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We compare different methods for sampling from discrete probability distributions and introduce a new algorithm which is especially efficient on massively parallel processors, such as GPUs. The scheme preserves the distribution properties…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-02 Nikolaus Binder , Alexander Keller

Spiking Neural Networks (SNNs) hold great potential to realize brain-inspired, energy-efficient computational systems. However, current SNNs still fall short in terms of multi-scale temporal processing compared to their biological…

Neural and Evolutionary Computing · Computer Science 2024-08-28 Xinyi Chen , Jibin Wu , Chenxiang Ma , Yinsong Yan , Yujie Wu , Kay Chen Tan

The past years have witnessed many dedicated open-source projects that built and maintain implementations of Support Vector Machines (SVM), parallelized for GPU, multi-core CPUs and distributed systems. Up to this point, no comparable…

Machine Learning · Statistics 2014-09-09 Quan Zhou , Wenlin Chen , Shiji Song , Jacob R. Gardner , Kilian Q. Weinberger , Yixin Chen

We experiment with a massively parallel implementation of an algorithm for simulating the dynamics of metastable decay in kinetic Ising models. The parallel scheme is directly applicable to a wide range of stochastic cellular automata where…

Statistical Mechanics · Physics 2009-10-31 G. Korniss , M. A. Novotny , P. A. Rikvold

Random walks are a fundamental primitive used in many machine learning algorithms with several applications in clustering and semi-supervised learning. Despite their relevance, the first efficient parallel algorithm to compute random walks…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-02 Michael Kapralov , Silvio Lattanzi , Navid Nouri , Jakab Tardos

We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical kinetics networks, which rests on elimination of fast chemical species without a loss of information about mesoscopic, non-Poissonian…

Molecular Networks · Quantitative Biology 2009-07-07 N. A. Sinitsyn , Nicolas Hengartner , Ilya Nemenman

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances using commodity hardware. To fully reap these…

Computational Physics · Physics 2020-10-28 Szilárd Páll , Artem Zhmurov , Paul Bauer , Mark Abraham , Magnus Lundborg , Alan Gray , Berk Hess , Erik Lindahl

Computational systems biology has provided plenty of insights into cell biology. Early on, the focus was on reaction networks between molecular species. Spatial distribution only began to be considered mostly within the last decade.…

Quantitative Methods · Quantitative Biology 2016-05-13 Atsushi Miyauchi , Kazunari Iwamoto , Satya Nanda Vel Arjunan , Koichi Takahashi

Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…

Understanding the complex behavior of molecular systems is fundamental to fields such as physics, materials science, and biology. Molecular dynamics (MD) simulations are crucial tools for studying atomic-level dynamics. This work focuses on…

Computational Engineering, Finance, and Science · Computer Science 2025-07-16 David Martin , Samuel James Newcome , Markus Mühlhäußer , Manish Kumar Mishra , Fabio Alexander Gratl , Hans-Joachim Bungartz

This paper presents parallel-in-time state estimation methods for systems with Slow-Rate inTegrated Measurements (SRTM). Integrated measurements are common in various applications, and they appear in analysis of data resulting from…

Computation · Statistics 2024-10-02 Fatemeh Yaghoobi , Simo Särkkä

Genetic Algorithms (GAs) are used to solve search and optimization problems in which an optimal solution can be found using an iterative process with probabilistic and non-deterministic transitions. However, depending on the problem's…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-23 Matheus F. Torquato , Marcelo A. C. Fernandes

Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…

Numerical Analysis · Computer Science 2013-10-21 Jana Pazúriková , Luděk Matyska

We introduce a new version of particle filter in which the number of "children" of a particle at a given time has a Poisson distribution. As a result, the number of particles is random and varies with time. An advantage of this scheme is…

Computation · Statistics 2019-08-05 Tomasz Cąkała , Błażej Miasojedow , Wojciech Niemiro

This paper presents algorithms for temporal parallelization of Bayesian smoothers. We define the elements and the operators to pose these problems as the solutions to all-prefix-sums operations for which efficient parallel scan-algorithms…

Computation · Statistics 2020-02-21 Simo Särkkä , Ángel F. García-Fernández

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Quantum Physics · Physics 2008-12-17 Ivan Kassal , Stephen P. Jordan , Peter J. Love , Masoud Mohseni , Alán Aspuru-Guzik

Markov chain Monte Carlo is an inherently serial algorithm. Although likelihood calculations for individual steps can sometimes be parallelized, the serial evolution of the process is widely viewed as incompatible with parallelization,…

Computation · Statistics 2013-12-31 Douglas N. VanDerwerken , Scott C. Schmidler

Real-time systems increasingly use multicore processors in order to satisfy thermal, power, and computational requirements. To exploit the architectural parallelism offered by the multicore processors, parallel task models, scheduling…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-28 Niklas Ueter , Mario Günzel , Jian-Jia Chen

We consider the problem of inferring the unknown parameters of a stochastic biochemical network model from a single measured time-course of the concentration of some of the involved species. Such measurements are available, e.g., from…

Molecular Networks · Quantitative Biology 2011-11-22 Christian L. Muller , Rajesh Ramaswamy , Ivo F. Sbalzarini