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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…

化学物理 · 物理学 2018-12-20 Frank Noé

Machine learning (ML) applications in medical artificial intelligence (AI) systems have shifted from traditional and statistical methods to increasing application of deep learning models. This survey navigates the current landscape of…

机器学习 · 计算机科学 2024-01-23 Elisa Warner , Joonsang Lee , William Hsu , Tanveer Syeda-Mahmood , Charles Kahn , Olivier Gevaert , Arvind Rao

Recent years have witnessed widespread adoption of machine learning (ML)/deep learning (DL) techniques due to their superior performance for a variety of healthcare applications ranging from the prediction of cardiac arrest from…

机器学习 · 计算机科学 2020-01-23 Adnan Qayyum , Junaid Qadir , Muhammad Bilal , Ala Al-Fuqaha

The last few decades have witnessed a growing interest in location-based services. Using localization systems based on Radio Frequency (RF) signals has proven its efficacy for both indoor and outdoor applications. However, challenges remain…

系统与控制 · 电气工程与系统科学 2020-12-22 Daoud Burghal , Ashwin T. Ravi , Varun Rao , Abdullah A. Alghafis , Andreas F. Molisch

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on…

In this survey paper, we systematically summarize existing literature on bearing fault diagnostics with machine learning (ML) and data mining techniques. While conventional ML methods, including artificial neural network (ANN), principal…

机器学习 · 计算机科学 2020-02-20 Shen Zhang , Shibo Zhang , Bingnan Wang , Thomas G. Habetler

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Machine learning (ML)-based solutions are rapidly changing the landscape of many fields, including structural engineering. Despite their promising performance, these approaches are usually only demonstrated as proof-of-concept in structural…

机器学习 · 计算机科学 2025-08-20 Mohsen Zaker Esteghamati , Brennan Bean , Henry V. Burton , M. Z. Naser

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to…

机器学习 · 计算机科学 2021-01-12 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami

Recent developments in applied mathematics increasingly employ machine learning (ML)-particularly supervised learning-to accelerate numerical computations, such as solving nonlinear partial differential equations. In this work, we extend…

混沌动力学 · 物理学 2025-09-03 V. R. Tjahjono , S. F. Feng , E. R. M. Putri , H. Susanto

Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations. To address this, enhanced sampling methods have been developed to improve exploration of…

统计力学 · 物理学 2023-06-19 Shams Mehdi , Zachary Smith , Lukas Herron , Ziyue Zou , Pratyush Tiwary

Context: Machine Learning (ML) has become widely adopted as a component in many modern software applications. Due to the large volumes of data available, organizations want to increasingly leverage their data to extract meaningful insights…

软件工程 · 计算机科学 2023-11-02 Hira Naveed , Chetan Arora , Hourieh Khalajzadeh , John Grundy , Omar Haggag

Classical molecular dynamics (MD) simulations will be able to reach sampling in the second timescale within five years, producing petabytes of simulation data at current force field accuracy. Notwithstanding this, MD will still be in the…

生物大分子 · 定量生物学 2018-10-24 Adrià Pérez , Gerard Martínez-Rosell , Gianni De Fabritiis

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

化学物理 · 物理学 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

The building energy (BE) management has an essential role in urban sustainability and smart cities. Recently, the novel data science and data-driven technologies have shown significant progress in analyzing the energy consumption and energy…

机器学习 · 计算机科学 2022-02-25 Ardabili Sina , Leila Abdolalizadeh , Csaba Mako , Bernat Torok , Mosavi Amir

This review covers the new developments in machine learning (ML) that are impacting the multi-disciplinary area of aerospace engineering, including fundamental fluid dynamics (experimental and numerical), aerodynamics, acoustics, combustion…

Nowadays, machine learning (ML) is being used in software systems with multiple application fields, from medicine to software engineering (SE). On the one hand, the popularity of ML in the industry can be seen in the statistics showing its…

软件工程 · 计算机科学 2023-05-09 Anamaria Mojica-Hanke

Thanks to the increasing availability of granular, yet high-dimensional, firm level data, machine learning (ML) algorithms have been successfully applied to address multiple research questions related to firm dynamics. Especially supervised…

综合经济学 · 经济学 2021-12-03 Falco J. Bargagli-Stoffi , Jan Niederreiter , Massimo Riccaboni

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

材料科学 · 物理学 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

计算物理 · 物理学 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary