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Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Machine Learning · Computer Science 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

Quantum algorithms based on quantum kernel methods have been investigated previously [1]. A quantum advantage is derived from the fact that it is possible to construct a family of datasets for which, only quantum processing can recognise…

Quantum Physics · Physics 2024-05-08 Sanjeev Naguleswaran

Quantum machine learning consists in taking advantage of quantum computations to generate classical data. A potential application of quantum machine learning is to harness the power of quantum computers for generating classical data, a…

We propose a classical-quantum hybrid algorithm for machine learning on near-term quantum processors, which we call quantum circuit learning. A quantum circuit driven by our framework learns a given task by tuning parameters implemented on…

Quantum Physics · Physics 2019-04-25 Kosuke Mitarai , Makoto Negoro , Masahiro Kitagawa , Keisuke Fujii

Deep neural networks (DNNs) transform stimuli across multiple processing stages to produce representations that can be used to solve complex tasks, such as object recognition in images. However, a full understanding of how they achieve this…

Neurons and Cognition · Quantitative Biology 2018-11-01 David G. T. Barrett , Ari S. Morcos , Jakob H. Macke

Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…

Chemical Physics · Physics 2025-05-19 Paul Fuchs , Stephan Thaler , Sebastien Röcken , Julija Zavadlav

We consider state of the art applications of artificial intelligence (AI) in modelling human financial expectations and explore the potential of quantum logic to drive future advancements in this field. This analysis highlights the…

Computational Finance · Quantitative Finance 2025-10-08 Fabio Bagarello , Francesco Gargano , Polina Khrennikova

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

The integration of deep learning techniques and physics-driven designs is reforming the way we address inverse problems, in which accurate physical properties are extracted from complex data sets. This is particularly relevant for quantum…

High Energy Physics - Lattice · Physics 2025-01-13 Gert Aarts , Kenji Fukushima , Tetsuo Hatsuda , Andreas Ipp , Shuzhe Shi , Lingxiao Wang , Kai Zhou

Magnetic resonance image reconstruction starting from undersampled k-space data requires the recovery of many potential nonlinear features, which is very difficult for algorithms to recover these features. In recent years, the development…

Image and Video Processing · Electrical Eng. & Systems 2024-10-15 Shuo Zhou , Yihang Zhou , Congcong Liu , Yanjie Zhu , Hairong Zheng , Dong Liang , Haifeng Wang

In this essay we conjecture that quantum fields such as the Higgs field is related to a restricted Boltzmann machine for deep neural networks. An accelerating Rindler observer in a flat spacetime sees the quantum fields having a thermal…

General Physics · Physics 2020-06-03 Jae-Weon Lee

Characterization of quantum objects, being them states, processes, or measurements, complemented by previous knowledge about them is a valuable approach, especially as it leads to routine procedures for real-life components. To this end,…

Quantum Physics · Physics 2023-06-28 Massimiliano Guarneri , Ilaria Gianani , Marco Barbieri , Andrea Chiuri

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Quantum and classical machine learning have been naturally connected through kernel methods, which have also served as proof-of-concept for quantum advantage. Quantum embeddings encode classical data into quantum feature states, enabling…

Quantum Physics · Physics 2025-07-01 Pablo Rodriguez-Grasa , Yue Ban , Mikel Sanz

Quantum neural networks (QNNs) have become an important tool for understanding the physical world, but their advantages and limitations are not fully understood. Some QNNs with specific encoding methods can be efficiently simulated by…

Quantum Physics · Physics 2023-10-31 Yuxuan Du , Yibo Yang , Dacheng Tao , Min-Hsiu Hsieh

The power of quantum computers is still somewhat speculative. While they are certainly faster than classical ones at some tasks, the class of problems they can efficiently solve has not been mapped definitively onto known classical…

Quantum Physics · Physics 2020-07-09 N. H. Nguyen , E. C. Behrman , M. A. Moustafa , J. E. Steck

Quantum neural networks (QNNs) leverage quantum entanglement and superposition to enable large-scale parallel linear computation, offering a potential solution to the scalability limits of classical deep learning. However, their practical…

Quantum Physics · Physics 2025-08-05 Pei-Kun Yang

We propose a novel framework based on neural network that reformulates classical mechanics as an operator learning problem. A machine directly maps a potential function to its corresponding trajectory in phase space without solving the…

Machine Learning · Computer Science 2024-11-11 Tae-Geun Kim , Seong Chan Park

Deep quantum neural networks may provide a promising way to achieve quantum learning advantage with noisy intermediate scale quantum devices. Here, we use deep quantum feedforward neural networks capable of universal quantum computation to…

Quantum Physics · Physics 2020-08-14 Zidu Liu , L. -M. Duan , Dong-Ling Deng

It is a critical challenge to simultaneously gain high interpretability and efficiency with the current schemes of deep machine learning (ML). Tensor network (TN), which is a well-established mathematical tool originating from quantum…

Quantum Physics · Physics 2023-11-21 Shi-Ju Ran , Gang Su
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