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DNN+NeuroSim is an integrated framework to benchmark compute-in-memory (CIM) accelerators for deep neural networks, with hierarchical design options from device-level, to circuit-level and up to algorithm-level. A python wrapper is…

Emerging Technologies · Computer Science 2020-03-17 Xiaochen Peng , Shanshi Huang , Hongwu Jiang , Anni Lu , Shimeng Yu

Memristor-based hardware offers new possibilities for energy-efficient machine learning (ML) by providing analog in-memory matrix multiplication. Current hardware prototypes cannot fit large neural networks, and related literature covers…

Machine Learning · Computer Science 2025-06-02 Nick Rossenbach , Benedikt Hilmes , Leon Brackmann , Moritz Gunz , Ralf Schlüter

MNPBEM is a Matlab toolbox for the simulation of metallic nanoparticles (MNP), using a boundary element method (BEM) approach. The main purpose of the toolbox is to solve Maxwell's equations for a dielectric environment where bodies with…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Ulrich Hohenester , Andreas Trügler

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs, have presented two significant challenges to developing a programmable high-performance graph library.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-01-06 Yangzihao Wang , Yuechao Pan , Andrew Davidson , Yuduo Wu , Carl Yang , Leyuan Wang , Muhammad Osama , Chenshan Yuan , Weitang Liu , Andy T. Riffel , John D. Owens

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models…

Gaussian process (GP) inference in Python is dominated by libraries such as GPyTorch and GPflow, which are built on deep-learning frameworks and inherit their dispatch overhead and dependency footprint. We present LightGP, a dependency-free…

Machine Learning · Computer Science 2026-05-19 Yu-Hsueh Fang

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

In order to comprehensively investigate the multiphysics coupling in spintronic devices, it is essential to parallelize and utilize GPU-acceleration to address the spatial and temporal disparities inherent in the relevant physics.…

Computational Engineering, Finance, and Science · Computer Science 2026-02-17 Andy Nonaka , Yingheng Tang , Julian C. LePelch , Prabhat Kumar , Weiqun Zhang , Jorge A. Munoz , Christian Fernandez-Soria , Cesar Diaz , David J. Gardner , Zhi Jackie Yao

As deep learning models scale, their training cost has surged significantly. Due to both hardware advancements and limitations in current software stacks, the need for data efficiency has risen. Data efficiency refers to the effective…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-09 Kun Wu

Solving differential equations is a critical challenge across a host of domains. While many software packages efficiently solve these equations using classical numerical approaches, there has been less effort in developing a library for…

Machine Learning · Computer Science 2025-02-19 Shuheng Liu , Pavlos Protopapas , David Sondak , Feiyu Chen

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Shen Li , Yanli Zhao , Rohan Varma , Omkar Salpekar , Pieter Noordhuis , Teng Li , Adam Paszke , Jeff Smith , Brian Vaughan , Pritam Damania , Soumith Chintala

Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…

We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…

High Energy Physics - Lattice · Physics 2023-09-26 Raghav G. Jha , Abhishek Samlodia

Modern machine learning (ML) training workloads place substantial demands on both computational and communication resources. Consequently, accurate performance estimation has become increasingly critical for guiding system design decisions,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-10 Jianxing Qin , Jingrong Chen , Xinhao Kong , Yongji Wu , Tianjun Yuan , Liang Luo , Zhaodong Wang , Ying Zhang , Tingjun Chen , Alvin R. Lebeck , Danyang Zhuo

Multiple Instance Learning (MIL) is a powerful framework for weakly supervised learning, particularly useful when fine-grained annotations are unavailable. Despite growing interest in deep MIL methods, the field lacks standardized tools for…

In this paper, we present results obtained using QMCTorch, a modular framework for real-space Quantum Monte Carlo (QMC) simulations of small molecular systems. Built on the popular deep learning library PyTorch, QMCTorch is GPU-native and…

Chemical Physics · Physics 2025-06-12 Nicolas Renaud

Finite element simulations play a critical role in a wide range of applications, from automotive design to tsunami modeling and computational electromagnetics. Performing these simulations efficiently at the high resolutions needed for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-13 Jiqun Tu , Ian Karlin , John Camier , Veselin Dobrev , Tzanio Kolev , Stefan Henneking , Omar Ghattas

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs have been two significant challenges for developing a programmable high-performance graph library.…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-02-24 Yangzihao Wang , Andrew Davidson , Yuechao Pan , Yuduo Wu , Andy Riffel , John D. Owens

AnalogVNN, a simulation framework built on PyTorch which can simulate the effects of optoelectronic noise, limited precision, and signal normalization present in photonic neural network accelerators. We use this framework to train and…

Machine Learning · Computer Science 2023-12-29 Vivswan Shah , Nathan Youngblood

Evolutionary computation is an important component within various fields such as artificial intelligence research, reinforcement learning, robotics, industrial automation and/or optimization, engineering design, etc. Considering the…

Neural and Evolutionary Computing · Computer Science 2023-05-23 Nihat Engin Toklu , Timothy Atkinson , Vojtěch Micka , Paweł Liskowski , Rupesh Kumar Srivastava
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