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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

Correlated photon pairs, carrying strong quantum correlations, have been harnessed to bring quantum advantages to various fields from biological imaging to range finding. Such inherent non-classical properties support extracting more valid…

Quantum Physics · Physics 2020-06-18 Zhan-Ming Li , Shi-Bao Wu , Jun Gao , Heng Zhou , Zeng-Quan Yan , Ruo-Jing Ren , Si-Yuan Yin , Xian-Min Jin

Learning the Hamiltonian governing a quantum system is a central task in quantum metrology, sensing, and device characterization. Existing Heisenberg-limited Hamiltonian learning protocols either require multi-qubit operations that are…

Quantum Physics · Physics 2026-01-16 Shrigyan Brahmachari , Shuchen Zhu , Iman Marvian , Yu Tong

Characterizing quantum systems by learning their underlying Hamiltonians is a central task in quantum information science. While recent algorithmic advances have achieved near-optimal efficiency in this task, they critically rely on…

Quantum Physics · Physics 2026-05-01 Myeongjin Shin , Junseo Lee , Changhun Oh

Recently it has been shown that transmon qubit architectures experience a transition between a many-body localized and a quantum chaotic phase. While it is crucial for quantum computation that the system remains in the localized regime, the…

Quantum Physics · Physics 2024-03-22 Evangelos Varvelis , David P. DiVincenzo

Originating from image recognition, methods of machine learning allow for effective feature extraction and dimensionality reduction in multidimensional datasets, thereby providing an extraordinary tool to deal with classical and quantum…

Statistical Mechanics · Physics 2019-01-16 Albert A. Shirinyan , Valerii K. Kozin , Johan Hellsvik , Manuel Pereiro , Olle Eriksson , Dmitry Yudin

This paper presents a generalization to image matching of the Hamiltonian approach for planar curve matching developed in the context of group of diffeomorphisms. We propose an efficient framework to deal with discontinuous images in any…

Optimization and Control · Mathematics 2008-01-15 François-Xavier Vialard

We study the problem of Hamiltonian structure learning from real-time evolution: given the ability to apply $e^{-\mathrm{i} Ht}$ for an unknown local Hamiltonian $H = \sum_{a = 1}^m \lambda_a E_a$ on $n$ qubits, the goal is to recover $H$.…

Quantum Physics · Physics 2026-05-11 Ainesh Bakshi , Allen Liu , Ankur Moitra , Ewin Tang

In this paper, training a neural network is identified, exactly, as a search through Hamilton--Jacobi initial-value problems: each gradient step selects the initial data of a viscous Hamilton--Jacobi equation whose Hopf--Cole propagator…

Machine Learning · Computer Science 2026-05-29 Jose Marie Antonio Miñoza , Erika Fille T. Legara , Christopher P. Monterola

Patterns arise spontaneously in a range of systems spanning the sciences, and their study typically focuses on mechanisms to understand their evolution in space-time. Increasingly, there has been a transition towards controlling these…

Soft Condensed Matter · Physics 2024-10-17 Vishaal Krishnan , Sumit Sinha , L. Mahadevan

We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density…

Computational Physics · Physics 2020-09-01 Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

There has been increasing interest in methodologies that incorporate physics priors into neural network architectures to enhance their modeling capabilities. A family of these methodologies that has gained traction are Hamiltonian neural…

Classical Physics · Physics 2024-12-05 Ignacio Puiggros T. , A. Srikantha Phani

This paper proposes Hamiltonian Learning, a novel unified framework for learning with neural networks "over time", i.e., from a possibly infinite stream of data, in an online manner, without having access to future information. Existing…

Machine Learning · Computer Science 2024-09-19 Stefano Melacci , Alessandro Betti , Michele Casoni , Tommaso Guidi , Matteo Tiezzi , Marco Gori

Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although formally understood, the complex relation between structure…

Chemical Physics · Physics 2022-09-02 Johannes Niskanen , Anton Vladyka , J. Antti Kettunen , Christoph J. Sahle

Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…

Computational Physics · Physics 2026-03-23 Yang Zhong , Xiwen Li , Xingao Gong , Hongjun Xiang

Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus…

Materials Science · Physics 2016-12-21 Ganesh Hegde , R. Chris Bowen

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

Chaos is an intriguing phenomenon that can be found in an immense variate of systems. Its detection and discrimination from its counterpart order poses an interesting challenge. To address it, we present a deep classifier capable of…

Adaptation and Self-Organizing Systems · Physics 2024-02-20 Ippocratis D. Saltas , Georgios Lukes-Gerakopoulos

Efficient characterization of quantum devices is a significant challenge critical for the development of large scale quantum computers. We consider an experimentally motivated situation, in which we have a decent estimate of the…

Quantum Physics · Physics 2021-04-12 Przemyslaw Bienias , Alireza Seif , Mohammad Hafezi

Learning quantum Hamiltonians with high precision is important for quantum physics and quantum information science. We propose a multi-stage neural network framework that significantly enhances Hamiltonian learning precision through…

Quantum Physics · Physics 2025-03-11 Zhengjie Kang , Hao Li , Shuo Wang , Jiaojiao Li , Yuanjie Zhang , Zhihuang Luo