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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

Machine Learning (ML) techniques have been employed for the high energy physics (HEP) community since the early 80s to deal with a broad spectrum of problems. This work explores the prospects of using Deep Learning techniques to estimate…

High Energy Physics - Phenomenology · Physics 2022-06-22 Neelkamal Mallick , Suraj Prasad , Aditya Nath Mishra , Raghunath Sahoo , Gergely Gábor Barnaföldi

We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning (ML) algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei.…

Nuclear Theory · Physics 2023-04-19 M. R. Mumpower , M. Li , T. M. Sprouse , B. S. Meyer , A. E. Lovell , A. T. Mohan

Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions. Here we introduce a machine learning model…

Chemical Physics · Physics 2017-10-09 Tristan Bereau , Denis Andrienko , O. Anatole von Lilienfeld

Machine learning models play a vital role in the prediction task in several fields of study. In this work, we utilize the ability of machine learning algorithms to predict the occurrence of extreme events in a nonlinear mechanical system.…

Machine Learning · Computer Science 2021-12-03 J. Meiyazhagan , S. Sudharsan , A. Venkatasen , M. Senthilvelan

State-space models are a popular statistical framework for analysing sequential data. Within this framework, particle filters are often used to perform inference on non-linear state-space models. We introduce a new method, StateMixNN, that…

Machine Learning · Computer Science 2025-03-28 Benjamin Cox , Santiago Segarra , Victor Elvira

Quantum Molecular Dynamics models (QMD) are Monte Carlo approaches targeted at the description of nucleon-ion and ion-ion collisions. We have developed a QMD code, which has been used for the simulation of the fast stage of ion-ion…

Imitation learning has been widely used to learn control policies for autonomous driving based on pre-recorded data. However, imitation learning based policies have been shown to be susceptible to compounding errors when encountering states…

Machine Learning · Computer Science 2021-07-12 Sampo Kuutti , Saber Fallah , Richard Bowden

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Signal processing, communications, and control have traditionally relied on classical statistical modeling techniques. Such model-based methods utilize mathematical formulations that represent the underlying physics, prior information and…

Signal Processing · Electrical Eng. & Systems 2022-09-13 Nir Shlezinger , Jay Whang , Yonina C. Eldar , Alexandros G. Dimakis

Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning…

Chemical Physics · Physics 2022-08-23 Sajjad Heydari , Stefano Raniolo , Lorenzo Livi , Vittorio Limongelli

While distribution networks (DNs) turn from consumers to active and responsive intelligent DNs, the question of how to represent them in large-scale transmission network (TN) studies is still under investigation. The standard approach that…

Systems and Control · Electrical Eng. & Systems 2022-07-11 Johanna Vorwerk , Thierry Zufferey , Petros Aristidou , Gabriela Hug

Accurately predicting the dynamics of robotic systems is crucial for model-based control and reinforcement learning. The most common way to estimate dynamics is by fitting a one-step ahead prediction model and using it to recursively…

Machine Learning · Computer Science 2021-09-02 Nathan O. Lambert , Albert Wilcox , Howard Zhang , Kristofer S. J. Pister , Roberto Calandra

Millimeter-wave communication is a challenge in the highly mobile vehicular context. Traditional beam training is inadequate in satisfying low overheads and latency. In this paper, we propose to combine machine learning tools and…

Information Theory · Computer Science 2018-05-24 Yuyang Wang , Murali Narasimha , Robert W. Heath

Critical heat flux is a key quantity in boiling system modeling due to its impact on heat transfer and component temperature and performance. This study investigates the development and validation of an uncertainty-aware hybrid modeling…

Machine Learning · Computer Science 2025-07-17 Aidan Furlong , Xingang Zhao , Robert Salko , Xu Wu

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

Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

In this paper, we show the implementation of deep neural networks applied in process control. In our approach, we based the training of the neural network on model predictive control. Model predictive control is popular for its ability to…

Machine Learning · Computer Science 2019-12-11 Karol Kiš , Martin Klaučo

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

Nuclear Theory · Physics 2024-05-01 Jordan M. R. Fox , Kyle A. Wendt