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Related papers: Machine Learning Wavefunction

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A quantum-mechanical wave function is complex, but all observations are real, expressible through expectation values and transition matrix elements that involve the wave functions. It can be useful to separate at the outset the amplitude…

Quantum Physics · Physics 2025-07-01 A. R. P. Rau

Fuelled by increasing computer power and algorithmic advances, machine learning techniques have become powerful tools for finding patterns in data. Since quantum systems produce counter-intuitive patterns believed not to be efficiently…

Quantum Physics · Physics 2018-05-14 Jacob Biamonte , Peter Wittek , Nicola Pancotti , Patrick Rebentrost , Nathan Wiebe , Seth Lloyd

Unfolding in high energy physics represents the correction of measured spectra in data for the finite detector efficiency, acceptance, and resolution from the detector to particle level. Recent machine learning approaches provide unfolding…

High Energy Physics - Experiment · Physics 2021-08-04 Petr Baron

Simulations at the atomic scale provide a direct and effective way to understand the mechanical properties of materials. In the regime of classical mechanics, simulations for the thermodynamic properties of metals and alloys can be done by…

Computational Physics · Physics 2019-11-05 Ka-Ming Tam , Nicholas Walker , Samuel Kellar , Mark Jarrell

Machine Learning techniques can be used to represent high-dimensional potential energy surfaces for reactive chemical systems. Two such methods are based on a reproducing kernel Hilbert space representation or on deep neural networks. They…

Chemical Physics · Physics 2019-09-19 Oliver T. Unke , Markus Meuwly

Partial differential equations (PDEs) are among the most universal and parsimonious descriptions of natural physical laws, capturing a rich variety of phenomenology and multi-scale physics in a compact and symbolic representation. This…

Machine Learning · Computer Science 2023-03-31 Steven L. Brunton , J. Nathan Kutz

Power systems usually go through electromagnetic and electromechanical transient processes after different disturbances. Learning the characteristics and the differences between them are important but not easy for students majoring in power…

Systems and Control · Electrical Eng. & Systems 2022-02-01 Abdulelah Alharbi , Shutang You

Under unitary evolution, a typical macroscopic quantum system is thought to develop wavefunction branches: a time-dependent decomposition into orthogonal components that (1) form a tree structure forward in time, (2) are approximate…

Quantum Physics · Physics 2025-06-19 C. Jess Riedel

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine…

Chemical Physics · Physics 2024-10-02 Fabian L. Thiemann , Niamh O'Neill , Venkat Kapil , Angelos Michaelides , Christoph Schran

This paper aims at presenting a new approach to the electro-sensing problem using wavelets. It provides an efficient algorithm for recognizing the shape of a target from micro-electrical impedance measurements. Stability and resolution…

Numerical Analysis · Mathematics 2013-10-11 Habib Ammari , Stéphane Mallat , Irène Waldspurger , Han Wang

A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…

Computational Physics · Physics 2021-11-24 Jean-Luc Fattebert

High-order wave-making theories are becoming available but are limited to certain ranges of waves and wavemaker types in their applicability. Alternatively, machine learning can be considered to find nonlinear functional relationships.…

Fluid Dynamics · Physics 2022-02-24 Yulin Xie , Xizeng Zhao

Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…

Chemical Physics · Physics 2023-04-07 Róbert Izsák , Aleksei V Ivanov , Nick S. Blunt , Nicole Holzmann , Frank Neese

Scattering of electromagnetic waves by many small particles of arbitrary shapes is reduced rigorously to solving linear algebraic system of equations bypassing the usual usage of integral equations. The matrix elements of this linear…

Mathematical Physics · Physics 2009-11-11 A. G. Ramm

The many ways in which machine and deep learning are transforming the analysis and simulation of data in particle physics are reviewed. The main methods based on boosted decision trees and various types of neural networks are introduced,…

Data Analysis, Statistics and Probability · Physics 2020-05-07 Dimitri Bourilkov

This article reveals the future prospects of quantum algorithms in high energy physics (HEP). Particle identification, knowing their properties and characteristics is a challenging problem in experimental HEP. The key technique to solve…

Quantum Physics · Physics 2020-11-24 Kapil K. Sharma

Many supervised machine learning methods have revolutionised the empirical modelling of complex systems. These empirical models, however, are usually "black boxes" and provide only limited physical explanations about the underlying systems.…

Machine Learning (ML) is an application of Artificial Intelligence (AI) that uses big data to produce complex predictions and decision-making systems, which would be challenging to obtain otherwise. To ensure the success of ML-enabled…

Software Engineering · Computer Science 2021-09-03 Khan Mohammad Habibullah , Jennifer Horkoff

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

Materials Science · Physics 2018-10-04 Johannes J. Möller , Wolfgang Körner , Georg Krugel , Daniel F. Urban , Christian Elsässer