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We introduce CuPyMag, an open-source, Python-based framework for large-scale micromagnetic simulations with magnetostriction. CuPyMag solves micromagnetics with finite elements in a GPU-resident workflow in which key operations, such as…

Computational Physics · Physics 2026-03-13 Hongyi Guan , Ananya Renuka Balakrishna

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and…

Machine learning education faces a fundamental gap: students learn algorithms without understanding the systems that execute them. They study gradient descent without measuring memory, attention mechanisms without analyzing O(N^2) scaling,…

Machine Learning · Computer Science 2026-01-30 Vijay Janapa Reddi

Low-precision training reduces computational cost and produces efficient models. Recent research in developing new low-precision training algorithms often relies on simulation to empirically evaluate the statistical effects of quantization…

Machine Learning · Computer Science 2019-10-11 Tianyi Zhang , Zhiqiu Lin , Guandao Yang , Christopher De Sa

The rising demand for high-performance computing (HPC) has made full-chip dynamic thermal simulation in many-core GPUs critical for optimizing performance and extending device lifespans. Proper orthogonal decomposition (POD) with Galerkin…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Neil He , Ming-Cheng Cheng , Yu Liu

Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly…

We design and implement a ready-to-use library in PyTorch for performing micro-batch pipeline parallelism with checkpointing proposed by GPipe (Huang et al., 2019). In particular, we develop a set of design components to enable…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-22 Chiheon Kim , Heungsub Lee , Myungryong Jeong , Woonhyuk Baek , Boogeon Yoon , Ildoo Kim , Sungbin Lim , Sungwoong Kim

Deep learning technologies, particularly deep neural networks (DNNs), have demonstrated significant success across many domains. This success has been accompanied by substantial advancements and innovations in the algorithms behind the…

Machine Learning · Computer Science 2025-04-14 Timothy L. Cronin , Sanmukh Kuppannagari

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

Machine learning libraries such as TensorFlow and PyTorch simplify model implementation. However, researchers are still required to perform a non-trivial amount of manual tasks such as GPU allocation, training status tracking, and…

The transformer is the most critical algorithm innovation of the Nature Language Processing (NLP) field in recent years. Unlike the Recurrent Neural Network (RNN) models, Transformers can process on dimensions of sequence lengths in…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Jiarui Fang , Yang Yu , Chengduo Zhao , Jie Zhou

This paper introduces and evaluates a freely available cellular nonlinear network simulator optimized for the effective use of GPUs, to achieve fast modelling and simulations. Its relevance is demonstrated for several applications in…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Radu Dogaru , Ioana Dogaru

I show that a software framework intended primarily for training of neural networks, PyTorch, is easily applied to a general function minimisation problem in science. The qualities of PyTorch of ease-of-use and very high efficiency are…

Instrumentation and Methods for Astrophysics · Physics 2018-11-20 Bojan Nikolic

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…

Quantum Physics · Physics 2021-12-21 Taylor L. Patti , Jean Kossaifi , Susanne F. Yelin , Anima Anandkumar

We present tntorch, a tensor learning framework that supports multiple decompositions (including Candecomp/Parafac, Tucker, and Tensor Train) under a unified interface. With our library, the user can learn and handle low-rank tensors with…

Machine Learning · Computer Science 2022-09-22 Mikhail Usvyatsov , Rafael Ballester-Ripoll , Konrad Schindler

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the…

Machine Learning · Computer Science 2022-05-26 Andrew Engel , Zhichao Wang , Anand D. Sarwate , Sutanay Choudhury , Tony Chiang

Sparse general matrix-matrix multiplication (SpGEMM) is a critical operation in many applications. Current multithreaded implementations are based on Gustavson's algorithm and often perform poorly on large matrices due to limited cache…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-11 Jordi Wolfson-Pou , Jan Laukemann , Fabrizio Petrini

A finite-difference Micromagnetic solver is presented utilizing the C++ Accelerated Massive Parallelism (C++ AMP). The high speed performance of a single Graphics Processing Unit (GPU) is demonstrated compared to a typical CPU-based solver.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-07 Ru Zhu

Machine learning has been revolutionizing our world over the last few years and is also increasingly exploited in several areas of physics, including quantum dynamics and control.The need for a framework that brings together machine…

Quantum Physics · Physics 2025-01-31 Dimitris Koutromanos , Dionisis Stefanatos , Emmanuel Paspalakis

We present mumax+, an extensible GPU-accelerated micromagnetic simulator with a Python user interface, to address the challenges posed by current magnetism research into systems with complex magnetic ordering and interfaces. It is a general…