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Gaussian processes provide probabilistic surrogates for various applications including classification, uncertainty quantification, and optimization. Using a gradient-enhanced covariance matrix can be beneficial since it provides a more…

Optimization and Control · Mathematics 2023-07-13 André L. Marchildon , David W. Zingg

Contextual optimization enhances decision quality by leveraging side information to improve predictions of uncertain parameters. However, existing approaches face significant challenges when dealing with multimodal or mixtures of…

Optimization and Control · Mathematics 2025-09-19 YoungChul Yoon , Grani A. Hanasusanto , Yijie Wang

Solving the generalized eigenvalue problem is a useful method for finding energy eigenstates of large quantum systems. It uses projection onto a set of basis states which are typically not orthogonal. One needs to invert a matrix whose…

Nuclear Theory · Physics 2023-04-05 Caleb Hicks , Dean Lee

The use of Gaussian process models is typically limited to datasets with a few tens of thousands of observations due to their complexity and memory footprint. The two most commonly used methods to overcome this limitation are 1) the…

Machine Learning · Statistics 2020-01-16 Vincent Adam , Stefanos Eleftheriadis , Nicolas Durrande , Artem Artemev , James Hensman

Matrix factorization is a popular approach for large-scale matrix completion. The optimization formulation based on matrix factorization can be solved very efficiently by standard algorithms in practice. However, due to the non-convexity…

Machine Learning · Computer Science 2016-11-18 Ruoyu Sun , Zhi-Quan Luo

We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…

Strongly Correlated Electrons · Physics 2026-05-29 Michael G. Scheer

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian…

Quantum Physics · Physics 2018-03-14 Tao Shi , Eugene Demler , J. Ignacio Cirac

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian…

Machine Learning · Statistics 2019-05-10 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

Strongly coupled quantum field theories in $(1+1)$ dimensions are notoriously hard to solve non-perturbatively. Variational methods, despite their success for quantum many-body physics on the lattice, have long lacked a natural ansatz…

High Energy Physics - Theory · Physics 2026-04-14 Antoine Tilloy

In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one needs a numerical integration algorithm which is symplectic. Further, this algorithm should be fast and accurate. In this paper, we propose…

Exactly Solvable and Integrable Systems · Physics 2009-11-07 Govindan Rangarajan

We introduce Autoregressive Graphical Models (AGMs) as an Ansatz for modeling the ground states of stoquastic Hamiltonians. Exact learning of these models for smaller systems show the dominance of the pairwise terms in the autoregressive…

Methods for inference and simulation of linearly constrained Gaussian Markov Random Fields (GMRF) are computationally prohibitive when the number of constraints is large. In some cases, such as for intrinsic GMRFs, they may even be…

Methodology · Statistics 2021-06-04 David Bolin , Jonas Wallin

Optimization under the symplecticity constraint is an approach for solving various problems in quantum physics and scientific computing. Building on the results that this optimization problem can be transformed into an unconstrained problem…

Optimization and Control · Mathematics 2024-06-21 Bin Gao , Nguyen Thanh Son , Tatjana Stykel

Gaussian processes are a powerful framework for uncertainty-aware function approximation and sequential decision-making. Unfortunately, their classical formulation does not scale gracefully to large amounts of data and modern hardware for…

Machine Learning · Computer Science 2025-07-10 Jihao Andreas Lin

The continuous variable quantum computing platform constitutes a promising candidate for realizing quantum advantage, as exemplified in Gaussian Boson Sampling. While noise in the experiments makes the computation attainable for classical…

Quantum Physics · Physics 2025-08-11 Jonas Vinther , Michael James Kastoryano

We present a large deviation analysis of a recently proposed probabilistic approach to the study of the ground-state properties of lattice quantum systems. The ground-state energy, as well as the correlation functions in the ground state,…

Other Condensed Matter · Physics 2011-02-16 Massimo Ostilli , Carlo Presilla

We propose a variational framework for solving ground-state problems of open quantum systems governed by quantum stochastic differential equations (QSDEs). This formulation naturally accommodates bosonic operators, as commonly encountered…

Quantum Physics · Physics 2025-12-17 Yunyan Lee , Ian R. Petersen , Daoyi Dong

Variational inference techniques based on inducing variables provide an elegant framework for scalable posterior estimation in Gaussian process (GP) models. Besides enabling scalability, one of their main advantages over sparse…

Machine Learning · Statistics 2021-02-24 Simone Rossi , Markus Heinonen , Edwin V. Bonilla , Zheyang Shen , Maurizio Filippone

Positive semi-definite matrices commonly occur as normal matrices of least squares problems in statistics or as kernel matrices in machine learning and approximation theory. They are typically large and dense. Thus algorithms to solve…

Numerical Analysis · Mathematics 2020-12-01 Markus Hegland , Frank deHoog

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…

Quantum Physics · Physics 2020-12-16 Lin Lin , Yu Tong