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We introduce $\pi$-Girsanov, a new method for constructing Markov state models from biased enhanced-sampling molecular dynamics simulations based on Girsanov reweighting. The key idea behind this new method is to separate the reweighting…

Biological Physics · Physics 2026-03-24 Mingyuan Zhang , Yong Wang , Bettina G. Keller , Hao Wu

Exact parameter and trajectory inference in state-space models is typically achieved by one of two methods: particle marginal Metropolis-Hastings (PMMH) or particle Gibbs (PGibbs). PMMH is a pseudo-marginal algorithm which jointly proposes…

Computation · Statistics 2025-06-03 Adrien Corenflos

Preparing thermal and ground states is an essential quantum algorithmic task for quantum simulation. In this work, we construct the first efficiently implementable and exactly detailed-balanced Lindbladian for Gibbs states of arbitrary…

Quantum Physics · Physics 2025-10-15 Chi-Fang Chen , Michael J. Kastoryano , András Gilyén

We study classical simulation of quantum computation, taking the Gottesman-Knill theorem as a starting point. We show how each Clifford circuit can be reduced to an equivalent, manifestly simulatable circuit (normal form). This provides a…

Quantum Physics · Physics 2012-02-20 M. Van den Nest

Quantum annealers are emerging as programmable, dynamical experimental platforms for probing strongly correlated spin systems. Yet key thermal assumptions, chiefly a Gibbs-distributed output ensemble, remain unverified in the large-scale…

Quantum Physics · Physics 2025-12-04 George Grattan , Pratik Sathe , Cristiano Nisoli

As the quantum computing community gravitates towards understanding the practical benefits of quantum computers, having a clear definition and evaluation scheme for assessing practical quantum advantage in the context of specific…

Machine Learning · Computer Science 2023-05-12 Kaitlin Gili , Marta Mauri , Alejandro Perdomo-Ortiz

Measurement-induced state disturbance is a major challenge in obtaining quantum statistics at multiple time points. We propose a method to extract dynamic information from a quantum system at intermediate time points, namely snapshotting…

Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been…

Quantum Physics · Physics 2021-02-22 Elizabeth Crosson , Aram W. Harrow

Quantum Gibbs state sampling algorithms generally suffer from either scaling exponentially with system size or requiring specific knowledge of spectral properties \textit{a priori}. Also, these algorithms require a large overhead of bath or…

Quantum Physics · Physics 2020-09-02 Jeffrey Cohn , Khadijeh Sona Najafi , Forest Yang , Barbara Jones , James K. Freericks

We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of…

Computational Physics · Physics 2015-12-15 Thomas Vogel , Danny Perez

Researchers train neural simulators on uniformly sampled numerical simulation data. But under the same budget, does systematically sampled data provide the most effective information? A fundamental yet unformalized problem is how to sample…

Machine Learning · Computer Science 2026-03-20 Wenshuo Wang , Fan Zhang

Warm dense matter--an exotic, highly compressed state on the boarder between solid and plasma phases is of high current interest, in particular for compact astrophysical objects, high pressure laboratory systems, and inertial confinement…

Plasma Physics · Physics 2023-02-14 C. Makait , F. Borges Fajardo , M. Bonitz

Drawing independent samples from high-dimensional probability distributions represents the major computational bottleneck for modern algorithms, including powerful machine learning frameworks such as deep learning. The quest for discovering…

Quantum Physics · Physics 2022-10-13 Marc Vuffray , Carleton Coffrin , Yaroslav A. Kharkov , Andrey Y. Lokhov

One of the main modeling in many data science applications is the Gaussian Mixture Model (GMM), and Mean Field Variational Bayesian Inference (MFVBI) is classically used for approximate fast computation. In this paper, we provide a…

Differential Geometry · Mathematics 2026-01-07 Alireza Bahraini , Saeed Sadeghi

The classical simulation of quantum computers is in general a computationally hard problem. To emulate the behavior of realistic devices, it is sufficient to sample bitstrings from circuits. Recently, arXiv:2112.08499 introduced the…

Quantum Physics · Physics 2023-11-21 Alex Shapiro , Ryan LaRose

Background properties in experimental particle physics are typically estimated using large data sets. However, different events can exhibit different features because of the quantum mechanical nature of the underlying physics processes.…

Data Analysis, Statistics and Probability · Physics 2014-12-22 Federico Colecchia

We consider the efficiency of classically simulating measurement-based quantum computation on surface-code states. We devise a method for calculating the elements of the probability distribution for the classical output of the quantum…

Quantum Physics · Physics 2012-11-01 Leonard Goff , Robert Raussendorf

Quantum computing offers a powerful new perspective on probabilistic and collective behaviors traditionally taught in statistical physics. This paper presents two classroom-ready modules that integrate quantum computing into the…

Physics Education · Physics 2025-11-06 Zihan Li , Dan A. Mazilu , Irina Mazilu

G-formula is a popular approach for estimating treatment or exposure effects from longitudinal data that are subject to time-varying confounding. G-formula estimation is typically performed by Monte-Carlo simulation, with non-parametric…

We consider generalized quantum Ising models, including those which could describe disordered materials or quantum annealers, and we prove that for all temperatures above a system-size independent threshold the path integral Monte Carlo…

Quantum Physics · Physics 2025-07-16 Elizabeth Crosson , Samuel Slezak