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As quantum computers of non-trivial size become available in the near future, it is imperative to develop tools to emulate small quantum computers. This allows for validation and debugging of algorithms as well as exploring…

Quantum Physics · Physics 2018-01-24 Thomas Häner , Damian S. Steiger , Mikhail Smelyanskiy , Matthias Troyer

Computer models are now widely used across a range of scientific disciplines to describe various complex physical systems, however to perform full uncertainty quantification we often need to employ emulators. An emulator is a fast…

Methodology · Statistics 2019-05-06 Ian Vernon , Samuel E. Jackson , Jonathan A. Cumming

Quantum simulation promises to address many challenges in fields ranging from quantum chemistry to material science, and high-energy physics, and could be implemented in noisy intermediate-scale quantum devices. A challenge in building good…

Quantum Physics · Physics 2020-07-22 Yi-Xiang Liu , Jordan Hines , Zhi Li , Ashok Ajoy , Paola Cappellaro

Granular materials are heterogenous grains in contact, which are ubiquitous in many scientific and engineering applications such as chemical engineering, fluid mechanics, geomechanics, pharmaceutics, and so on. Granular materials pose a…

Computational Physics · Physics 2019-11-21 Haolei Wang , Lei Zhang

We explore how the big-three computing paradigms -- symmetric multi-processor (SMC), graphical processing units (GPUs), and cluster computing -- can together be brought to bare on large-data Gaussian processes (GP) regression problems via a…

Computation · Statistics 2014-06-05 Robert B. Gramacy , Jarad Niemi , Robin M. Weiss

Simulating the topological phases of matter in synthetic quantum simulators is a topic of considerable interest. Given the universality of digital quantum simulators, the prospect of digitally simulating exotic topological phases is greatly…

Quantum Physics · Physics 2020-10-21 Feng Mei , Qihao Guo , Ya-Fei Yu , Liantuan Xiao , Shi-Liang Zhu , Suotang Jia

The Gaussian process (GP) is a popular statistical technique for stochastic function approximation and uncertainty quantification from data. GPs have been adopted into the realm of machine learning in the last two decades because of their…

Machine Learning · Statistics 2024-10-02 Marcus M. Noack , Hengrui Luo , Mark D. Risser

We consider adapting a canonical computer model calibration apparatus, involving coupled Gaussian process (GP) emulators, to a computer experiment simulating radiative shock hydrodynamics that is orders of magnitude larger than what can…

The scientific understanding of real-world processes has dramatically improved over the years through computer simulations. Such simulators represent complex mathematical models that are implemented as computer codes which are often…

Computation · Statistics 2020-04-20 Alfredo Garbuno-Inigo , F. Alejandro DiazDelaO , Konstantin M. Zuev

Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to…

Disordered Systems and Neural Networks · Physics 2017-01-04 Ye Fang , Sheng Feng , Ka-Ming Tam , Zhifeng Yun , Juana Moreno , J. Ramanujam , Mark Jarrell

Computing an ensemble of random fields using conditional simulation is an ideal method for retrieving accurate estimates of a field conditioned on available data and for quantifying the uncertainty of these realizations. Methods for…

Methodology · Statistics 2021-11-11 Maggie D. Bailey , Soutir Bandyopadhyay , Douglas W. Nychka

The Gaussian process (GP) is a widely used probabilistic machine learning method with implicit uncertainty characterization for stochastic function approximation, stochastic modeling, and analyzing real-world measurements of nonlinear…

Machine Learning · Statistics 2026-04-14 Mark D. Risser , Marcus M. Noack , Hengrui Luo , Ronald Pandolfi

Deep Gaussian Processes (DGPs) compose GP layers to warp inputs, enabling improved emulation of computer models with nonstationary input-output behavior compared with ordinary GPs. In contrast to GPs, the predictive uncertainty for DGP…

Computation · Statistics 2026-05-12 Yiming Yang , Deyu Ming , Serge Guillas

The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…

The traditional workflow in continuum mechanics simulations is that a geometry description -- for example obtained using Constructive Solid Geometry or Computer Aided Design tools -- forms the input for a mesh generator. The mesh is then…

Numerical Analysis · Mathematics 2021-11-18 Luca Heltai , Wolfgang Bangerth , Martin Kronbichler , Andrea Mola

Stochastic and conditional simulation methods have been effective towards producing realistic realizations and simulations of spatial numerical models that share equal probability of occurrence. Application of these methods are valuable…

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…

Machine Learning · Computer Science 2014-08-12 Jie Chen , Nannan Cao , Kian Hsiang Low , Ruofei Ouyang , Colin Keng-Yan Tan , Patrick Jaillet

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…

Machine Learning · Statistics 2013-05-27 Jie Chen , Nannan Cao , Kian Hsiang Low , Ruofei Ouyang , Colin Keng-Yan Tan , Patrick Jaillet

Due to the scarcity of quantum computing resources, researchers and developers have very limited access to real quantum computers. Therefore, judicious planning and utilization of quantum computer runtime are essential to ensure smooth…

Software Engineering · Computer Science 2025-11-18 Ning Ma , Heng Li

Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…

Quantum Physics · Physics 2025-01-10 Yotam Shapira , Jovan Markov , Nitzan Akerman , Ady Stern , Roee Ozeri