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Neural networks are complex functions of both their inputs and parameters. Much prior work in deep learning theory analyzes the distribution of network outputs at a fixed a set of inputs (e.g. a training dataset) over random initializations…

Disordered Systems and Neural Networks · Physics 2025-04-08 Mike Winer , Boris Hanin

In this paper we design and use two Deep Learning models to generate the ground and excited wavefunctions of different Hamiltonians suitable for the study the vibrations of molecular systems. The generated neural networks are trained with…

Chemical Physics · Physics 2021-11-24 Laia Domingo , Florentino Borondo

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at…

Machine Learning · Computer Science 2021-12-06 Sam Foreman , Taku Izubuchi , Luchang Jin , Xiao-Yong Jin , James C. Osborn , Akio Tomiya

Engineering desired Hamiltonian in quantum many-body systems is essential for applications such as quantum simulation, computation and sensing. Conventional quantum Hamiltonian engineering sequences are designed using human intuition based…

Quantum Physics · Physics 2022-11-17 Pai Peng , Xiaoyang Huang , Chao Yin , Linta Joseph , Chandrasekhar Ramanathan , Paola Cappellaro

We demonstrate how deep convolutional neural networks can be trained to predict 2+1 D hydrodynamic simulation results for flow coefficients, mean-transverse-momentum and charged particle multiplicity from the initial energy density profile.…

High Energy Physics - Phenomenology · Physics 2024-04-04 H. Hirvonen , K. J. Eskola , H. Niemi

Conventional neural networks are universal function approximators, but because they are unaware of underlying symmetries or physical laws, they may need impractically many training data to approximate nonlinear dynamics. Recently introduced…

Machine Learning · Computer Science 2020-10-30 Anshul Choudhary , John F. Lindner , Elliott G. Holliday , Scott T. Miller , Sudeshna Sinha , William L. Ditto

The Hamiltonian Monte Carlo method generates samples by introducing a mechanical system that explores the target density. For distributions on manifolds it is not always simple to perform the mechanics as a result of the lack of global…

Computation · Statistics 2019-04-22 Alessandro Barp , Anthony Kennedy , Mark Girolami

Symplectic integrators constructed from Hamiltonian and Lie formalisms are obtained as symplectic maps whose flow follows the exact solution of a "sourrounded" Hamiltonian K = H + h^k H_1. Those modified Hamiltonians depends virtually on…

Symplectic Geometry · Mathematics 2012-01-04 Hugo Jiménez-Pérez

Although deep convolutional neural networks (CNNs) have demonstrated remarkable performance on multiple computer vision tasks, researches on adversarial learning have shown that deep models are vulnerable to adversarial examples, which are…

Computer Vision and Pattern Recognition · Computer Science 2020-10-16 Hongjun Wang , Guanbin Li , Xiaobai Liu , Liang Lin

Efficient sampling from high-dimensional distributions is a challenging issue which is encountered in many large data recovery problems involving Markov chain Monte Carlo schemes. In this context, sampling using Hamiltonian dynamics is one…

Methodology · Statistics 2015-02-02 Lotfi Chaari , Jean-Yves Tourneret , Caroline Chaux , Hadj Batatia

Training deep neural networks (DNNs) can be difficult due to the occurrence of vanishing/exploding gradients during weight optimization. To avoid this problem, we propose a class of DNNs stemming from the time discretization of Hamiltonian…

Machine Learning · Computer Science 2021-04-28 Clara L. Galimberti , Liang Xu , Giancarlo Ferrari Trecate

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

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 study a neural network framework for the numerical evaluation of Feynman loop integrals that are fundamental building blocks for perturbative computations of physical observables in gauge and gravity theories. We show that such a machine…

High Energy Physics - Theory · Physics 2023-12-12 Ryusuke Jinno , Gregor Kälin , Zhengwen Liu , Henrique Rubira

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Fluid Dynamics · Physics 2022-05-06 Mario Lino , Stathi Fotiadis , Anil A. Bharath , Chris Cantwell

Flow map learning (FML), in conjunction with deep neural networks (DNNs), has shown promises for data driven modeling of unknown dynamical systems. A remarkable feature of FML is that it is capable of producing accurate predictive models…

Machine Learning · Computer Science 2023-07-21 Victor Churchill , Dongbin Xiu

We present a theoretical method to generate a highly accurate {\em time-independent} Hamiltonian governing the finite-time behavior of a time-periodic system. The method exploits infinitesimal unitary transformation steps, from which…

Statistical Mechanics · Physics 2019-05-30 Michael Vogl , Pontus Laurell , Aaron D. Barr , Gregory A. Fiete

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

In non-degenerate integrable Hamiltonian systems, invariant tori can be parameterized equivalently by action variables or by their fundamental frequencies. We introduce an invariant-flow formulation for extracting fundamental frequencies of…

Exactly Solvable and Integrable Systems · Physics 2025-12-22 Derong Xu , Yongjun Li , Yue Hao , Sergei Nagaitsev

Machine learning methods are widely used in the natural sciences to model and predict physical systems from observation data. Yet, they are often used as poorly understood "black boxes," disregarding existing mathematical structure and…

Machine Learning · Computer Science 2023-10-24 Marco David , Florian Méhats