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PyTorch Adapt is a library for domain adaptation, a type of machine learning algorithm that re-purposes existing models to work in new domains. It is a fully-featured toolkit, allowing users to create a complete train/test pipeline in a few…

Machine Learning · Computer Science 2022-11-30 Kevin Musgrave , Serge Belongie , Ser-Nam Lim

Isaac Gym offers a high performance learning platform to train policies for wide variety of robotics tasks directly on GPU. Both physics simulation and the neural network policy training reside on GPU and communicate by directly passing…

Training massive-scale deep learning models on datasets spanning tens of terabytes presents critical challenges in hardware utilization and training reproducibility. In this paper, we identify and resolve profound data-loading bottlenecks…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-24 Kashish Mittal , Di Yu , Roozbeh Ketabi , Arushi Arora , Brendon Lapp , Peng Zhang

New types of machine learning hardware in development and entering the market hold the promise of revolutionizing deep learning in a manner as profound as GPUs. However, existing software frameworks and training algorithms for deep learning…

As Graph Neural Networks (GNNs) become popular, libraries like PyTorch-Geometric (PyG) and Deep Graph Library (DGL) are proposed; these libraries have emerged as the de facto standard for implementing GNNs because they provide…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-29 Yi-Chien Lin , Yuyang Chen , Sameh Gobriel , Nilesh Jain , Gopi Krishna Jha , Viktor Prasanna

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

Large-scale atomistic computer simulations of materials heavily rely on interatomic potentials predicting the potential energy and Newtonian forces on atoms. Traditional interatomic potentials are based on physical intuition but contain few…

Materials Science · Physics 2019-06-11 G. P. Purja Pun , R. Batra , R. Ramprasad , Y. Mishin

Modern deep learning systems like PyTorch and Tensorflow are able to train enormous models with billions (or trillions) of parameters on a distributed infrastructure. These systems require that the internal nodes have the same memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-01 Yifan Ding , Nicholas Botzer , Tim Weninger

Interventions on model-internal states are fundamental operations in many areas of AI, including model editing, steering, robustness, and interpretability. To facilitate such research, we introduce $\textbf{pyvene}$, an open-source Python…

The goal of hyperparameter tuning (or hyperparameter optimization) is to optimize the hyperparameters to improve the performance of the machine or deep learning model. spotPython (``Sequential Parameter Optimization Toolbox in Python'') is…

Machine Learning · Computer Science 2023-06-08 Thomas Bartz-Beielstein

We present TorchAO, a PyTorch-native model optimization framework leveraging quantization and sparsity to provide an end-to-end, training-to-serving workflow for AI models. TorchAO supports a variety of popular model optimization…

In order to contrast the explosion in size of state-of-the-art machine learning models that can be attributed to the empirical advantages of over-parametrization, and due to the necessity of deploying fast, sustainable, and private…

Machine Learning · Computer Science 2020-04-30 Michela Paganini , Jessica Forde

In this paper, we introduce McTorch, a manifold optimization library for deep learning that extends PyTorch. It aims to lower the barrier for users wishing to use manifold constraints in deep learning applications, i.e., when the parameters…

Machine Learning · Statistics 2018-10-05 Mayank Meghwanshi , Pratik Jawanpuria , Anoop Kunchukuttan , Hiroyuki Kasai , Bamdev Mishra

Machine learning techniques allow a direct mapping of atomic positions and nuclear charges to the potential energy surface with almost ab-initio accuracy and the computational efficiency of empirical potentials. In this work we propose a…

Computational Physics · Physics 2021-09-16 Viktor Zaverkin , Johannes Kästner

The advent of the Transformer architecture has propelled the growth of natural language processing (NLP) models, leading to remarkable achievements in numerous NLP tasks. Yet, the absence of specialized hardware like expansive GPU memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-18 Xiaofeng Wu , Jia Rao , Wei Chen

Maximizing performance on available GPU hardware is an ongoing challenge for modern AI inference systems. Traditional approaches include writing custom GPU kernels and using specialized model compilers to tune high-level code for specific…

Multiagent Systems · Computer Science 2026-05-15 Kirill Nagaitsev , Luka Grbcic , Samuel Williams , Costin Iancu

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

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

TorchGAN is a PyTorch based framework for writing succinct and comprehensible code for training and evaluation of Generative Adversarial Networks. The framework's modular design allows effortless customization of the model architecture,…

Machine Learning · Computer Science 2021-11-22 Avik Pal , Aniket Das

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti