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Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems…

Accelerator Physics · Physics 2024-05-30 Jan Kaiser , Chenran Xu , Annika Eichler , Andrea Santamaria Garcia

We introduce PyTorch Geometric High Order (PyGHO), a library for High Order Graph Neural Networks (HOGNNs) that extends PyTorch Geometric (PyG). Unlike ordinary Message Passing Neural Networks (MPNNs) that exchange messages between nodes,…

Machine Learning · Computer Science 2023-11-29 Xiyuan Wang , Muhan Zhang

This paper proposes a deep autoencoder model based on Pytorch. This algorithm introduces the idea of Pytorch into the auto-encoder, and randomly clears the input weights connected to the hidden layer neurons with a certain probability, so…

Machine Learning · Computer Science 2022-08-18 Junan Pan , Zhihao Zhao

Deep learning (DL) has become an integral part of solutions to various important problems, which is why ensuring the quality of DL systems is essential. One of the challenges of achieving reliability and robustness of DL software is to…

Machine Learning · Computer Science 2022-02-09 E. Kloberdanz , K. G. Kloberdanz , W. Le

Iterative solvers are frequently used in scientific applications and engineering computations. However, the memory-bound Sparse Matrix-Vector (SpMV) kernel computation hinders the efficiency of iterative algorithms. As modern hardware…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-08 Jianhua Gao , Jiayuan Shen , Yuxiang Zhang , Weixing Ji , Hua Huang

Precision measurements at the LHC often require analyzing high-dimensional event data for subtle kinematic signatures, which is challenging for established analysis methods. Recently, a powerful family of multivariate inference techniques…

High Energy Physics - Phenomenology · Physics 2020-01-22 Johann Brehmer , Felix Kling , Irina Espejo , Kyle Cranmer

Development systems for deep learning (DL), such as Theano, Torch, TensorFlow, or MXNet, are easy-to-use tools for creating complex neural network models. Since gradient computations are automatically baked in, and execution is mapped to…

Mathematical Software · Computer Science 2019-08-15 Matthias Seeger , Asmus Hetzel , Zhenwen Dai , Eric Meissner , Neil D. Lawrence

Deep learning models typically use single-precision (FP32) floating point data types for representing activations and weights, but a slew of recent research work has shown that computations with reduced-precision data types (FP16, 16-bit…

Machine Learning · Computer Science 2021-01-15 Daya Khudia , Jianyu Huang , Protonu Basu , Summer Deng , Haixin Liu , Jongsoo Park , Mikhail Smelyanskiy

This paper proposes a multilinear discriminant analysis network (MLDANet) for the recognition of multidimensional objects, known as tensor objects. The MLDANet is a variation of linear discriminant analysis network (LDANet) and principal…

Computer Vision and Pattern Recognition · Computer Science 2014-11-06 Rui Zeng , Jiasong Wu , Lotfi Senhadji , Huazhong Shu

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as…

Modern deep learning architectures are ordinarily performed on high-performance computing facilities due to the large size of the input features and complexity of its model. This paper proposes traditional multilayer perceptrons (MLP) with…

Audio and Speech Processing · Electrical Eng. & Systems 2022-09-28 Bagus Tris Atmaja , Masato Akagi

State-of-the-art deep learning systems such as TensorFlow and PyTorch tightly couple the model with the underlying hardware. This coupling requires the user to modify application logic in order to run the same job across a different set of…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-13 Andrew Or , Haoyu Zhang , Michael J. Freedman

Decentralised Machine Learning (DML) enables collaborative machine learning without centralised input data. Federated Learning (FL) and Edge Inference are examples of DML. While tools for DML (especially FL) are starting to flourish, many…

Matrix multiplication is a fundamental operation in both training of neural networks and inference. To accelerate matrix multiplication, Graphical Processing Units (GPUs) provide it implemented in hardware. Due to the increased throughput…

Mathematical Software · Computer Science 2026-04-07 Faizan A. Khattak , Mantas Mikaitis

Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…

The proliferation of low-precision units in modern high-performance architectures increasingly burdens domain scientists. Historically, the choice in HPC was easy: can we get away with 32 bit floating-point operations and lower bandwidth…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-23 Faveo Hoerold , Ivan R. Ivanov , Akash Dhruv , William S. Moses , Anshu Dubey , Mohamed Wahib , Jens Domke

This work is a rigorous development of a complete and general-purpose deep learning framework from the ground up. The fundamental components of deep learning - automatic differentiation and gradient methods of optimizing multivariable…

Mathematical Software · Computer Science 2020-11-18 Andrei Nicolae

We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…

Machine Learning · Computer Science 2023-09-01 Santiago Miret , Kin Long Kelvin Lee , Carmelo Gonzales , Marcel Nassar , Matthew Spellings

We present MLRG Deep Curvature suite, a PyTorch-based, open-source package for analysis and visualisation of neural network curvature and loss landscape. Despite of providing rich information into properties of neural network and useful for…

Machine Learning · Statistics 2020-05-26 Diego Granziol , Xingchen Wan , Timur Garipov

The success and popularity of deep learning is on the rise, partially due to powerful deep learning frameworks such as TensorFlow and PyTorch that make it easier to develop deep learning models. However, these libraries also come with steep…

Programming Languages · Computer Science 2022-04-11 Kensen Shi , David Bieber , Rishabh Singh