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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…

Modern machine learning (ML) systems excel in recognising and classifying images with remarkable accuracy. However, like many computer software systems, they can fail by generating confusing or erroneous outputs or by deferring to human…

An artificial neural network (ANN) with the restricted Boltzmann machine (RBM) architecture was recently proposed as a versatile variational quantum many-body wave function. In this work we provide physical insights into the performance of…

The detection of Alzheimer disease (AD) from clinical MRI data is an active area of research in medical imaging. Recent advances in quantum computing, particularly the integration of parameterized quantum circuits (PQCs) with classical…

This article expands on research that has been done to develop a recurrent neural network (RNN) capable of predicting aircraft engine vibrations using long short-term memory (LSTM) neurons. LSTM RNNs can provide a more generalizable and…

The use of machine learning (ML) algorithms in molecular simulations has become commonplace in recent years. There now exists, for instance, a multitude of ML force field algorithms that have enabled simulations approaching ab initio level…

Quantum Neural Networks (QNNs), a prominent approach in Quantum Machine Learning (QML), are emerging as a powerful alternative to classical machine learning methods. Recent studies have focused on the applicability of QNNs to various tasks,…

Machine learning approaches have recently been leveraged as a substitute or an aid for physical/mathematical modeling approaches to dynamical systems. To develop an efficient machine learning method dedicated to modeling and prediction of…

Remaining useful life (RUL) estimation is a crucial component in the implementation of intelligent predictive maintenance and health management. Deep neural network (DNN) approaches have been proven effective in RUL estimation due to their…

The rapid advancement of quantum computing (QC) and machine learning (ML) has given rise to the burgeoning field of quantum machine learning (QML), aiming to capitalize on the strengths of quantum computing to propel ML forward. Despite its…

Quantum Machine Learning (QML) has come into the limelight due to the exceptional computational abilities of quantum computers. With the promises of near error-free quantum computers in the not-so-distant future, it is important that the…

Remaining Useful Life (RUL) of a component or a system is defined as the length from the current time to the end of the useful life. Accurate RUL estimation plays a crucial role in Predictive Maintenance applications. Traditional regression…

We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance…

Machine Learning (ML) has become a promising tool for improving the quality of atomistic simulations. Using formaldehyde as a benchmark system for intramolecular interactions, a comparative assessment of ML models based on state-of-the-art…

With the increasing use of nonlinear devices in both generation and consumption of power, it is essential that we develop accurate and quick control for active filters to suppress harmonics. Time delays between input and output are…

Quantum machine learning (QML) is the spearhead of quantum computer applications. In particular, quantum neural networks (QNN) are actively studied as the method that works both in near-term quantum computers and fault-tolerant quantum…

Automatic modulation recognition (AMR) is a promising technology for intelligent communication receivers to detect signal modulation schemes. Recently, the emerging deep learning (DL) research has facilitated high-performance DL-AMR…

Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds…

Circuits of biological neurons, such as in the functional parts of the brain can be modeled as networks of coupled oscillators. Inspired by the ability of these systems to express a rich set of outputs while keeping (gradients of) state…

Quantum machine learning (QML) is an emerging field that investigates the capabilities of quantum computers for learning tasks. While QML models can theoretically offer advantages such as exponential speed-ups, challenges in data loading…