reshape various applications. This paper presents a comprehensive overview of the current state,…

Machine Learning · Computer Science 2023-07-31 Binyang Song , Rui Zhou , Faez Ahmed

The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…

Quantum Physics · Physics 2025-01-13 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Machine learning (ML) and a nonlinear model predictive controller (NMPC) are used in this paper to minimize the emissions and fuel consumption of a compression ignition engine. In this work machine learning is applied in two methods. In the…

Systems and Control · Electrical Eng. & Systems 2022-08-05 Armin Norouzi , Saeid Shahpouri , David Gordon , Alexander Winkler , Eugen Nuss , Dirk Abel , Jakob Andert , Mahdi Shahbakhti , Charles Robert Koch

Large language models (LLMs) have substantially advanced machine learning research, including natural language processing, computer vision, data mining, etc., yet they still exhibit critical limitations in explainability, reliability,…

Machine Learning · Computer Science 2025-09-19 Xin Wang , Haoyang Li , Haibo Chen , Zeyang Zhang , Wenwu Zhu

This paper reviews machine learning applications and approaches to detection, classification and control of intelligent materials and structures with embedded distributed computation elements. The purpose of this survey is to identify…

Machine Learning · Computer Science 2016-06-14 Dana Hughes , Nikolaus Correll

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization,…

Quantum Physics · Physics 2025-11-21 Su Yeon Chang , M. Cerezo

The recently proposed Multilinear Compressive Learning (MCL) framework combines Multilinear Compressive Sensing and Machine Learning into an end-to-end system that takes into account the multidimensional structure of the signals when…

Computer Vision and Pattern Recognition · Computer Science 2020-02-19 Dat Thanh Tran , Moncef Gabbouj , Alexandros Iosifidis