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The numerical simulation of the diffusion MRI signal arising from complex tissue micro-structures is helpful for understanding and interpreting imaging data as well as for designing and optimizing MRI sequences. The discretization of the…

Computational Engineering, Finance, and Science · Computer Science 2019-10-23 Van-Dang Nguyen , Massimiliano Leoni , Tamara Dancheva , Johan Jansson , Johan Hoffman , Demian Wassermann , Jing-Rebecca Li

RidePy enables fast computer simulations of on-demand mobility modes such as ridehailing or ridepooling. It strongly focuses on modeling the mobility service itself, rather than its customers or the environment. Through a combination of…

Physics and Society · Physics 2023-12-05 Felix Jung , Debsankha Manik

Modern computational neuroscience strives to develop complex network models to explain dynamics and function of brains in health and disease. This process goes hand in hand with advancements in the theory of neuronal networks and increasing…

All simulation approaches eventually face limits in computational scalability when applied to large spatiotemporal domains. This challenge becomes especially apparent in molecular-level particle simulations, where high spatial and temporal…

Computational Physics · Physics 2025-10-23 Matthias Busch , Gregor Häfner , Jiayu Xie , Marius Tacke , Marcus Müller , Christian J. Cyron , Roland C. Aydin

FCMpy is an open source package in Python for building and analyzing Fuzzy Cognitive Maps. More specifically, the package allows 1) deriving fuzzy causal weights from qualitative data, 2) simulating the system behavior, 3) applying machine…

Mathematical Software · Computer Science 2022-11-03 Samvel Mkhitaryan , Philippe J. Giabbanelli , Maciej K. Wozniak , Gonzalo Napoles , Nanne K. de Vries , Rik Crutzen

Background: Software is an important windows to offer a variety of complex instrument control and data processing for nuclear magnetic resonance (NMR) spectrometer. NMR software should allow researchers to flexibly implement various…

Quantitative Methods · Quantitative Biology 2021-03-30 Zao Liu , Kan Song , Zhiwei Chen

The increasing demand for intelligent mobile applications has made multi-agent collaboration with Transformer-based large language models (LLMs) essential in mobile edge computing (MEC) networks. However, training LLMs in such environments…

Systems and Control · Electrical Eng. & Systems 2025-09-25 Jiewei Chen , Xiumei Deng , Zehui Xiong , Shaoyong Guo , Xuesong Qiu , Ping Wang , Dusit Niyato

Due to decelerating gains in single-core CPU performance, computationally expensive simulations are increasingly executed on highly parallel hardware platforms. Agent-based simulations, where simulated entities act with a certain degree of…

Multiagent Systems · Computer Science 2018-07-04 Jiajian Xiao , Philipp Andelfinger , David Eckhoff , Wentong Cai , Alois Knoll

PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…

Programming Languages · Computer Science 2014-07-17 Marcin Cieslik , Cameron Mura

Modern deep neural networks increasingly make use of features such as dynamic control flow, data structures and dynamic tensor shapes. Existing deep learning systems focus on optimizing and executing static neural networks which assume a…

Programming Languages · Computer Science 2021-03-15 Haichen Shen , Jared Roesch , Zhi Chen , Wei Chen , Yong Wu , Mu Li , Vin Sharma , Zachary Tatlock , Yida Wang

Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…

Quantitative Methods · Quantitative Biology 2018-09-27 Peter M. Kasson , Shantenu Jha

DisCoPy (Distributional Compositional Python) is an open source toolbox for computing with string diagrams and functors. In particular, the diagram data structure allows to encode various kinds of quantum processes, with functors for…

Quantum Physics · Physics 2022-05-12 Alexis Toumi , Giovanni de Felice , Richie Yeung

Quantum cloud computing is an emerging computing paradigm that allows seamless access to quantum hardware as cloud-based services. However, effective use of quantum resources is challenging and necessitates robust simulation frameworks for…

Emerging Technologies · Computer Science 2024-05-03 Hoa T. Nguyen , Muhammad Usman , Rajkumar Buyya

With the growth of large language models, now incorporating billions of parameters, the hardware prerequisites for their training and deployment have seen a corresponding increase. Although existing tools facilitate model parallelization…

Machine Learning · Computer Science 2023-12-07 Matthew Choi , Muhammad Adil Asif , John Willes , David Emerson

The urgency of the energy transition requires improving the performance and longevity of hydrogen technologies. AlphaPEM is a dynamic one-dimensional (1D) physics-based PEM fuel cell system simulator, programmed in Python and experimentally…

Systems and Control · Electrical Eng. & Systems 2026-01-28 Raphaël Gass , Zhongliang Li , Rachid Outbib , Samir Jemeï , Daniel Hissel

We present NeuralMag, a flexible and high-performance open-source Python library for micromagnetic simulations. NeuralMag leverages modern machine learning frameworks, such as PyTorch and JAX, to perform efficient tensor operations on…

OpenCAEPoro is a parallel numerical simulation software developed in C++ for simulating multiphase and multicomponent flows in porous media. The software utilizes a set of general-purpose compositional model equations, enabling it to handle…

Mathematical Software · Computer Science 2024-06-18 Shizhe Li , Chen-Song Zhang

This article proposes a universal simulation platform for simulating systems undergoing duress. In other words, this paper introduces a total simulation package which includes a number of methods of simulating the flexibility of a given…

Optimization and Control · Mathematics 2017-10-20 Vu Hoang Minh , Tajwar Abrar Aleef , Usama Pervaiz , Yeman Brhane Hagos , Saed Khawaldeh

High level domain specific languages for the finite element method underpin high productivity programming environments for simulations based on partial differential equations (PDE) while employing automatic code generation to achieve high…

Mathematical Software · Computer Science 2021-11-02 Nacime Bouziani , David A. Ham

Tensors are higher-order extensions of matrices. While matrix methods form the cornerstone of machine learning and data analysis, tensor methods have been gaining increasing traction. However, software support for tensor operations is not…

Machine Learning · Computer Science 2018-05-10 Jean Kossaifi , Yannis Panagakis , Anima Anandkumar , Maja Pantic