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Developing an efficient method to accelerate the speed of molecular dynamics is a central theme in the field of molecular simulation. One category among the methods are collective-variable-based methods, which rely on predefined collective…

Chemical Physics · Physics 2024-08-27 Jiahao Fan , Yanze Wang , Dongdong Wang , Linfeng Zhang

Our study focuses on fractional order compartment models derived from underlying physical stochastic processes, providing a more physically grounded approach compared to models that use the dynamical system approach by simply replacing…

Stochastic process models are now commonly used to analyse complex biological, ecological and industrial systems. Increasingly there is a need to deliver accurate estimates of model parameters and assess model fit by optimizing the timing…

Computation · Statistics 2018-09-18 Colin S. Gillespie , Richard J. Boys

We present the R package SimInf which provides an efficient and very flexible framework to conduct data-driven epidemiological modeling in realistic large scale disease spread simulations. The framework integrates infection dynamics in…

Populations and Evolution · Quantitative Biology 2021-08-10 Stefan Widgren , Pavol Bauer , Robin Eriksson , Stefan Engblom

The Cox proportional hazards model stands as a widely-used semi-parametric approach for survival analysis in medical research and many other fields. Numerous extensions of the Cox model have further expanded its versatility. Statistical…

Computation · Statistics 2023-10-26 Jianxiao Yang , Martijn J. Schuemie , Marc A. Suchard

Spiking neural networks (SNNs) are largely inspired by biology and neuroscience and leverage ideas and theories to create fast and efficient learning systems. Spiking neuron models are adopted as core processing units in neuromorphic…

Neural and Evolutionary Computing · Computer Science 2023-02-16 Davide Liberato Manna , Alex Vicente Sola , Paul Kirkland , Trevor Bihl , Gaetano Di Caterina

Pretraining on large-scale, in-domain datasets grants histopathology foundation models (FM) the ability to learn task-agnostic data representations, enhancing transfer learning on downstream tasks. In computational pathology, automated…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Pablo Meseguer , Rocío del Amor , Valery Naranjo

This paper examines a new parallel computation model called bulk synchronous farm (BSF) that focuses on estimating the scalability of compute-intensive iterative algorithms aimed at cluster computing systems. In the BSF model, a computer is…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-05 Leonid B. Sokolinsky

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

We present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination, and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which…

Mathematical Software · Computer Science 2015-02-27 Pieter Ghysels , Xiaoye S. Li , Francois-Henry Rouet , Samuel Williams , Artem Napov

Dynamic models have been successfully used in producing estimates of HIV epidemics at the national level due to their epidemiological nature and their ability to estimate prevalence, incidence, and mortality rates simultaneously. Recently,…

Methodology · Statistics 2024-01-11 Le Bao , Xiaoyue Niu , Tim Brown , Jeffrey W. Imai-Eaton

With the rapid advancement of AI technology, we have seen more and more concerns on data privacy, leading to some cutting-edge research on machine learning with encrypted computation. Fully Homomorphic Encryption (FHE) is a crucial…

Cryptography and Security · Computer Science 2026-03-31 Longfei Guo , Pengbo Li , Ting Gao , Yonghai Zhong , Haojie Fan , Jinqiao Duan

We present a new library for parallel distributed Fast Fourier Transforms (FFT). The importance of FFT in science and engineering and the advances in high performance computing necessitate further improvements. AccFFT extends existing FFT…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-05-27 Amir Gholami , Judith Hill , Dhairya Malhotra , George Biros

Collaborative filtering (CF) has been proven to be one of the most effective techniques for recommendation. Among all CF approaches, SimpleX is the state-of-the-art method that adopts a novel loss function and a proper number of negative…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-04 Chengming Zhang , Shaden Smith , Baixi Sun , Jiannan Tian , Jonathan Soifer , Xiaodong Yu , Shuaiwen Leon Song , Yuxiong He , Dingwen Tao

During an infection, HIV experiences strong selection by immune system T cells. Recent experimental work has shown that MHC escape mutations form an important pathway for HIV to avoid such selection. In this paper, we study a model of MHC…

Probability · Mathematics 2009-09-02 Sivan Leviyang

Investigating the dynamics of growing cell populations is crucial for unraveling key biological mechanisms in living organisms, with many important applications in therapeutics and biochemical engineering. Classical agent-based simulation…

Quantitative Methods · Quantitative Biology 2025-01-22 Shaoqing Chen , Zhou Fang , Zheng Hu , Da Zhou

Bright-field microscopy, a cost-effective solution for live-cell culture, is often the only resource available, along with standard CPUs, for many low-budget labs. The inherent challenges of bright-field images -- their noisiness, low…

Quantitative Methods · Quantitative Biology 2025-11-03 Surajit Das , Pavel Zun

Mathematical modeling of biological systems is crucial to effectively and efficiently developing treatments for medical conditions that plague humanity. Often, systems of ordinary differential equations are a traditional tool used to…

Classical Analysis and ODEs · Mathematics 2015-09-01 Eric Jones , Peter Roemer , Mrinal Raghupathi , Stephen Pankavich

Feature caching has recently emerged as a promising method for diffusion model acceleration. It effectively alleviates the inefficiency problem caused by high computational requirements by caching similar features in the inference process…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Jiayi Pan , Jiaming Xu , Yongkang Zhou , Guohao Dai

The Statistical Toolkit is an open source system specialized in the statistical comparison of distributions. It addresses requirements common to different experimental domains, such as simulation validation (e.g. comparison of experimental…

Computational Physics · Physics 2015-06-11 M Batic , A. M. Paganoni , A. Pfeiffer , M. G. Pia , A. Ribon