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Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) approach that exhibits favourable exploration properties in high-dimensional models such as neural networks. Unfortunately, HMC has limited use in large-data regimes and…

Machine Learning · Statistics 2020-10-15 Adam D. Cobb , Brian Jalaian

Markov chain Monte Carlo (MCMC) algorithms are indispensable when sampling from a complex, high-dimensional distribution by a conventional method is intractable. Even though MCMC is a powerful tool, it is also hard to control and tune in…

Graphics · Computer Science 2025-10-14 Sascha Holl , Gurprit Singh , Hans-Peter Seidel

Monte Carlo (MC) simulations are essential computational approaches with widespread use throughout all areas of science. We present a method for accelerating lattice MC simulations using fully connected and convolutional artificial neural…

Strongly Correlated Electrons · Physics 2019-07-31 Shaozhi Li , Philip M. Dee , Ehsan Khatami , Steven Johnston

The trend in industry is towards heterogeneous multicore processors (HMCs), including chips with CPUs and massively-threaded throughput-oriented processors (MTTOPs) such as GPUs. Although current homogeneous chips tightly couple the cores…

Hardware Architecture · Computer Science 2013-10-30 Blake A. Hechtman , Daniel J. Sorin

The binary Monte Carlo (MC) collision algorithm is a standard and robust method to include binary Coulomb collision effects in particle-in-cell (PIC) simulations of plasmas. Here, we show that the coupling between PIC and MC algorithms can…

Plasma Physics · Physics 2021-01-15 E. Paulo Alves , Warren B. Mori , Frederico Fiuza

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

Computational Physics · Physics 2013-03-06 R. D. Schram

OpenCL is a standard for parallel programming of heterogeneous systems. The benefits of a common programming standard are clear; multiple vendors can provide support for application descriptions written according to the standard, thus…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-23 Pekka Jääskeläinen , Carlos Sánchez de La Lama , Erik Schnetter , Kalle Raiskila , Jarmo Takala , Heikki Berg

Tensor operations dominate modern computational workloads, yet their further acceleration demands hardware platforms with greater parallelism. Although photonic computing provides a compelling route for parallel processing, fully exploiting…

We developed a three-dimensional radiative transfer code for an ultra-relativistic background flow-field by using the Monte Carlo (MC) method in the context of gamma-ray burst (GRB) emission. For obtaining reliable simulation results in the…

High Energy Astrophysical Phenomena · Physics 2017-09-13 Ayako Ishii , Naofumi Ohnishi , Hiroki Nagakura , Hirotaka Ito , Shoichi Yamada

For emerging applications of hybrid pixel detectors which require high spatial resolution, e.g., subpixel interpolation in X-ray imaging and deep learning-based electron localization, accurate modeling of charge transport processes in the…

Markov chain Monte Carlo (MCMC) is the predominant tool used in Bayesian parameter estimation for hierarchical models. When the model expands due to an increasing number of hierarchical levels, number of groups at a particular level, or…

Computation · Statistics 2016-06-22 Will Landau , Jarad Niemi

This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Nizar ALHafez , Ahmad Kurdi

Monte Carlo simulation is widely used to numerically solve stochastic differential equations. Although the method is flexible and easy to implement, it may be slow to converge. Moreover, an inaccurate solution will result when using large…

Numerical Analysis · Mathematics 2023-02-13 Shuaiqiang Liu , Graziana Colonna , Lech A. Grzelak , Cornelis W. Oosterlee

The computational cost of traditional first-principles method quickly becomes prohibitively expensive as the number of atoms increases. This challenge is further amplified by the need to evaluate finite-temperature properties with Monte…

Materials Science · Physics 2025-08-13 Xianglin Liu , Kai Yang , Yongxiang Liu , Fanli Zhou , Dengdong Fan , Zongrui Pei , Pengxiang Xu , Yonghong Tian

Realistic simulations of detailed, biophysics-based, multi-scale models require very high resolution and, thus, large-scale compute facilities. Existing simulation environments, especially for biomedical applications, are designed to allow…

Computational Engineering, Finance, and Science · Computer Science 2018-02-12 Chris Bradley , Nehzat Emamy , Thomas Ertl , Dominik Göddeke , Andreas Hessenthaler , Thomas Klotz , Aaron Krämer , Michael Krone , Benjamin Maier , Miriam Mehl , Tobias Rau , Oliver Röhrle

The Center for Exascale Monte Carlo Neutron Transport is developing Monte Carlo / Dynamic Code (MC/DC) as a portable Monte Carlo neutron transport package for rapid numerical methods exploration on CPU- and GPU-based high-performance…

Computational Physics · Physics 2025-05-30 Joanna Piper Morgan , Braxton Cuneo , Ilham Variansyah , Kyle E. Niemeyer

In the stochastic gradient descent (SGD) for sequential simulations such as the neural stochastic differential equations, the Multilevel Monte Carlo (MLMC) method is known to offer better theoretical computational complexity compared to the…

Machine Learning · Computer Science 2023-10-11 Kei Ishikawa

In the field of High Performance Computing, communications among processes represent a typical bottleneck for massively parallel scientific applications. Object of this research is the development of a network interface card with specific…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-07 Roberto Ammendola

Dynamic Monte Carlo simulations are used to study coupled transport (co-transport) through sub-nanometer-diameter pores. In this classic Hodgkin-Keynes mechanism, an ion species uses the large flux of an abundant ion species to move against…

Soft Condensed Matter · Physics 2013-11-27 Dezső Boda , Éva Csányi , Dirk Gillespie , Tamás Kristóf

The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…

Soft Condensed Matter · Physics 2012-07-18 Stefan Schnabel , Michael Bachmann , Wolfhard Janke