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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…

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

Quantum Machine Learning (QML) has emerged as a promising framework for exploring how quantum dynamics may enhance data processing tasks. Here we investigate Quantum Extreme Learning Machines (QELMs), a quantum analogue of classical Extreme…

Quantum Physics · Physics 2026-04-27 A. De Lorenzis , M. P. Casado , N. Lo Gullo , T. Lux , F. Plastina , A. Riera

An essential task in predictive maintenance is the prediction of the Remaining Useful Life (RUL) through the analysis of multivariate time series. Using the sliding window method, Convolutional Neural Network (CNN) and conventional…

Machine Learning · Computer Science 2020-08-11 Yexu Zhou , Yuting Gao , Yiran Huang , Michael Hefenbrock , Till Riedel , Michael Beigl

Quantum reinforcement learning (QRL) has emerged as a framework to solve sequential decision-making tasks, showcasing empirical quantum advantages. A notable development is through quantum recurrent neural networks (QRNNs) for…

Quantum Physics · Physics 2023-09-15 Samuel Yen-Chi Chen

This study presents the applicability of conventional deep recurrent neural networks (RNN) to predict path-dependent plasticity associated with material heterogeneity and anisotropy. Although the architecture of RNN possesses inductive…

Disordered Systems and Neural Networks · Physics 2022-04-06 Ehsan Motevali Haghighi , SeonHong Na

Long Short-Term Memory (LSTM) is a recurrent neural network (RNN) architecture that has been designed to address the vanishing and exploding gradient problems of conventional RNNs. Unlike feedforward neural networks, RNNs have cyclic…

Neural and Evolutionary Computing · Computer Science 2014-02-06 Haşim Sak , Andrew Senior , Françoise Beaufays

Weak measurements of a superconducting qubit produce noisy voltage signals that are weakly correlated with the qubit state. To recover individual quantum trajectories from these noisy signals, traditional methods require slow qubit dynamics…

This paper investigates an important problem of an appropriate variance-covariance matrix estimation in the Modern Portfolio Theory. We propose a novel framework for variancecovariance matrix estimation for purposes of the portfolio…

Portfolio Management · Quantitative Finance 2025-08-22 Maciej Wysocki , Paweł Sakowski

This work presents a hybrid modeling approach to data-driven learning and representation of unknown physical processes and closure parameterizations. These hybrid models are suitable for situations where the mechanistic description of…

Computational Physics · Physics 2021-08-17 Suraj Pawar , Omer San , Adil Rasheed , Ionel M. Navon

The simulation of many-body open quantum systems is key to solving numerous outstanding problems in physics, chemistry, material science, and in the development of quantum technologies. Near-term quantum computers may bring considerable…

Quantum Physics · Physics 2025-02-05 Sara Santos , Xinyu Song , Vincenzo Savona

The Quantum Approximate Optimization Algorithm (QAOA) is a leading approach for solving combinatorial optimization problems on near-term quantum processors. However, finding good variational parameters remains a significant challenge due to…

Quantum Physics · Physics 2025-12-05 Yu-Cheng Lin , Yu-Chao Hsu , Samuel Yen-Chi Chen

Accurate short-term energy consumption forecasting is essential for efficient power grid management, resource allocation, and market stability. Traditional time-series models often fail to capture the complex, non-linear dependencies and…

Computers and Society · Computer Science 2026-01-27 Abhishek Maity , Viraj Tukarul

Machine learning techniques are powerful tools for construction of emulators for complex systems. We explore different machine learning methods and conceptual methodologies, ranging from functional approximations to dynamical…

Dynamical Systems · Mathematics 2021-01-01 Hannah Lu , Dinara Ermakova , Haruko Murakami Wainwright , Liange Zheng , Daniel M. Tartakovsky

Modeling high-dimensional, nonlinear dynamic structural systems under natural hazards presents formidable computational challenges, especially when simultaneously accounting for uncertainties in external loads and structural parameters.…

Machine Learning · Computer Science 2026-03-13 Haimiti Atila , Seymour M. J. Spence

Traditional Recurrent Neural Networks (RNNs) and Long Short-Term Memory (LSTM) units operate on discrete time steps, often failing to capture the fluid temporal dynamics of real-world physical processes. Liquid Neural Networks (LNNs),…

Machine Learning · Computer Science 2026-05-28 Ye Kyaw Thu , Thazin Myint Oo , Thepchai Supnithi

Quantum Approximate Optimization Algorithms (QAOA) promise efficient solutions to classically intractable combinatorial optimization problems by harnessing shallow-depth quantum circuits. Yet, their performance and scalability often hinge…

Quantum Physics · Physics 2025-05-02 Kuan-Cheng Chen , Hiromichi Matsuyama , Wei-Hao Huang

Recent advances in quantum computing (QC) and machine learning (ML) have drawn significant attention to the development of quantum machine learning (QML). Reinforcement learning (RL) is one of the ML paradigms which can be used to solve…

Quantum Physics · Physics 2022-10-27 Samuel Yen-Chi Chen

Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a structured overview of recent advances that bridge foundational…

Quantum Physics · Physics 2026-02-25 Vinit Singh , Amandeep Singh Bhatia , Mandeep Kaur Saggi , Manas Sajjan , Sabre Kais

Recurrent neural networks play an important role in both research and industry. With the advent of quantum machine learning, the quantisation of recurrent neural networks has become recently relevant. We propose fully quantum recurrent…

Quantum Physics · Physics 2023-01-20 Dmytro Bondarenko , Robert Salzmann , Viktoria-S. Schmiesing

Autonomous magnetic catheter systems are emerging as a promising approach for the future of minimally invasive interventions. This study presents a novel approach that begins by modeling the nonlinear and hysteretic dynamics of a…

Systems and Control · Electrical Eng. & Systems 2025-12-25 Arya Rashidinejad Meibodi , Mahbod Gholamali Sinaki , Khalil Alipour