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Sum-product networks (SPNs) have recently emerged as a novel deep learning architecture enabling highly efficient probabilistic inference. Since their introduction, SPNs have been applied to a wide range of data modalities and extended to…

Machine Learning · Computer Science 2022-11-15 Adam Dejl , Harsh Deep , Jonathan Fei , Ardavan Saeedi , Li-wei H. Lehman

CPU simulators are vital for computer architecture research, primarily for estimating performance under different programs. This poses challenges for fast and accurate simulation of modern CPUs, especially in multi-core systems. Modern CPU…

Performance · Computer Science 2025-10-14 Buqing Xu , Jianfeng Zhu , Yichi Zhang , Qinyi Cai , Guanhua Li , Shaojun Wei , Leibo Liu

We introduce expandable partial propensity direct method (EPDM) - a new exact stochastic simulation algorithm suitable for systems involving many interacting molecular species. The algorithm is especially efficient for sparsely populated…

Data Structures and Algorithms · Computer Science 2016-10-05 Anton V. Bernatskiy , Elizaveta A. Guseva

In the rapidly evolving domain of next generation sequencing and bioinformatics analysis, data generation is one aspect that is increasing at a concomitant rate. The burden associated with processing large amounts of sequencing data has…

Genomics · Quantitative Biology 2015-03-11 Matthew J. Wade , Thomas P. Curtis , Russell J. Davenport

In this study, we have developed a parallel version of the random time simulation algorithm. Firstly, we gave a rigorous basis of the random time description of the stochastic process of chemical reaction network time evolution. And then we…

Molecular Networks · Quantitative Biology 2021-03-02 Chuanbo Liu , Jin Wang

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

Processing-in-memory (PIM) has shown extraordinary potential in accelerating neural networks. To evaluate the performance of PIM accelerators, we present an ISA-based simulation framework including a dedicated ISA targeting neural networks…

Hardware Architecture · Computer Science 2024-02-29 Xinyu Wang , Xiaotian Sun , Yinhe Han , Xiaoming Chen

The miniaturization of transistors down to 5nm and beyond, plus the increasing complexity of integrated circuits, significantly aggravate short channel effects, and demand analysis and optimization of more design corners and modes.…

Machine Learning · Computer Science 2020-02-14 Mohammad Saeed Abrishami , Massoud Pedram , Shahin Nazarian

This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…

Computational Physics · Physics 2025-11-11 Weihang Gao , Teng Zhao , Yongfa Guo , Jiuyang Liang , Huan Liu , Maoying Luo , Zedong Luo , Wei Qin , Yichao Wang , Qi Zhou , Shi Jin , Zhenli Xu

Neurosim is a fast, real-time, high-performance library for simulating sensors such as dynamic vision sensors, RGB cameras, depth sensors, and inertial sensors. It can also simulate agile dynamics of multi-rotor vehicles in complex and…

Robotics · Computer Science 2026-02-17 Richeek Das , Pratik Chaudhari

We present a highly efficient and accurate hybrid stochastic simulation algorithm (HSSA) for the purpose of simulating a subset of biochemical reactions of large gene regulatory networks (GRN). The algorithm relies on the separability of a…

Molecular Networks · Quantitative Biology 2020-09-29 Jaroslav Albert

Probabilistic reasoning is an essential tool for robust decision-making systems because of its ability to explicitly handle real-world uncertainty, constraints and causal relations. Consequently, researchers are developing hybrid models by…

Hardware Architecture · Computer Science 2021-03-02 Nimish Shah , Laura I. Galindez Olascoaga , Wannes Meert , Marian Verhelst

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

Stochastic simulations are one of the cornerstones of the analysis of dynamical processes on complex networks, and are often the only accessible way to explore their behavior. The development of fast algorithms is paramount to allow…

Quantitative Methods · Quantitative Biology 2015-11-09 Christian L. Vestergaard , Mathieu Génois

We present a novel Relativistic Semi-Implicit Method (RelSIM) for particle-in-cell (PIC) simulations of astrophysical plasmas, implemented in a code framework ready for production runs. While explicit PIC methods have gained widespread…

High Energy Astrophysical Phenomena · Physics 2023-08-29 Fabio Bacchini

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

We present ffsim, an open-source software library for fast simulation of fermionic quantum circuits. ffsim exploits conservation of particle number and the z component of spin, symmetries present in a wide range of fermionic systems, to…

Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. Here, we present a new acceleration algorithm based on…

Quantitative Methods · Quantitative Biology 2019-07-24 Yen Ting Lin , Song Feng , William S. Hlavacek

Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…

Biological Physics · Physics 2016-03-02 Fabian Spill , Philip K. Maini , Helen Byrne

\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods…