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In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

Chemical Physics · Physics 2022-04-06 Yaolong Zhang , Junfan Xia , Bin Jiang

Modern LLMs typically require multistage training pipelines to achieve strong downstream performance, with post-training serving as the main interface for adapting open-weight models. We introduce torchtune, a PyTorch-native library…

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 present PyTorch Frame, a PyTorch-based framework for deep learning over multi-modal tabular data. PyTorch Frame makes tabular deep learning easy by providing a PyTorch-based data structure to handle complex tabular data, introducing a…

Machine Learning · Computer Science 2024-12-17 Weihua Hu , Yiwen Yuan , Zecheng Zhang , Akihiro Nitta , Kaidi Cao , Vid Kocijan , Jinu Sunil , Jure Leskovec , Matthias Fey

We introduce TyXe, a Bayesian neural network library built on top of Pytorch and Pyro. Our leading design principle is to cleanly separate architecture, prior, inference and likelihood specification, allowing for a flexible workflow where…

Machine Learning · Statistics 2021-10-04 Hippolyt Ritter , Theofanis Karaletsos

Reservoir computers (RCs) are among the fastest to train of all neural networks, especially when they are compared to other recurrent neural networks. RC has this advantage while still handling sequential data exceptionally well. However,…

Machine Learning · Computer Science 2022-07-14 Hayden Joy , Marios Mattheakis , Pavlos Protopapas

We present a new open source python package, based on PyLightcurve and PyTorch, tailored for efficient computation and automatic differentiation of exoplanetary transits. The classes and functions implemented are fully vectorised, natively…

Earth and Planetary Astrophysics · Physics 2021-03-24 Mario Morvan , Angelos Tsiaras , Nikolaos Nikolaou , Ingo P. Waldmann

Complex-valued neural networks have emerged boasting superior modeling performance for many tasks across the signal processing, sensing, and communications arenas. However, developing complex-valued models currently demands development of…

Signal Processing · Electrical Eng. & Systems 2023-09-18 Josiah W. Smith

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

Scientific machine learning often requires combining known physics with unknown parameters or correction terms learned from data. Existing approaches either ignore known structure, encode it as a soft penalty, or require hand-written…

Machine Learning · Computer Science 2026-05-22 Lucas Sheneman

Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style…

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

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

We introduce PyText - a deep learning based NLP modeling framework built on PyTorch. PyText addresses the often-conflicting requirements of enabling rapid experimentation and of serving models at scale. It achieves this by providing simple…

Deep learning (DL) has become a cornerstone of modern machine learning (ML) praxis. We introduce the R package mlr3torch, which is an extensible DL framework for the mlr3 ecosystem. It is built upon the torch package, and simplifies the…

Machine Learning · Statistics 2026-04-21 Sebastian Fischer , Lukas Burk , Carson Zhang , Bernd Bischl , Martin Binder

This document is a follow-up to our previous paper dedicated to a vectorized derivation of backpropagation in CNNs. Following the same principles and notations already put in place there, we now focus on transformer-based…

Machine Learning · Computer Science 2025-12-30 Laurent Boué

In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created…

Machine Learning · Computer Science 2021-04-29 Manu Joseph

Neural networks are increasingly deployed in scientific, safety critical, and mission critical pipelines, yet verification and analysis are often performed outside the programming environment that defines and runs the model. This creates a…

Mathematical Software · Computer Science 2026-05-26 Robert Joseph George , Jennifer Cruden , Will Adkisson , Xiangru Zhong , Huan Zhang , Anima Anandkumar

The R package innsight offers a general toolbox for revealing variable-wise interpretations of deep neural networks' predictions with so-called feature attribution methods. Aside from the unified and user-friendly framework, the package…

Machine Learning · Statistics 2025-01-22 Niklas Koenen , Marvin N. Wright

Training modern deep learning models is increasingly constrained by GPU memory and compute limits. While Randomized Numerical Linear Algebra (RandNLA) offers proven techniques to compress these models, the lack of a unified,…

Machine Learning · Computer Science 2026-01-23 Fahd Seddik , Abdulrahman Elbedewy , Gaser Sami , Mohamed Abdelmoniem , Yahia Zakaria
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