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A method for learning Hamiltonian dynamics from a limited and noisy dataset is proposed. The method learns a Hamiltonian vector field on a reproducing kernel Hilbert space (RKHS) of inherently Hamiltonian vector fields, and in particular,…

Machine Learning · Computer Science 2024-11-05 Torbjørn Smith , Olav Egeland

We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…

Chemical Physics · Physics 2021-08-03 Prachi Gupta , Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

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

Recently, Hamiltonian neural networks (HNN) have been introduced to incorporate prior physical knowledge when learning the dynamical equations of Hamiltonian systems. Hereby, the symplectic system structure is preserved despite the…

Machine Learning · Computer Science 2023-06-07 Eva Dierkes , Christian Offen , Sina Ober-Blöbaum , Kathrin Flaßkamp

Evaluating whether data streams are drawn from the same distribution is at the heart of various machine learning problems. This is particularly relevant for data generated by dynamical systems since such systems are essential for many…

We present a new machine learning technique which calculates a real-valued, time independent, finite dimensional Hamiltonian matrix from only experimental data. A novel cost function is given along with a proof that the cost function has…

Quantum Physics · Physics 2019-12-02 Jordan Burns , David Maughan , Yih Sung

Data-driven control algorithms use observations of system dynamics to construct an implicit model for the purpose of control. However, in practice, data-driven techniques often require excessive sample sizes, which may be infeasible in…

Systems and Control · Electrical Eng. & Systems 2023-01-10 Adam J. Thorpe , Cyrus Neary , Franck Djeumou , Meeko M. K. Oishi , Ufuk Topcu

The physics of a closed quantum mechanical system is governed by its Hamiltonian. However, in most practical situations, this Hamiltonian is not precisely known, and ultimately all there is are data obtained from measurements on the system.…

Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. A simple and interpretable way to learn a dynamical system from data is to interpolate…

Machine Learning · Statistics 2023-02-28 Lu Yang , Xiuwen Sun , Boumediene Hamzi , Houman Owhadi , Naiming Xie

This work focuses on learning non-canonical Hamiltonian dynamics from data, where long-term predictions require the preservation of structure both in the learned model and in numerical schemes. Previous research focused on either facet,…

Machine Learning · Computer Science 2025-10-03 Clémentine Courtès , Emmanuel Franck , Michael Kraus , Laurent Navoret , Léopold Trémant

We present a Hamiltonian approach for the wellknown Eigen model of the Darwin selection dynamics. Hamiltonization is carried out by means of the embedding of the population variable space, describing behavior of the system, into the space…

Biological Physics · Physics 2009-10-30 A. V. Shapovalov , E. V. Evdokimov

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

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

With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…

Quantum Physics · Physics 2023-07-05 Wenjun Yu , Jinzhao Sun , Zeyao Han , Xiao Yuan

The Hamiltonian of an isolated quantum mechanical system determines its dynamics and physical behaviour. This study investigates the possibility of learning and utilising a system's Hamiltonian and its variational thermal state estimation…

Quantum Physics · Physics 2023-12-22 Jack Y. Araz , Michael Spannowsky

Hamiltonian mechanics is one of the cornerstones of natural sciences. Recently there has been significant interest in learning Hamiltonian systems in a free-form way directly from trajectory data. Previous methods have tackled the problem…

Machine Learning · Statistics 2023-03-06 Magnus Ross , Markus Heinonen

This work proposes a Stochastic Variational Deep Kernel Learning method for the data-driven discovery of low-dimensional dynamical models from high-dimensional noisy data. The framework is composed of an encoder that compresses…

Machine Learning · Computer Science 2023-06-28 Nicolò Botteghi , Mengwu Guo , Christoph Brune

We introduce a novel kernel-based framework for learning differential equations and their solution maps that is efficient in data requirements, in terms of solution examples and amount of measurements from each example, and computational…

Machine Learning · Statistics 2025-04-07 Yasamin Jalalian , Juan Felipe Osorio Ramirez , Alexander Hsu , Bamdad Hosseini , Houman Owhadi

Conventional physics-based modeling techniques involve high effort, e.g., time and expert knowledge, while data-driven methods often lack interpretability, structure, and sometimes reliability. To mitigate this, we present a data-driven…

Dynamical Systems · Mathematics 2024-08-19 Johannes Rettberg , Jonas Kneifl , Julius Herb , Patrick Buchfink , Jörg Fehr , Bernard Haasdonk

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