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Deep learning (DL) models have seen increased attention for time series forecasting, yet the application on cyber-physical systems (CPS) is hindered by the lacking robustness of these methods. Thus, this study evaluates the robustness and…

Machine Learning · Computer Science 2023-06-14 Alexander Windmann , Henrik Steude , Oliver Niggemann

Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…

Chemical Physics · Physics 2025-11-04 Valerii Andreichev , Sena Aydin , Kai Töpfer , Markus Meuwly , Luis Itza Vazquez-Salazar

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

Advancements in digital automation for smart grids have led to the installation of measurement devices like phasor measurement units (PMUs), micro-PMUs ($\mu$-PMUs), and smart meters. However, a large amount of data collected by these…

Systems and Control · Electrical Eng. & Systems 2023-09-20 Mehdi Jabbari Zideh , Paroma Chatterjee , Anurag K. Srivastava

The topics of Artificial intelligence (AI) and especially Machine Learning (ML) are increasingly making their way into educational curricula. To facilitate the access for students, a variety of platforms, visual tools, and digital games are…

Computers and Society · Computer Science 2024-11-11 Hendrik Krone , Pierre Haritz , Thomas Liebig

Cyber-physical systems have encountered a huge success in the past decade in several scientific communities, and specifically in production topics. The main attraction of the concept relies in the fact that it encompasses many scientific…

Software Engineering · Computer Science 2018-11-09 Olivier Cardin

Cyber-physical production systems (CPPS) integrate physical and computational resources due to increasingly available sensors and processing power. This enables the usage of data, to create additional benefit, such as condition monitoring…

Computers and Society · Computer Science 2019-06-04 Andreas Bunte , Andreas Fischbach , Jan Strohschein , Thomas Bartz-Beielstein , Heide Faeskorn-Woyke , Oliver Niggemann

Reliability is one of the major design criteria in Cyber-Physical Systems (CPSs). This is because of the existence of some critical applications in CPSs and their failure is catastrophic. Therefore, employing strong error detection and…

Machine Learning · Computer Science 2023-06-07 Seyyedamirhossein Saeidi , Forouzan Fallah , Saeed Samieezafarghandi , Hamed Farbeh

Rational design of compounds with specific properties requires conceptual understanding and fast evaluation of molecular properties throughout chemical compound space (CCS) -- the huge set of all potentially stable molecules. Recent…

Chemical Physics · Physics 2019-12-02 O. Anatole von Lilienfeld , Klaus-Robert Müller , Alexandre Tkatchenko

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…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are…

Machine Learning · Computer Science 2023-03-08 Zhongkai Hao , Songming Liu , Yichi Zhang , Chengyang Ying , Yao Feng , Hang Su , Jun Zhu

Molecules and materials are the foundation for the development of modern advanced industries such as energy storage systems and semiconductor devices. However, traditional trial-and-error methods or theoretical calculations are highly…

Continual learning (CL) is a branch of machine learning that aims to enable agents to adapt and generalise previously learned abilities so that these can be reapplied to new tasks or environments. This is particularly useful in multi-task…

Machine Learning · Computer Science 2025-11-20 Kim N. Nolle , Ivana Dusparic , Rhodri Cusack , Vinny Cahill

Recent efforts in Machine Learning (ML) interpretability have focused on creating methods for explaining black-box ML models. However, these methods rely on the assumption that simple approximations, such as linear models or decision-trees,…

Machine Learning · Computer Science 2019-06-13 Owen Lahav , Nicholas Mastronarde , Mihaela van der Schaar

This study presents a comprehensive overview of PIML techniques in the context of condition monitoring. The central concept driving PIML is the incorporation of known physical laws and constraints into machine learning algorithms, enabling…

Machine Learning · Computer Science 2024-01-23 Yuandi Wu , Brett Sicard , Stephen Andrew Gadsden

The rapid development of machine learning (ML) methods has fundamentally affected numerous applications ranging from computer vision, biology, and medicine to accounting and text analytics. Until now, it was the availability of large and…

Data Analysis, Statistics and Probability · Physics 2022-04-12 Sergei V. Kalinin , Maxim Ziatdinov , Bobby G. Sumpter , Andrew D. White

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

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

Machine learning (ML) is a subfield of artificial intelligence. The term applies broadly to a collection of computational algorithms and techniques that train systems from raw data rather than a priori models. ML techniques are now…

The rapid evolution of Cyber-Physical Systems (CPS) across various domains like mobility systems, networked control systems, sustainable manufacturing, smart power grids, and the Internet of Things necessitates innovative solutions that…

Optimization and Control · Mathematics 2024-06-25 Andreas A. Malikopoulos