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A long-standing goal of science is to accurately solve the Schr\"odinger equation for large molecular systems. The poor scaling of current quantum chemistry algorithms on classical computers imposes an effective limit of about a few dozen…

Chemical Physics · Physics 2022-02-11 Joshua A. Rackers , Lucas Tecot , Mario Geiger , Tess E. Smidt

Recent advances in machine learning establish the ability of certain neural-network architectures called neural operators to approximate maps between function spaces. Motivated by a prospect of employing them in fundamental physics, we…

High Energy Physics - Theory · Physics 2023-11-20 Sebastian Mizera

We propose a new cognitive framework for option price modelling, using quantum neural computation formalism. Briefly, when we apply a classical nonlinear neural-network learning to a linear quantum Schr\"odinger equation, as a result we get…

Computational Finance · Quantitative Finance 2009-03-19 Vladimir G. Ivancevic

In this letter, motivated by the question that whether the empirical fitting of data by neural network can yield the same structure of physical laws, we apply the neural network to a simple quantum mechanical two-body scattering problem…

Computational Physics · Physics 2018-08-08 Yadong Wu , Pengfei Zhang , Huitao Shen , Hui Zhai

We provide in this paper a concrete method for training a quantum neural network to maximize the relevant information about a property that is transmitted through the network. This is significant because it gives an operationally well…

Quantum Physics · Physics 2024-01-23 Ahmet Burak Catli , Nathan Wiebe

Physics-informed neural networks (PINN) have been widely used in computational physics to solve partial differential equations (PDEs). In this study, we propose an energy-embedding-based physics-informed neural network method for solving…

Computational Physics · Physics 2025-06-02 Yi-Qiang Wu , Xuan Liu , Hanlin Li , Fuqiang Wang

With the rise of deep neural networks for quantum chemistry applications, there is a pressing need for architectures that, beyond delivering accurate predictions of chemical properties, are readily interpretable by researchers. Here, we…

Computational Physics · Physics 2018-06-28 Kristof T. Schütt , Michael Gastegger , Alexandre Tkatchenko , Klaus-Robert Müller

In this study, we solved Schr\"odinger equation with Cornell potential (Coulomb-plus-linear potential) by using neural network approach. Four different types of Cornell potential were used without a physical relevance. Besides that…

Computational Physics · Physics 2019-04-15 Halil Mutuk

We introduce a machine learning method in which energy solutions from the Schrodinger equation are predicted using symmetry adapted atomic orbitals features and a graph neural-network architecture. \textsc{OrbNet} is shown to outperform…

We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schr\"odinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that the trial wave-functions are physical.…

Computational Physics · Physics 2020-07-21 Jiequn Han , Linfeng Zhang , Weinan E

Given the success of deep learning in classical machine learning, quantum algorithms for traditional neural network architectures may provide one of the most promising settings for quantum machine learning. Considering a fully-connected…

Quantum Physics · Physics 2021-07-21 Alexander Zlokapa , Hartmut Neven , Seth Lloyd

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

This paper is concerned with the approximation of the solution of partial differential equations by means of artificial neural networks. Here a feedforward neural network is used to approximate the solution of the partial differential…

Numerical Analysis · Mathematics 2019-04-10 Henri Calandra , Serge Gratton , Elisa Riccietti , Xavier Vasseur

Two neural-network-based numerical schemes are proposed to solve the classical obstacle problems. The schemes are based on the universal approximation property of neural networks, and the cost functions are taken as the energy minimization…

Numerical Analysis · Mathematics 2022-08-10 Xinyue Evelyn Zhao , Wenrui Hao , Bei Hu

We consider a model of an artificial neural network based on quantum-mechanical particles in $W$ potential. These particles play the role of neurons in our model. To simulate such a quantum-mechanical system the Monte-Carlo integration…

Quantum Physics · Physics 2022-08-17 O. V. Pavlovsky , V. I. Dorozhinsky , S. D. Mostovoy

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

The use of machine learning methods to tackle challenging physical layer signal processing tasks has attracted significant attention. In this work, we focus on the use of neural networks (NNs) to perform pilot-assisted channel estimation in…

Signal Processing · Electrical Eng. & Systems 2020-02-26 Michel van Lier , Alexios Balatsoukas-Stimming , Henk Corporaaal , Zoran Zivkovic

This paper introduces a deep learning system based on a quantum neural network for the binary classification of points of a specific geometric pattern (Two-Moons Classification problem) on a plane. We believe that the use of hybrid deep…

Quantum Physics · Physics 2022-08-10 Marco Simonetti , Damiano Perri , Osvaldo Gervasi

We study the Schr\"odinger bridge problem when the endpoint distributions are available only through samples. Classical computational approaches estimate Schr\"odinger potentials via Sinkhorn iterations on empirical measures and then…

Machine Learning · Statistics 2026-02-10 Denis Belomestny , Alexey Naumov , Nikita Puchkin , Denis Suchkov

Finding accurate solutions to the Schr\"odinger equation is the key unsolved challenge of computational chemistry. Given its importance for the development of new chemical compounds, decades of research have been dedicated to this problem,…

Machine Learning · Computer Science 2022-10-12 Leon Gerard , Michael Scherbela , Philipp Marquetand , Philipp Grohs