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Computing Gaussian ground states via variational optimization is challenging because the covariance matrices must satisfy the uncertainty principle, rendering constrained or Riemannian optimization costly, delicate, and thus difficult to…

Quantum Physics · Physics 2026-01-29 Christopher Willby , Tomohiro Hashizume , Jason Crain , Dieter Jaksch

A local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk materials, and molecules at surfaces. The…

Computational Physics · Physics 2019-09-11 Estefanía Garijo del Río , Jens Jørgen Mortensen , Karsten W. Jacobsen

We consider the task of approximating the ground state energy of two-local quantum Hamiltonians on bounded-degree graphs. Most existing algorithms optimize the energy over the set of product states. Here we describe a family of shallow…

Quantum Physics · Physics 2022-01-05 Anurag Anshu , David Gosset , Karen J. Morenz Korol , Mehdi Soleimanifar

Bosonic Gaussian states are ubiquitous in quantum optics and condensed matter physics. While they are efficiently handled within the Gaussian formalism, sampling requires calculating amplitudes in the boson occupation basis. This step,…

Quantum Physics · Physics 2026-05-12 Tong Liu , Hui-Ke Jin , Tao Xiang , Hong-Hao Tu

A central challenge in quantum simulation is to prepare low-energy states of strongly interacting many-body systems. In this work, we study the problem of preparing a quantum state that optimizes a random all-to-all, sparse or dense, spin…

Quantum Physics · Physics 2024-11-06 Joao Basso , Chi-Fang Chen , Alexander M. Dalzell

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

We investigate the action of local unitary operations on multimode (pure or mixed) Gaussian states and single out the minimal number of locally invariant parametres which completely characterise the covariance matrix of such states. For…

Quantum Physics · Physics 2007-07-10 Alessio Serafini , Gerardo Adesso

Gaussian variational approximation is a popular methodology to approximate posterior distributions in Bayesian inference especially in high dimensional and large data settings. To control the computational cost while being able to capture…

Machine Learning · Computer Science 2021-04-07 Bingxin Zhou , Junbin Gao , Minh-Ngoc Tran , Richard Gerlach

We present a new class of stochastic, geometrically-driven optimization algorithms on the orthogonal group $O(d)$ and naturally reductive homogeneous manifolds obtained from the action of the rotation group $SO(d)$. We theoretically and…

We use a rank one Gaussian perturbation to derive a smooth stochastic approximation of the maximum eigenvalue function. We then combine this smoothing result with an optimal smooth stochastic optimization algorithm to produce an efficient…

Optimization and Control · Mathematics 2014-03-05 Alexandre d'Aspremont , Noureddine El Karoui

We present a conjugate-gradient method for the ground-state optimization of projected entangled-pair states (PEPS) in the thermodynamic limit, as a direct implementation of the variational principle within the PEPS manifold. Our…

Strongly Correlated Electrons · Physics 2016-11-08 Laurens Vanderstraeten , Jutho Haegeman , Philippe Corboz , Frank Verstraete

Topology optimization (TO) provides a principled mathematical approach for optimizing the performance of a structure by designing its material spatial distribution in a pre-defined domain and subject to a set of constraints. The majority of…

Machine Learning · Computer Science 2024-08-08 Amin Yousefpour , Shirin Hosseinmardi , Carlos Mora , Ramin Bostanabad

We propose an algorithm to approximate solutions of global optimization problems in Sobolev spaces that follows the spirit of Consensus-based algorithms in finite dimensions. The main ingredient are Gaussian processes. In fact, we exploit…

Optimization and Control · Mathematics 2026-03-17 Mahmoud Khatab , Claudia Totzeck

The exploration of tomography of bosonic Gaussian states is presumably as old as quantum optics, but only recently, their precise and rigorous study have been moving into the focus of attention, motivated by technological developments. In…

Quantum Physics · Physics 2025-08-22 Lennart Bittel , Francesco A. Mele , Jens Eisert , Antonio A. Mele

We present an operational procedure to transform global symmetries into local symmetries at the level of individual quantum states, as opposed to typical gauging prescriptions for Hamiltonians or Lagrangians. We then construct a compatible…

Quantum Physics · Physics 2015-03-05 Jutho Haegeman , Karel Van Acoleyen , Norbert Schuch , J. Ignacio Cirac , Frank Verstraete

We propose efficient algorithms for classically simulating Gaussian unitaries and measurements applied to non-Gaussian initial states. The constructions are based on decomposing the non-Gaussian states into linear combinations of Gaussian…

Quantum Physics · Physics 2026-02-26 Oliver Hahn , Ryuji Takagi , Giulia Ferrini , Hayata Yamasaki

Local Hamiltonians with topological quantum order exhibit highly entangled ground states that cannot be prepared by shallow quantum circuits. Here, we show that this property may extend to all low-energy states in the presence of an on-site…

Quantum Physics · Physics 2020-12-25 Sergey Bravyi , Alexander Kliesch , Robert Koenig , Eugene Tang

We design two variational algorithms to optimize specific 2-local Hamiltonians defined on graphs. Our algorithms are inspired by the Quantum Approximate Optimization Algorithm. We develop formulae to analyze the energy achieved by these…

Quantum Physics · Physics 2024-12-20 Kunal Marwaha , Adrian She , James Sud

A stochastic-gradient-based interior-point algorithm for minimizing a continuously differentiable objective function (that may be nonconvex) subject to bound constraints is presented, analyzed, and demonstrated through experimental results.…

Optimization and Control · Mathematics 2024-03-15 Frank E. Curtis , Vyacheslav Kungurtsev , Daniel P. Robinson , Qi Wang

A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…

Quantum Physics · Physics 2024-07-08 Matan Ben Dov , David Shnaiderov , Adi Makmal , Emanuele G. Dalla Torre
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