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We review design and development decisions and their impact for the open source code Nmag from a software engineering in computational science point of view. We summarise lessons learned and recommendations for future computational science…

Software Engineering · Computer Science 2016-07-14 Hans Fangohr , Maximilian Albert , Matteo Franchin

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…

Machine Learning · Computer Science 2022-11-21 Krishna Kumar , Joseph Vantassel

We introduce PyTorchVideo, an open-source deep-learning library that provides a rich set of modular, efficient, and reproducible components for a variety of video understanding tasks, including classification, detection, self-supervised…

In the field of magnonics, which uses magnons, the quanta of spin waves, for energy-efficient data processing, significant progress has been made leveraging the capabilities of the inverse design concept. This approach involves defining a…

Fidimag is an open-source scientific code for the study of magnetic materials at the nano- or micro-scale using either atomistic or finite difference micromagnetic simulations, which are based on solving the Landau-Lifshitz-Gilbert…

Mesoscale and Nanoscale Physics · Physics 2020-02-12 Marc-Antonio Bisotti , David Cortés-Ortuño , Ryan A. Pepper , Weiwei Wang , Marijan Beg , Thomas Kluyver , Hans Fangohr

We introduce TurboGP, a Genetic Programming (GP) library fully written in Python and specifically designed for machine learning tasks. TurboGP implements modern features not available in other GP implementations, such as island and cellular…

Neural and Evolutionary Computing · Computer Science 2023-09-04 Lino Rodriguez-Coayahuitl , Alicia Morales-Reyes , Hugo Jair Escalante

Deep Neural Networks have now achieved state-of-the-art results in a wide range of tasks including image classification, object detection and so on. However, they are both computation consuming and memory intensive, making them difficult to…

Machine Learning · Computer Science 2019-11-13 Xianda Xu , Marco Pedersoli

This paper introduces Inferno, a software library built on top of PyTorch that is designed to meet distinctive challenges of using spiking neural networks (SNNs) for machine learning tasks. We describe the architecture of Inferno and key…

Neural and Evolutionary Computing · Computer Science 2024-09-19 Marissa Dominijanni

The $\texttt{torch-choice}$ is an open-source library for flexible, fast choice modeling with Python and PyTorch. $\texttt{torch-choice}$ provides a $\texttt{ChoiceDataset}$ data structure to manage databases flexibly and…

Machine Learning · Computer Science 2025-06-05 Tianyu Du , Ayush Kanodia , Susan Athey

This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and…

Machine Learning · Statistics 2025-10-14 Louis Berthier , Ahmed Shokry , Maxime Moreaud , Guillaume Ramelet , Eric Moulines

Conventional kernel-based machine learning models for ab initio potential energy surfaces, while accurate and convenient in small data regimes, suffer immense computational cost as training set sizes increase. We introduce QML-Lightning, a…

Chemical Physics · Physics 2022-12-21 Nicholas J. Browning , Felix A. Faber , O. Anatole von Lilienfeld

We present MuMax, a general-purpose micromagnetic simulation tool running on Graphical Processing Units (GPUs). MuMax is designed for high performance computations and specifically targets large simulations. In that case speedups of over a…

Computational Physics · Physics 2015-05-27 Arne Vansteenkiste , Ben Van de Wiele

We present MT-DNN, an open-source natural language understanding (NLU) toolkit that makes it easy for researchers and developers to train customized deep learning models. Built upon PyTorch and Transformers, MT-DNN is designed to facilitate…

Computation and Language · Computer Science 2020-05-19 Xiaodong Liu , Yu Wang , Jianshu Ji , Hao Cheng , Xueyun Zhu , Emmanuel Awa , Pengcheng He , Weizhu Chen , Hoifung Poon , Guihong Cao , Jianfeng Gao

We introduce nvTorchCam, an open-source library under the Apache 2.0 license, designed to make deep learning algorithms camera model-independent. nvTorchCam abstracts critical camera operations such as projection and unprojection, allowing…

Computer Vision and Pattern Recognition · Computer Science 2024-10-17 Daniel Lichy , Hang Su , Abhishek Badki , Jan Kautz , Orazio Gallo

As a language model that integrates traditional symbolic operations and flexible neural representations, recurrent neural network grammars (RNNGs) have attracted great attention from both scientific and engineering perspectives. However,…

Computation and Language · Computer Science 2021-06-01 Hiroshi Noji , Yohei Oseki

We examine popular gradient-based algorithms for nonlinear control in the light of the modern complexity analysis of first-order optimization algorithms. The examination reveals that the complexity bounds can be clearly stated in terms of…

Optimization and Control · Mathematics 2019-08-22 Vincent Roulet , Siddhartha Srinivasa , Dmitriy Drusvyatskiy , Zaid Harchaoui

Core computations in Graph Neural Network (GNN) training and inference are often mapped to sparse matrix operations such as sparse-dense matrix multiplication (SpMM). These sparse operations are harder to optimize by manual tuning because…

Machine Learning · Computer Science 2024-03-25 Md Saidul Hoque Anik , Pranav Badhe , Rohit Gampa , Ariful Azad

We introduce a learning-based framework to optimize tensor programs for deep learning workloads. Efficient implementations of tensor operators, such as matrix multiplication and high dimensional convolution, are key enablers of effective…

Machine Learning · Computer Science 2019-01-10 Tianqi Chen , Lianmin Zheng , Eddie Yan , Ziheng Jiang , Thierry Moreau , Luis Ceze , Carlos Guestrin , Arvind Krishnamurthy

Continuous-depth learning has recently emerged as a novel perspective on deep learning, improving performance in tasks related to dynamical systems and density estimation. Core to these approaches is the neural differential equation, whose…

Machine Learning · Computer Science 2020-09-22 Michael Poli , Stefano Massaroli , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

\texttt{Mixture-Models} is an open-source Python library for fitting Gaussian Mixture Models (GMM) and their variants, such as Parsimonious GMMs, Mixture of Factor Analyzers, MClust models, Mixture of Student's t distributions, etc. It…

Computation · Statistics 2024-02-19 Siva Rajesh Kasa , Hu Yijie , Santhosh Kumar Kasa , Vaibhav Rajan
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