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Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

This paper investigates the problem of data-driven modeling of port-Hamiltonian systems while preserving their intrinsic Hamiltonian structure and stability properties. We propose a novel neural-network-based port-Hamiltonian modeling…

Systems and Control · Electrical Eng. & Systems 2026-04-16 Binh Nguyen , Nam T. Nguyen , Truong X. Nghiem

We present a numerical approach for approximating unknown Hamiltonian systems using observation data. A distinct feature of the proposed method is that it is structure-preserving, in the sense that it enforces conservation of the…

Numerical Analysis · Mathematics 2021-07-13 Kailiang Wu , Tong Qin , Dongbin Xiu

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

We study the problem of certifying local Hamiltonians from real-time access to their dynamics. Given oracle access to $e^{-itH}$ for an unknown $k$-local Hamiltonian $H$ and a fully specified target Hamiltonian $H_0$, the goal is to decide…

Quantum Physics · Physics 2025-12-11 Junseo Lee , Myeongjin Shin

We consider the problem of learning the Hamiltonian of a quantum system from estimates of Gibbs-state expectation values. Various methods for achieving this task were proposed recently, both from a practical and theoretical point of view.…

Quantum Physics · Physics 2024-10-31 Adam Artymowicz , Hamza Fawzi , Omar Fawzi , Samuel O. Scalet

We formalize and study the Hamiltonian certification problem. Given access to $e^{-\mathrm{i} Ht}$ for an unknown Hamiltonian $H$, the goal of the problem is to determine whether $H$ is $\varepsilon_1$-close to or $\varepsilon_2$-far from a…

Quantum Physics · Physics 2026-05-07 Minbo Gao , Zhengfeng Ji , Qisheng Wang , Wenjun Yu , Qi Zhao

Many important physical systems can be described as the evolution of a Hamiltonian system, which has the important property of being conservative, that is, energy is conserved throughout the evolution. Physics Informed Neural Networks and…

Machine Learning · Computer Science 2025-12-10 Harsh Choudhary , Chandan Gupta , Vyacheslav Kungurtsev , Melvin Leok , Georgios Korpas

Learning the structure of the entanglement Hamiltonian (EH) is central to characterizing quantum many-body states in analog quantum simulation. We describe a protocol where spatial deformations of the many-body Hamiltonian, physically…

We introduce a generalizable framework for learning to identify effective Hamiltonians directly from experimental data in solid-state quantum systems. Our approach is based on a physics-informed neural network architecture that embeds…

Mesoscale and Nanoscale Physics · Physics 2026-03-04 Jarosław Pawłowski , Mateusz Krawczyk

We build upon recent work on using Machine Learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning where the…

Quantum Physics · Physics 2025-02-17 Kris Tucker , Amit Kiran Rege , Conor Smith , Claire Monteleoni , Tameem Albash

We investigate the problem of determining the Hamiltonian of a locally interacting open-quantum system. To do so, we construct model estimators based on inverting a set of stationary, or dynamical, Heisenberg-Langevin equations of motion…

Quantum Physics · Physics 2020-08-19 Eugene F. Dumitrescu , Pavel Lougovski

Learning the unknown Hamiltonian governing the dynamics of a quantum many-body system is a challenging task. In this manuscript, we propose a possible strategy based on repeated measurements on a single time-dependent state. We prove that…

Quantum Physics · Physics 2023-01-27 Davide Rattacaso , Gianluca Passarelli , Procolo Lucignano

Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a…

Quantum Physics · Physics 2026-01-21 Antonio Guerra , Daniel Uzcategui-Contreras , Aldo Delgado , Esteban S. Gómez

Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of…

Chemical Physics · Physics 2025-12-09 Manasa Kaniselvan , Benjamin Kurt Miller , Meng Gao , Juno Nam , Daniel S. Levine

Characterizing noisy quantum devices requires methods for learning the underlying quantum Hamiltonian which governs their dynamics. Often, such methods compare measurements to simulations of candidate Hamiltonians, a task which requires…

Quantum Physics · Physics 2021-10-13 Assaf Zubida , Elad Yitzhaki , Netanel H. Lindner , Eyal Bairey

Local Hamiltonians arise naturally in physical systems. Despite its seemingly `simple' local structure, exotic features such as nonlocal correlations and topological orders exhibit in eigenstates of these systems. Previous studies for…

Quantum Physics · Physics 2020-10-30 Shi-Yao Hou , Ningping Cao , Sirui Lu , Yi Shen , Yiu-Tung Poon , Bei Zeng

We study the problem of simulating the time evolution of a lattice Hamiltonian, where the qubits are laid out on a lattice and the Hamiltonian only includes geometrically local interactions (i.e., a qubit may only interact with qubits in…

Quantum Physics · Physics 2021-08-24 Jeongwan Haah , Matthew B. Hastings , Robin Kothari , Guang Hao Low

The solution of problems in physics is often facilitated by a change of variables. In this work we present neural transformations to learn symmetries of Hamiltonian mechanical systems. Maintaining the Hamiltonian structure requires novel…

Computational Physics · Physics 2019-06-12 Roberto Bondesan , Austen Lamacraft

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , David Sondak , Pavlos Protopapas , Stephen Roberts