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We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…

Statistical Mechanics · Physics 2020-06-24 Maziar Heidari , Kurt Kremer , Ramin Golestanian , Raffaello Potestio , Robinson Cortes-Huerto

We propose and analyze a versatile and efficient multiparameter quantum sensing protocol, which simultaneously estimates many non-commuting and time-dependent signals that are coherently or incoherently coupled to sensing particles. Even in…

Quantum Physics · Physics 2026-02-02 Wenjie Gong , Bingtian Ye , Daniel Mark , Soonwon Choi

We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians. Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series…

Quantum Physics · Physics 2021-09-15 Yi-Hsiang Chen , Amir Kalev , Itay Hen

We consider a well defined joint detection and parameter estimation problem. By combining the Baysian formulation of the estimation subproblem with suitable constraints on the detection subproblem we develop optimum one- and two-step test…

Applications · Statistics 2011-01-27 George V. Moustakides , Guido H. Jajamovich , Ali Tajer , Xiaodong Wang

Optimal experimental design is a well studied field in applied science and engineering. Techniques for estimating such a design are commonly used within the framework of parameter estimation. Nonetheless, in recent years parameter…

Machine Learning · Statistics 2025-01-13 Md Shahriar Rahim Siddiqui , Arman Rahmim , Eldad Haber

We study the regimes in which Hamiltonian simulation benefits from randomization. We introduce a sparse-QSVT construction based on composite stochastic decompositions, where dominant terms are treated deterministically and smaller…

Quantum Physics · Physics 2026-04-10 Francesco Paganelli , Michele Grossi , Andrea Giachero , Thomas E. O'Brien , Oriel Kiss

Microplastics contamination is one of the most rapidly growing research topics. However, monitoring microplastics contamination in the environment presents both logistical and statistical challenges, particularly when constrained resources…

This paper proposes a new randomized strategy for adaptive MCMC using Bayesian optimization. This approach applies to non-differentiable objective functions and trades off exploration and exploitation to reduce the number of potentially…

Computation · Statistics 2011-11-01 Nimalan Mahendran , Ziyu Wang , Firas Hamze , Nando de Freitas

Large-scale quantum devices provide insights beyond the reach of classical simulations. However, for a reliable and verifiable quantum simulation, the building blocks of the quantum device require exquisite benchmarking. This benchmarking…

Quantum Physics · Physics 2022-02-16 Agnes Valenti , Guliuxin Jin , Julian Léonard , Sebastian D. Huber , Eliska Greplova

One's ability to learn a generative model of the world without supervision depends on the extent to which one can construct abstract knowledge representations that generalize across experiences. To this end, capturing an accurate…

Machine Learning · Computer Science 2021-10-28 Zahra Sheikhbahaee , Dongshu Luo , Blake VanBerlo , S. Alex Yun , Adam Safron , Jesse Hoey

Precision measurements of frequency are critical to accurate timekeeping, and are fundamentally limited by quantum measurement uncertainties. While for time-independent quantum Hamiltonians, the uncertainty of any parameter scales at best…

Quantum Physics · Physics 2017-11-08 M. Naghiloo , A. N. Jordan , K. W. Murch

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

Ever since the formulation of quantum mechanics, there is very little understanding of the process of the collapse of a wavefunction. We have proposed a dynamical model to emulate the measurement postulates of quantum mechanics. We…

Quantum Physics · Physics 2023-08-16 Gurpahul Singh , Ritesh K. Singh , Soumitro Banerjee

We consider how to characterize the dynamics of a quantum system from a restricted set of initial states and measurements using Bayesian analysis. Previous work has shown that Hamiltonian systems can be well estimated from analysis of noisy…

Quantum Physics · Physics 2014-03-04 S. G. Schirmer , D. K. L. Oi

In this work, we consider the problem of online (real-time, single-shot) estimation of static or slow-varying parameters along quantum trajectories in quantum dynamical systems. Based on the measurement signal of a continuously-monitored…

Quantum Physics · Physics 2024-06-19 Henrik Glavind Clausen , Pierre Rouchon , Rafal Wisniewski

We propose a Bayesian elastic net that uses empirical likelihood and develop an efficient tuning of Hamiltonian Monte Carlo for posterior sampling. The proposed model relaxes the assumptions on the identity of the error distribution,…

Methodology · Statistics 2022-07-20 Chul Moon , Adel Bedoui

We consider the problem of designing experiments for the estimation of a target in regression analysis if there is uncertainty about the parametric form of the regression function. A new optimality criterion is proposed, which minimizes the…

Methodology · Statistics 2018-07-17 Kira Alhorn , Kirsten Schorning , Holger Dette

The time evolution of a closed quantum system is connected to its Hamiltonian through Schroedinger's equation. The ability to estimate the Hamiltonian is critical to our understanding of quantum systems, and allows optimization of control.…

In this article, we propose a novel pessimism-based Bayesian learning method for optimal dynamic treatment regimes in the offline setting. When the coverage condition does not hold, which is common for offline data, the existing solutions…

Machine Learning · Statistics 2023-02-23 Yunzhe Zhou , Zhengling Qi , Chengchun Shi , Lexin Li

An observer-based Hamiltonian identification algorithm for quantum systems is proposed. For the 2-level case an exponential convergence result based on averaging arguments and some relevant transformations is provided. The convergence for…

Mathematical Physics · Physics 2007-05-23 Mazyar Mirrahimi , Pierre Rouchon
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