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The quantum many-electron problem is not just at the heart of condensed matter phenomena, but also essential for first-principles simulation of chemical phenomena. Strong correlation in chemical systems are prevalent and present a…

Strongly Correlated Electrons · Physics 2025-09-01 Yannic Rath , Massimo Bortone , George H. Booth

The recently introduced Gaussian Process State (GPS) provides a highly flexible, compact and physically insightful representation of quantum many-body states based on ideas from the zoo of machine learning approaches. In this work, we give…

Strongly Correlated Electrons · Physics 2020-10-05 Yannic Rath , Aldo Glielmo , George H. Booth

We present a novel, non-parametric form for compactly representing entangled many-body quantum states, which we call a `Gaussian Process State'. In contrast to other approaches, we define this state explicitly in terms of a configurational…

Strongly Correlated Electrons · Physics 2020-11-11 Aldo Glielmo , Yannic Rath , Gabor Csanyi , Alessandro De Vita , George H. Booth

Gaussian states, operations, and measurements are central building blocks for continuous-variable quantum information processing which paves the way for abundant applications, especially including network-based quantum computation and…

Quantum Physics · Physics 2021-07-06 Mengzhen Zhang

Gaussian processes allow for flexible specification of prior assumptions of unknown dynamics in state space models. We present a procedure for efficient Bayesian learning in Gaussian process state space models, where the representation is…

Computation · Statistics 2016-04-18 Andreas Svensson , Arno Solin , Simo Särkkä , Thomas B. Schön

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…

Bayesian filtering is a general framework for recursively estimating the state of a dynamical system. Classical solutions such that Kalman filter and Particle filter are introduced in this report. Gaussian processes have been introduced as…

Information Theory · Computer Science 2010-11-04 Mr. Chong Han , Dr. Ido Nevat , Dr. Gareth Peters , Prof. Jinhong Yuan

State engineering of quantum objects is a central requirement in most implementations. In the cases where the quantum dynamics can be described by analytical solutions or simple approximation models, optimal state preparation protocols have…

We present a general framework for the efficient simulation of realistic fermionic systems with modern machine learning inspired representations of quantum many-body states, towards a universal tool for ab initio electronic structure. These…

Strongly Correlated Electrons · Physics 2023-05-16 Yannic Rath , George H. Booth

Gaussian Process state-space models capture complex temporal dependencies in a principled manner by placing a Gaussian Process prior on the transition function. These models have a natural interpretation as discretized stochastic…

Machine Learning · Computer Science 2022-02-24 Krista Longi , Jakob Lindinger , Olaf Duennbier , Melih Kandemir , Arto Klami , Barbara Rakitsch

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

Efficient characterization of highly entangled multi-particle systems is an outstanding challenge in quantum science. Recent developments have shown that a modest number of randomized measurements suffices to learn many properties of a…

Quantum Physics · Physics 2022-12-13 Katherine Van Kirk , Jordan Cotler , Hsin-Yuan Huang , Mikhail D. Lukin

One of the pivotal tasks in scientific machine learning is to represent underlying dynamical systems from time series data. Many methods for such dynamics learning explicitly require the derivatives of state data, which are not directly…

Machine Learning · Computer Science 2024-04-17 Dongwei Ye , Mengwu Guo

Bayesian experimental design is a technique that allows to efficiently select measurements to characterize a physical system by maximizing the expected information gain. Recent developments in deep neural networks and normalizing flows…

Quantum Physics · Physics 2023-06-27 Leopoldo Sarra , Florian Marquardt

State-space models are successfully used in many areas of science, engineering and economics to model time series and dynamical systems. We present a fully Bayesian approach to inference \emph{and learning} (i.e. state estimation and system…

Machine Learning · Statistics 2013-12-18 Roger Frigola , Fredrik Lindsten , Thomas B. Schön , Carl E. Rasmussen

We introduce the quantum Gaussian process state, motivated via a statistical inference for the wave function supported by a data set of unentangled product states. We show that this condenses down to a compact and expressive parametric…

Strongly Correlated Electrons · Physics 2022-08-01 Yannic Rath , George H. Booth

The experimental realization of increasingly complex synthetic quantum systems calls for the development of general theoretical methods, to validate and fully exploit quantum resources. Quantum-state tomography (QST) aims at reconstructing…

Disordered Systems and Neural Networks · Physics 2018-05-17 Giacomo Torlai , Guglielmo Mazzola , Juan Carrasquilla , Matthias Troyer , Roger Melko , Giuseppe Carleo

Simulating and predicting dynamics of quantum many-body systems is extremely challenging, even for state-of-the-art computational methods, due to the spread of entanglement across the system. However, in the long-wavelength limit, quantum…

Recent results have established dramatic advantages in learning properties of quantum states when a quantum computer is available to process or jointly measure multiple copies of the unknown quantum state. Learning tasks can be accomplished…

Quantum Physics · Physics 2026-05-08 Spencer Dimitroff , John Kallaugher , Ashe Miller , Mohan Sarovar

Despite rapid recent advances in quantum machine learning, the field is in many ways stuck. Existing approaches can exhibit serious limitations, and we still lack learning frameworks that are simple, interpretable, scalable, and naturally…

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