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We show that for any multiple-try Metropolis algorithm, one can always accept the proposal and evaluate the importance weight that is needed to correct for the bias without extra computational cost. This results in a general, convenient,…

Computation · Statistics 2024-10-03 Guanxun Li , Aaron Smith , Quan Zhou

Neural implicit representations have become a popular choice for modeling surfaces due to their adaptability in resolution and support for complex topology. While previous works have achieved impressive reconstruction quality by training on…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Lu Sang , Abhishek Saroha , Maolin Gao , Daniel Cremers

Importance sampling is a technique that is commonly used to speed up Monte Carlo simulation of rare events. However, little is known regarding the design of efficient importance sampling algorithms in the context of queueing networks. The…

Probability · Mathematics 2009-09-29 Paul Dupuis , Ali Devin Sezer , Hui Wang

In high-energy particle physics, complex Monte Carlo (MC) simulations are needed to compare theory predictions to measurable quantities. Many and large MC samples are needed to be generated to take into account all the systematics.…

High Energy Physics - Experiment · Physics 2022-11-15 Valentina Guglielmi

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Samuel Yen-Chi Chen , Daniel Fry , Amol Deshmukh , Vladimir Rastunkov , Charlee Stefanski

In this work, we introduce the No-Underrun Sampler (NURS), a locally-adaptive, gradient-free Markov chain Monte Carlo method that blends ideas from Hit-and-Run and the No-U-Turn Sampler. NURS dynamically adapts to the local scale of the…

Statistics Theory · Mathematics 2025-02-27 Nawaf Bou-Rabee , Bob Carpenter , Sifan Liu , Stefan Oberdörster

Quantitative susceptibility mapping (QSM) is an MRI phase-based post-processing method that quantifies tissue magnetic susceptibility distributions. However, QSM acquisitions are relatively slow, even with parallel imaging. Incoherent…

Image and Video Processing · Electrical Eng. & Systems 2021-07-20 Yang Gao , Martijn Cloos , Feng Liu , Stuart Crozier , G. Bruce Pike , Hongfu Sun

Due to the exponential growth of the Hilbert space dimension with system size, the simulation of quantum many-body systems has remained a persistent challenge until today. Here, we review a relatively new class of variational states for the…

Disordered Systems and Neural Networks · Physics 2024-07-29 Hannah Lange , Anka Van de Walle , Atiye Abedinnia , Annabelle Bohrdt

We present a deterministic optimization framework for Neural Network Quantum States (NQS) designed to bypass the sampling variance and slow mixing issues inherent in stochastic optimization. By projecting a neural backflow ansatz onto…

Chemical Physics · Physics 2026-05-12 Zheng Che

Markov chain Monte Carlo (MCMC) methods are widely used in machine learning. One of the major problems with MCMC is the question of how to design chains that mix fast over the whole state space; in particular, how to select the parameters…

Machine Learning · Computer Science 2019-07-16 Kiarash Shaloudegi , András György

Monte Carlo methods are widely used in particle physics to integrate and sample probability distributions (differential cross sections or decay rates) on multi-dimensional phase spaces. We present a Neural Network (NN) algorithm optimized…

High Energy Physics - Phenomenology · Physics 2020-10-21 Matthew D. Klimek , Maxim Perelstein

Computing the ground state of interacting quantum matter is a long-standing challenge, especially for complex two-dimensional systems. Recent developments have highlighted the potential of neural quantum states to solve the quantum…

Disordered Systems and Neural Networks · Physics 2025-07-03 Ao Chen , Markus Heyl

The reliable characterization of quantum states is a fundamental task in quantum information science. For this purpose, quantum state tomography provides a standard framework for reconstructing quantum states from measurement data, yet it…

Quantum Physics · Physics 2026-04-14 Yixuan Hu , Mengru Ma , Jiangwei Shang

Importance sampling is a variance reduction technique for efficient estimation of rare-event probabilities by Monte Carlo. In standard importance sampling schemes, the system is simulated using an a priori fixed change of measure suggested…

Probability · Mathematics 2007-05-23 Paul Dupuis , Hui Wang

Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…

Quantum Physics · Physics 2025-06-24 Hyein Cho , Jeonghoon Kim , Hocheol Lim

In this comment on "Solving Statistical Mechanics Using Variational Autoregressive Networks" by Wu et al., we propose a subtle yet powerful modification of their approach. We show that the inherent sampling error of their method can be…

Statistical Mechanics · Physics 2019-03-27 Kim Nicoli , Pan Kessel , Nils Strodthoff , Wojciech Samek , Klaus-Robert Müller , Shinichi Nakajima

Rydberg atom arrays are programmable quantum simulators capable of preparing interacting qubit systems in a variety of quantum states. Due to long experimental preparation times, obtaining projective measurement data can be relatively slow…

Quantum Physics · Physics 2022-05-11 Stefanie Czischek , M. Schuyler Moss , Matthew Radzihovsky , Ejaaz Merali , Roger G. Melko

In the field of computational physics and material science, the efficient sampling of rare events occurring at atomic scale is crucial. It aids in understanding mechanisms behind a wide range of important phenomena, including protein…

Machine Learning · Computer Science 2024-01-17 Xinru Hua , Rasool Ahmad , Jose Blanchet , Wei Cai

Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their application to molecular systems remains challenging for several…

Chemical Physics · Physics 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

Scientific computing has long relied on double precision (64-bit floating point) arithmetic to guarantee accuracy in simulations of real-world phenomena. However, the growing availability of hardware accelerators such as Graphics Processing…

Quantum Physics · Physics 2026-01-29 Massimo Solinas , Agnes Valenti , Nawaf Bou-Rabee , Roeland Wiersema
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