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This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial properties of atomic-scale structures. We focus on Gaussian…

Chemical Physics · Physics 2019-04-04 Andrea Grisafi , David M. Wilkins , Michael J. Willatt , Michele Ceriotti

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

We discuss Hamiltonian learning in quantum field theories as a protocol for systematically extracting the operator content and coupling constants of effective field theory Hamiltonians from experimental data. Learning the Hamiltonian for…

Machine learning has recently been applied and deployed at several light source facilities in the domain of Accelerator Physics. We introduce an approach based on machine learning to produce a fast-executing model that predicts the…

Accelerator Physics · Physics 2022-01-19 Ryan Sheppard , Cameron Baribeau , Tor Pedersen , Mark Boland , Drew Bertwistle

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

The phase transition of the two-dimensional $U(1)$ quantum link model on the triangular lattice is investigated by employing a supervised neural network (NN) consisting of only one input layer, one hidden layer of two neurons, and one…

High Energy Physics - Lattice · Physics 2023-08-23 Jhao-Hong Peng , Yuan-Heng Tseng , Fu-Jiun Jiang

Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian…

Machine Learning · Computer Science 2019-10-15 Ibai Roman , Roberto Santana , Alexander Mendiburu , Jose A. Lozano

Neural network approaches to approximate the ground state of quantum hamiltonians require the numerical solution of a highly nonlinear optimization problem. We introduce a statistical learning approach that makes the optimization trivial by…

Quantum Physics · Physics 2023-08-30 Clemens Giuliani , Filippo Vicentini , Riccardo Rossi , Giuseppe Carleo

Generalising well in supervised learning tasks relies on correctly extrapolating the training data to a large region of the input space. One way to achieve this is to constrain the predictions to be invariant to transformations on the input…

Machine Learning · Computer Science 2018-08-17 Mark van der Wilk , Matthias Bauer , ST John , James Hensman

We build upon recent work on using Machine Learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning where the…

Quantum Physics · Physics 2025-02-17 Kris Tucker , Amit Kiran Rege , Conor Smith , Claire Monteleoni , Tameem Albash

We show that, contrary to popular assumptions, predictions from machine learning potentials built upon high-dimensional atom-density representations almost exclusively occur in regions of the representation space which lie outside the…

Computational Physics · Physics 2022-04-25 Claudio Zeni , Andrea Anelli , Aldo Glielmo , Kevin Rossi

Statistical physics approaches can be used to derive accurate predictions for the performance of inference methods learning from potentially noisy data, as quantified by the learning curve defined as the average error versus number of…

Machine Learning · Statistics 2012-11-07 Matthew J. Urry , Peter Sollich

Electromagnetic multipole expansion theory underpins nanoscale light-matter interactions, particularly within subwavelength meta-atoms, paving the way for diverse and captivating optical phenomena. While conventionally brute force…

This paper presents a two-phase method for learning interaction kernels of stochastic many-particle systems. After transforming stochastic trajectories of every particle into the particle density function by the kernel density estimation…

Computational Physics · Physics 2025-01-03 Yangxuan Shi , Wuyue Yang , Liu Hong

The application of Gaussian processes (GPs) to large data sets is limited due to heavy memory and computational requirements. A variety of methods has been proposed to enable scalability, one of which is to exploit structure in the kernel…

Machine Learning · Computer Science 2019-12-30 Jan Graßhoff , Alexandra Jankowski , Philipp Rostalski

Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another…

Disordered Systems and Neural Networks · Physics 2019-12-30 Tomi Ohtsuki , Tomohiro Mano

We study how a machine based on deep learning algorithms learns Krylov spread complexity in quantum systems with N x N random Hamiltonians drawn from the Gaussian unitary ensemble. Using thermofield double states as initial conditions, we…

Quantum Physics · Physics 2025-11-19 Dongsu Bak , Su-Hyeong Kim , Sangnam Park , Jeong-Pil Song

Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

Here we will give a perspective on new possible interplays between Machine Learning and Quantum Physics, including also practical cases and applications. We will explore the ways in which machine learning could benefit from new quantum…

Quantum Physics · Physics 2021-08-24 Lorenzo Buffoni , Filippo Caruso

Gaussian processes are widely known for their ability to provide probabilistic predictions in supervised machine learning models. Their non-parametric nature and flexibility make them particularly effective for regression tasks. However,…