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We study the problem of learning the Hamiltonian of a quantum many-body system given samples from its Gibbs (thermal) state. The classical analog of this problem, known as learning graphical models or Boltzmann machines, is a well-studied…

Quantum Physics · Physics 2021-05-26 Anurag Anshu , Srinivasan Arunachalam , Tomotaka Kuwahara , Mehdi Soleimanifar

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

In this paper, we propose a machine learning model, which dynamically changes the features during training. Our main motivation is to update the model in a small content during the training process with replacing less descriptive features…

Machine Learning · Computer Science 2020-02-24 Marcell Beregi-Kovács , Ágnes Baran , András Hajdu

As the size of quantum devices continues to grow, the development of scalable methods to characterise and diagnose noise is becoming an increasingly important problem. Recent methods have shown how to efficiently estimate Hamiltonians in…

Quantum Physics · Physics 2019-12-18 Tim J. Evans , Robin Harper , Steven T. Flammia

Machine learning plays an increasingly important role in computational chemistry and materials science, complementing computationally intensive ab initio and first-principles methods. Despite their utility, machine-learning models often…

Chemical Physics · Physics 2025-05-06 Makoto Takamoto , Viktor Zaverkin , Mathias Niepert

Reconstructing the Hamiltonian of a quantum system is an essential task for characterizing and certifying quantum processors and simulators. Existing techniques either rely on projective measurements of the system before and after coherent…

The characterization of quantum correlations in many-body systems is instrumental to understanding the nature of emergent phenomena in quantum materials. The correlation entropy serves as a key metric for assessing the complexity of a…

Strongly Correlated Electrons · Physics 2025-11-10 Faluke Aikebaier , Teemu Ojanen , Jose L. Lado

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et…

We provide a novel approach for characterization of quantum Hamiltonian systems via utilizing a single measurement device. Specifically, we demonstrate how external quantum correlations can be used for Hamiltonian identification tasks. We…

Quantum Physics · Physics 2008-04-23 M. Mohseni , A. T. Rezakhani , A. Aspuru-Guzik

Learning the Hamiltonian underlying a quantum many-body system in thermal equilibrium is a fundamental task in quantum learning theory and experimental sciences. To learn the Gibbs state of local Hamiltonians at any inverse temperature…

Quantum Physics · Physics 2025-04-04 Chi-Fang Chen , Anurag Anshu , Quynh T. Nguyen

Although deep learning has produced dazzling successes for applications of image, speech, and video processing in the past few years, most trainings are with suboptimal hyper-parameters, requiring unnecessarily long training times. Setting…

Machine Learning · Computer Science 2018-04-25 Leslie N. Smith

We consider the problems of testing and learning an unknown $n$-qubit Hamiltonian $H$ from queries to its evolution operator $e^{-iHt}$ under the normalized Frobenius norm. We prove: 1. Local Hamiltonians: We give a tolerant testing…

Quantum Physics · Physics 2025-06-09 Srinivasan Arunachalam , Arkopal Dutt , Francisco Escudero Gutiérrez

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

We study the problem of learning a $k$-body Hamiltonian with $M$ unknown Pauli terms that are not necessarily geometrically local. We propose a protocol that learns the Hamiltonian to precision $\epsilon$ with total evolution time…

Quantum Physics · Physics 2024-12-13 Muzhou Ma , Steven T. Flammia , John Preskill , Yu Tong

Schr\"odinger's equation serves as a fundamental component in characterizing quantum systems, wherein both quantum state tomography and Hamiltonian learning are instrumental in comprehending and interpreting quantum systems. While numerous…

Quantum Physics · Physics 2024-01-25 Zheng An , Jiahui Wu , Muchun Yang , D. L. Zhou , Bei Zeng

Drawing the quantum phase diagram of a many-body system in the parameter space of its Hamiltonian can be seen as a learning problem, which implies labelling the corresponding ground states according to some classification criterium that…

Quantum Physics · Physics 2025-10-17 Mehran Khosrojerdi , Alessandro Cuccoli , Paola Verrucchi , Leonardo Banchi

We train convolutional neural networks to predict whether or not a set of measurements is informationally complete to uniquely reconstruct any given quantum state with no prior information. In addition, we perform fidelity benchmarking…

Estimating parameters of quantum systems is usually done by performing a sequence of predetermined experiments and post-processing the resulting data. It is known that online design, where the choice of the next experiment is based on the…

Quantum Physics · Physics 2018-06-08 Ian Hincks , Thomas Alexander , Michal Kononenko , Benjamin Soloway , David G. Cory

Quantum simulators with hundreds of qubits and engineerable Hamiltonians have the potential to explore quantum many-body models that are intractable for classical computers. However, learning the simulated Hamiltonian, a prerequisite for…

Using Bayesian experimental design techniques, we have shown that for a single two-level quantum mechanical system under strong (projective) measurement, the dynamical parameters of a model Hamiltonian can be estimated with exponentially…

Quantum Physics · Physics 2012-06-05 Christopher Ferrie , Christopher E. Granade , D. G. Cory