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We develop a novel data-driven approach to the inverse problem of classical statistical mechanics: given experimental data on the collective motion of a classical many-body system, how does one characterise the free energy landscape of that…

Statistical Mechanics · Physics 2022-03-01 Peter Yatsyshin , Serafim Kalliadasis , Andrew B. Duncan

We introduce an unsupervised machine-learning framework that discovers optimally compressed representations of quantum many-body ground states. Using an autoencoder neural network architecture on data from $L$-site Fermi-Hubbard models, we…

Quantum Physics · Physics 2025-12-15 Felix Frohnert , Emiel Koridon , Stefano Polla

Gaussian graphical models are widely used to infer dependence structures. Bayesian methods are appealing to quantify uncertainty associated with structural learning, i.e., the plausibility of conditional independence statements given the…

Methodology · Statistics 2025-11-05 Deborah Sulem , Jack Jewson , David Rossell

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

In this paper we focus on a type of inverse problem in which the data is expressed as an unknown function of the sought and unknown model function (or its discretised representation as a model parameter vector). In particular, we deal with…

Applications · Statistics 2019-08-19 Dalia Chakrabarty , Prasenjit Saha

We propose a highly data-efficient active learning framework for image classification. Our novel framework combines: (1) unsupervised representation learning of a Convolutional Neural Network and (2) the Gaussian Process (GP) method, in…

Computer Vision and Pattern Recognition · Computer Science 2022-06-22 Heng Hao , Hankyu Moon , Sima Didari , Jae Oh Woo , Patrick Bangert

We present a novel computational approach for extracting weak signals, whose exact location and width may be unknown, from complex background distributions with an arbitrary functional form. We focus on datasets that can be naturally…

High Energy Physics - Experiment · Physics 2023-03-22 Abhijith Gandrakota , Amitabh Lath , Alexandre V. Morozov , Sindhu Murthy

We investigate the number probability density function that characterizes sub-portions of a quantum many-body system with globally conserved number of particles. We put forward a linear fitting protocol capable of mapping out the…

Quantum Gases · Physics 2023-03-15 Daniele Contessi , Alessio Recati , Matteo Rizzi

Constructing a classical potential suited to simulate a given atomic system is a remarkably difficult task. This chapter presents a framework under which this problem can be tackled, based on the Bayesian construction of nonparametric force…

Computational Physics · Physics 2020-07-01 Aldo Glielmo , Claudio Zeni , Ádám Fekete , Alessandro De Vita

Bayesian learning using Gaussian processes provides a foundational framework for making decisions in a manner that balances what is known with what could be learned by gathering data. In this dissertation, we develop techniques for…

Machine Learning · Statistics 2022-04-29 Alexander Terenin

We propose a nonparametric procedure to achieve fast inference in generative graphical models when the number of latent states is very large. The approach is based on iterative latent variable preselection, where we alternate between…

Machine Learning · Statistics 2021-10-06 Jacquelyn A. Shelton , Jan Gasthaus , Zhenwen Dai , Joerg Luecke , Arthur Gretton

The Gaussian process state-space model (GPSSM) has attracted extensive attention for modeling complex nonlinear dynamical systems. However, the existing GPSSM employs separate Gaussian processes (GPs) for each latent state dimension,…

Machine Learning · Computer Science 2023-09-06 Zhidi Lin , Juan Maroñas , Ying Li , Feng Yin , Sergios Theodoridis

A key challenge with controlling complex dynamical systems is to accurately model them. However, this requirement is very hard to satisfy in practice. Data-driven approaches such as Gaussian processes (GPs) have proved quite effective by…

Robotics · Computer Science 2022-03-08 Mouhyemen Khan , Akash Patel , Abhijit Chatterjee

Bayesian methods are increasingly being applied to parameterize mechanistic process models used in environmental prediction and forecasting. In particular, models describing ecosystem dynamics with multiple states that are linear and…

Applications · Statistics 2021-10-19 John W. Smith , Leah R. Johnson , Robert Q. Thomas

We study the problem of learning the Hamiltonian of a quantum many-body system given samples from its Gibbs (thermal) state. The classical analog of this problem, known as learning graphical models or Boltzmann machines, is a well-studied…

Quantum Physics · Physics 2021-05-26 Anurag Anshu , Srinivasan Arunachalam , Tomotaka Kuwahara , Mehdi Soleimanifar

Bayesian optimisation is a popular technique for hyperparameter learning but typically requires initial exploration even in cases where similar prior tasks have been solved. We propose to transfer information across tasks using learnt…

Machine Learning · Statistics 2019-05-28 Ho Chung Leon Law , Peilin Zhao , Lucian Chan , Junzhou Huang , Dino Sejdinovic

Quantum state tomography (QST) is the gold standard technique for obtaining an estimate for the state of small quantum systems in the laboratory. Its application to systems with more than a few constituents (e.g. particles) soon becomes…

The use of Gaussian processes (GPs) is supported by efficient sampling algorithms, a rich methodological literature, and strong theoretical grounding. However, due to their prohibitive computation and storage demands, the use of exact GPs…

Statistics Theory · Mathematics 2022-07-27 Kelly R. Moran , Matthew W. Wheeler

Finding methods for making generalizable predictions is a fundamental problem of machine learning. By looking into similarities between the prediction problem for unknown data and the lossless compression we have found an approach that…

Machine Learning · Computer Science 2020-06-24 Michael Tetelman

We present a supervised machine learning-based method using convolutional neural networks to estimate the covariance matrix of Gaussian quantum states in the presence of thermal noise. Unlike computationally intensive density matrix…

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