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Deep learning methods for electronic-structure Hamiltonian prediction has offered significant computational efficiency advantages over traditional DFT methods, yet the diversity of atomic types, structural patterns, and the high-dimensional…

Machine Learning · Computer Science 2026-03-03 Shi Yin , Zujian Dai , Xinyang Pan , Lixin He

In this paper, we develop a neural network-based approach for time-series prediction in unknown Hamiltonian dynamical systems. Our approach leverages a surrogate model and learns the system dynamics using generalized coordinates (positions)…

Machine Learning · Computer Science 2025-02-03 Taehyeun Kim , Tae-Geun Kim , Anouck Girard , Ilya Kolmanovsky

Neural networks are discrete entities: subdivided into discrete layers and parametrized by weights which are iteratively optimized via difference equations. Recent work proposes networks with layer outputs which are no longer quantized but…

Neural and Evolutionary Computing · Computer Science 2019-09-09 Stefano Massaroli , Michael Poli , Federico Califano , Angela Faragasso , Jinkyoo Park , Atsushi Yamashita , Hajime Asama

The required precision to perform quantum simulations beyond the capabilities of classical computers imposes major experimental and theoretical challenges. The key to solving these issues are precise means of characterizing analog quantum…

Quantum Physics · Physics 2024-11-11 Dominik Hangleiter , Ingo Roth , Jonas Fuksa , Jens Eisert , Pedram Roushan

We propose a versatile and efficient algorithmic framework for optimizing fermion-to-qubit mappings by generalizing the idea of randomized block coordinate descent. Our greedy approach, termed Randomized Subsystem Descent, iteratively…

Quantum Physics · Physics 2026-04-21 Gengzhi Yang , Di Wu , Haizhao Yang , Xiaodi Wu , Ji Liu

This paper presents a structure-preserving Bayesian approach for learning nonseparable Hamiltonian systems using stochastic dynamic models allowing for statistically-dependent, vector-valued additive and multiplicative measurement noise.…

Machine Learning · Statistics 2024-07-23 Nicholas Galioto , Harsh Sharma , Boris Kramer , Alex Arkady Gorodetsky

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

We propose a multi-level method to increase the accuracy of machine learning algorithms for approximating observables in scientific computing, particularly those that arise in systems modeled by differential equations. The algorithm relies…

Numerical Analysis · Mathematics 2020-07-06 Kjetil O. Lye , Siddhartha Mishra , Roberto Molinaro

Phase estimation is a quantum algorithm for measuring the eigenvalues of a Hamiltonian. We propose and rigorously analyse a randomized phase estimation algorithm with two distinctive features. First, our algorithm has complexity independent…

Quantum Physics · Physics 2022-08-09 Kianna Wan , Mario Berta , Earl T. Campbell

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo

In the last few years, quantum computing and machine learning fostered rapid developments in their respective areas of application, introducing new perspectives on how information processing systems can be realized and programmed. The…

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic…

Mesoscale and Nanoscale Physics · Physics 2024-01-23 Maryam Khosravian , Rouven Koch , Jose L. Lado

Quantum machine learning offers a promising advantage in extracting information about quantum states, e.g. phase diagram. However, access to training labels is a major bottleneck for any supervised approach, preventing getting insights…

Quantum Physics · Physics 2023-02-13 Saverio Monaco , Oriel Kiss , Antonio Mandarino , Sofia Vallecorsa , Michele Grossi

Precise identification of parameters governing quantum processes is a critical task for quantum information and communication technologies. In this work we consider a setting where system evolution is determined by a parameterized…

Quantum Physics · Physics 2014-08-27 Jun Zhang , Mohan Sarovar

The preparation of the ground state of a Hamiltonian $H$ with a large spectral radius has applications in many areas such as electronic structure theory and quantum field theory. Given an initial state with a constant overlap with the…

Quantum Physics · Physics 2024-06-05 Yulong Dong , Lin Lin

In this article, we introduce a framework for Hamiltonian tomography of multi-qubit systems with random noise. We adopt the quantum quench protocol to reconstruct a many-body Hamiltonian by local measurements that are distorted by random…

Quantum Physics · Physics 2021-11-30 Artur Czerwinski

An observer-based Hamiltonian identification algorithm for quantum systems is proposed. For the 2-level case an exponential convergence result based on averaging arguments and some relevant transformations is provided. The convergence for…

Mathematical Physics · Physics 2007-05-23 Mazyar Mirrahimi , Pierre Rouchon

Recently, variational quantum metrology was proposed for Hamiltonians with multiplicative parameters, wherein the estimation precision can be optimized via variational circuits. However, systems with generic Hamiltonians still lack these…

Quantum Physics · Physics 2023-09-25 Le Bin Ho

Accurately estimating parameters in complex nonlinear systems is crucial across scientific and engineering fields. We present a novel approach for parameter estimation using a neural network with the Huber loss function. This method taps…

Machine Learning · Computer Science 2023-08-25 Kaushal Kumar
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