AIMC Topic: Quantum Theory

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An Allele Real-Coded Quantum Evolutionary Algorithm Based on Hybrid Updating Strategy.

Computational intelligence and neuroscience Jan 10, 2016
For improving convergence rate and preventing prematurity in quantum evolutionary algorithm, an allele real-coded quantum evolutionary algorithm based on hybrid updating strategy is presented. The real variables are coded with probability superpositi...
Artificial Intelligence Algorithms Computer Simulation Quantum Theory
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Complex Rotation Quantum Dynamic Neural Networks (CRQDNN) using Complex Quantum Neuron (CQN): Applications to time series prediction.

Neural networks : the official journal of the International Neural Network Society Jul 31, 2015
Quantum Neural Networks (QNN) models have attracted great attention since it innovates a new neural computing manner based on quantum entanglement. However, the existing QNN models are mainly based on the real quantum operations, and the potential of...
Quantum Theory Computers, Hybrid Forecasting Computer Simulation Rotation Neurons Prognosis Machine Learning Algorithms Neural Networks, Computer
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The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactions.

Journal of molecular graphics & modelling Jun 19, 2015
Structural and electronic factors influencing selective inhibition of cyclooxygenase-2 and 5-lipoxygenase (COX-2/5-LOX) were studied by using Electronic-Topological Method combined with Neural Networks (ETM-NN), molecular docking, and Density Functio...
Substrate Specificity Neural Networks, Computer Algorithms Protein Binding Structure-Activity Relationship Molecular Docking Simulation Humans Datasets as Topic Catalytic Domain Molecular Structure Cyclooxygenase 2 Ligands Arachidonate 5-Lipoxygenase Quantum Theory Lipoxygenase Inhibitors Cyclooxygenase 2 Inhibitors
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Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.

Journal of chemical theory and computation Apr 23, 2015
Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationa...
Quantum Theory Electrons Machine Learning Isomerism Thermodynamics Ketones
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Dicke simulators with emergent collective quantum computational abilities.

Physical review letters Apr 6, 2015
Using an approach inspired from spin glasses, we show that the multimode disordered Dicke model is equivalent to a quantum Hopfield network. We propose variational ground states for the system at zero temperature, which we conjecture to be exact in t...
Neural Networks, Computer Glass Quantum Theory Models, Theoretical Thermodynamics
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Machine learning in computational docking.

Artificial intelligence in medicine Feb 16, 2015
OBJECTIVE: The objective of this paper is to highlight the state-of-the-art machine learning (ML) techniques in computational docking. The use of smart computational methods in the life cycle of drug design is relatively a recent development that has...
Protein Conformation Proteins Databases, Protein Quantum Theory Ligands Data Interpretation, Statistical Humans Protein Binding Machine Learning Computational Biology
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Transfer-Learning Deep Raman Models Using Semiempirical Quantum Chemistry.

Journal of chemical information and modeling Jul 14, 2025
Biophotonic technologies such as Raman spectroscopy are powerful tools for obtaining highly specific molecular information. Due to its minimal sample preparation requirements, Raman spectroscopy is widely used across diverse scientific disciplines, o...
Deep Learning Spectrum Analysis, Raman Quantum Theory
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Quantum federated learning with pole-angle quantum local training and trainable measurement.

Neural networks : the official journal of the International Neural Network Society Jul 1, 2025
Recently, quantum federated learning (QFL) has received significant attention as an innovative paradigm. QFL has remarkable features by employing quantum neural networks (QNNs) instead of conventional neural networks owing to quantum supremacy. In or...
Neural Networks, Computer Machine Learning Algorithms Quantum Theory Federated Learning
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NepoIP/MM: Toward Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects.

Journal of chemical theory and computation Jun 10, 2025
Machine learning force fields offer the ability to simulate biomolecules with quantum mechanical accuracy while significantly reducing computational costs, attracting a growing amount of attention in biophysics. Meanwhile, by leveraging the efficienc...
Proteins Molecular Dynamics Simulation Quantum Theory Machine Learning Dipeptides Water Static Electricity
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High-Performance Computing-Based Brain Tumor Detection Using Parallel Quantum Dilated Convolutional Neural Network.

NMR in biomedicine Jun 1, 2025
In the healthcare field, brain tumor causes irregular development of cells in the brain. One of the popular ways to identify the brain tumor and its progression is magnetic resonance imaging (MRI). However, existing methods often suffer from high com...
Algorithms Humans Neural Networks, Computer Brain Neoplasms Magnetic Resonance Imaging Convolutional Neural Networks Quantum Theory
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