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Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Quantum computing has long promised transformative advances in data analysis, yet practical quantum machine learning has remained elusive due to fundamental obstacles such as a steep quantum cost for the loading of classical data and poor…

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

Determining the Hamiltonian of a quantum system is essential for understanding its dynamics and validating its behavior. Hamiltonian learning provides a data-driven approach to reconstruct the generator of the dynamics from measurements on…

Hamiltonian dynamics describe a wide range of physical systems. As such, data-driven simulations of Hamiltonian systems are important for many scientific and engineering problems. In this work, we propose kernel-based methods for…

Numerical Analysis · Mathematics 2025-09-23 Yasamin Jalalian , Mostafa Samir , Boumediene Hamzi , Peyman Tavallali , Houman Owhadi

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

Quantum machine learning (QML) is a discipline that seeks to transfer the advantages of quantum computing to data-driven tasks. However, many studies rely on toy datasets or heavy feature reduction, raising concerns about their scalability.…

Quantum Physics · Physics 2025-04-16 Federico Tiblias , Anna Schroeder , Yue Zhang , Mariami Gachechiladze , Iryna Gurevych

The characterization of Hamiltonians and other components of open quantum dynamical systems plays a crucial role in quantum computing and other applications. Scientific machine learning techniques have been applied to this problem in a…

Quantum Physics · Physics 2026-04-07 Peter Sentz , Stanley Nicholson , Yujin Cho , Sohail Reddy , Brendan Keith , Stefanie Günther

We present a framework for learning Hamiltonian systems using data. This work is based on a lifting hypothesis, which posits that nonlinear Hamiltonian systems can be written as nonlinear systems with cubic Hamiltonians. By leveraging this,…

Machine Learning · Computer Science 2024-02-09 Süleyman Yildiz , Pawan Goyal , Thomas Bendokat , Peter Benner

We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are…

Quantum Physics · Physics 2011-11-03 Nathan Wiebe , Dominic W. Berry , Peter Hoyer , Barry C. Sanders

Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…

Quantum Physics · Physics 2026-03-10 Benjamin Mokhtar , Noboru Inoue , Takashi Tsuchimochi

Abstract Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is the quantity of available training data, which can be…

Computational Physics · Physics 2020-06-11 Justin S. Smith , Nicholas Lubbers , Aidan P. Thompson , Kipton Barros

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the…

Quantum Physics · Physics 2021-06-22 Amir Kalev , Itay Hen

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

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

Value function based reinforcement learning (RL) algorithms, for example, $Q$-learning, learn optimal policies from datasets of actions, rewards, and state transitions. However, when the underlying state transition dynamics are stochastic…

Machine Learning · Computer Science 2022-03-29 Udari Madhushani , Biswadip Dey , Naomi Ehrich Leonard , Amit Chakraborty

Data-driven prediction in quantum mechanics consists in providing an approximative description of the motion of any particles at any given time, from data that have been previously collected for a certain number of particles under the…

Analysis of PDEs · Mathematics 2023-02-22 Pedro Caro , Alberto Ruiz

We obtain correction terms for the standard Hamiltonian of 2 transmons driven by microwaves in cross resonance. Data is obtained from a real transmon system, namely ibm kyiv on the IBM quantum platform. Various data points obtained…

Quantum Physics · Physics 2025-05-06 John GeorgeFrancis , Dr Anil Shaji

Recent advancements in quantum hardware and classical computing simulations have significantly enhanced the accessibility of quantum system data, leading to an increased demand for precise descriptions and predictions of these systems.…

Quantum Physics · Physics 2025-03-31 Zheng An , Jiahui Wu , Zidong Lin , Xiaobo Yang , Keren Li , Bei Zeng

In this work we combine two distinct machine learning methodologies, sequential Monte Carlo and Bayesian experimental design, and apply them to the problem of inferring the dynamical parameters of a quantum system. We design the algorithm…

Quantum Physics · Physics 2012-10-10 Christopher E. Granade , Christopher Ferrie , Nathan Wiebe , D. G. Cory
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