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Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…

Chemical Physics · Physics 2024-04-04 Edgar Josué Landinez Borda , Kenneth O. Berard , Annette Lopez , Brenda Rubenstein

The Gaussian process (GP) is a popular way to specify dependencies between random variables in a probabilistic model. In the Bayesian framework the covariance structure can be specified using unknown hyperparameters. Integrating over these…

Computation · Statistics 2010-11-01 Iain Murray , Ryan Prescott Adams

We propose a method based on deep reinforcement learning that efficiently prepares a quantum many-body pure state in thermal or prethermal equilibrium. The main physical intuition underlying the method is that the information on the…

Quantum Physics · Physics 2023-01-30 Shotaro Z. Baba , Nobuyuki Yoshioka , Yuto Ashida , Takahiro Sagawa

We present two approximate Bayesian inference methods for parameter estimation in partial differential equation (PDE) models with space-dependent and state-dependent parameters. We demonstrate that these methods provide accurate and…

Methodology · Statistics 2019-09-04 David A. Barajas-Solano , Alexandre M. Tartakovsky

Gaussian process regression in its most simplified form assumes normal homoscedastic noise and utilizes analytically tractable mean and covariance functions of predictive posterior distribution using Gaussian conditioning. Its…

Applications · Statistics 2023-01-20 Pooja Algikar , Lamine Mili

Exposure assessment models are deterministic models derived from physical-chemical laws. In real workplace settings, chemical concentration measurements can be noisy and indirectly measured. In addition, inference on important parameters…

Applications · Statistics 2018-07-09 Nada Abdalla , Sudipto Banerjee , Gurumurthy Ramachandran , Susan Arnold

There are schemes for realizing different types of kernels by quantum states of light. It is particularly interesting to realize the Gaussian kernel due to its wider applicability. A multimode coherent state can generate the Gaussian kernel…

Quantum Physics · Physics 2024-10-01 Vivek Mehta , Utpal Roy

We propose an active learning method for discovering low-dimensional structure in high-dimensional Gaussian process (GP) tasks. Such problems are increasingly frequent and important, but have hitherto presented severe practical…

Machine Learning · Statistics 2013-10-28 Roman Garnett , Michael A. Osborne , Philipp Hennig

The complete learning of an $n$-qubit quantum state requires samples exponentially in $n$. Several works consider subclasses of quantum states that can be learned in polynomial sample complexity such as stabilizer states or high-temperature…

Quantum Physics · Physics 2023-09-19 Liming Zhao , Naixu Guo , Ming-Xing Luo , Patrick Rebentrost

We propose a compressed sensing algorithm termed variance state propagation (VSP) for block-sparse signals, i.e., sparse signals that have nonzero coefficients occurring in clusters. The VSP algorithm is developed under the Bayesian…

Signal Processing · Electrical Eng. & Systems 2020-06-24 Mingchen Zhang , Xiaojun Yuan , Zhen-Qing He

We introduce a novel adaptive Gaussian Process Regression (GPR) methodology for efficient construction of surrogate models for Bayesian inverse problems with expensive forward model evaluations. An adaptive design strategy focuses on…

Numerical Analysis · Mathematics 2024-05-01 Paolo Villani , Jörg Unger , Martin Weiser

We consider the problem of robust compressed sensing whose objective is to recover a high-dimensional sparse signal from compressed measurements corrupted by outliers. A new sparse Bayesian learning method is developed for robust compressed…

Machine Learning · Statistics 2016-10-24 Qian Wan , Huiping Duan , Jun Fang , Hongbin Li

One of the fundamental tasks of science is to find explainable relationships between observed phenomena. One approach to this task that has received attention in recent years is based on probabilistic graphical modelling with sparsity…

Machine Learning · Statistics 2014-04-16 Peter Orchard , Felix Agakov , Amos Storkey

We propose a novel approach to estimating the precision matrix of multivariate Gaussian data that relies on decomposing them into a low-rank and a diagonal component. Such decompositions are very popular for modeling large covariance…

Methodology · Statistics 2022-08-18 Noirrit Kiran Chandra , Peter Mueller , Abhra Sarkar

Recent advancements in remote sensing technology and the increasing size of satellite constellations allows massive geophysical information to be gathered daily on a global scale by numerous platforms of different fidelity. The…

Computation · Statistics 2021-05-11 Si Cheng , Bledar A. Konomi , Jessica L. Matthews , Georgios Karagiannis , Emily L. Kang

The state space (SS) representation of Gaussian processes (GP) has recently gained a lot of interest. The main reason is that it allows to compute GPs based inferences in O(n), where $n$ is the number of observations. This implementation…

Machine Learning · Computer Science 2016-01-08 Alessio Benavoli , Marco Zaffalon

Gaussian process regression is a well-established Bayesian machine learning method. We propose a new approach to Gaussian process regression using quantum kernels based on parameterized quantum circuits. By employing a hardware-efficient…

Quantum Physics · Physics 2024-02-06 Frederic Rapp , Marco Roth

Gaussian process regression is a powerful method for predicting states based on given data. It has been successfully applied for probabilistic predictions of structural systems to quantify, for example, the crack growth in mechanical…

Machine Learning · Statistics 2022-06-20 Simon Pfingstl , Markus Zimmermann

We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…

Quantum Physics · Physics 2025-08-20 Alexander Gresch , Uğur Tepe , Martin Kliesch

The Gaussian process latent variable model (GP-LVM) provides a flexible approach for non-linear dimensionality reduction that has been widely applied. However, the current approach for training GP-LVMs is based on maximum likelihood, where…

Machine Learning · Statistics 2014-09-09 Andreas C. Damianou , Michalis K. Titsias , Neil D. Lawrence