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Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects from a given probability distribution, potentially known up to a normalizing constant. Instead of working in the object space, GFlowNets…

Machine Learning · Computer Science 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

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

With the growth of large language models, now incorporating billions of parameters, the hardware prerequisites for their training and deployment have seen a corresponding increase. Although existing tools facilitate model parallelization…

Machine Learning · Computer Science 2023-12-07 Matthew Choi , Muhammad Adil Asif , John Willes , David Emerson

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Recent years have witnessed the booming of various differentiable optimization algorithms. These algorithms exhibit different execution patterns, and their execution needs massive computational resources that go beyond a single CPU and GPU.…

Mathematical Software · Computer Science 2022-11-15 Jie Ren , Xidong Feng , Bo Liu , Xuehai Pan , Yao Fu , Luo Mai , Yaodong Yang

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 builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…

Machine Learning · Computer Science 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , Yoshua Bengio

The literature on structured prediction for NLP describes a rich collection of distributions and algorithms over sequences, segmentations, alignments, and trees; however, these algorithms are difficult to utilize in deep learning…

Computation and Language · Computer Science 2020-02-04 Alexander M. Rush

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

Machine learning (ML) libraries such as PyTorch and TensorFlow are essential for a wide range of modern applications. Ensuring the correctness of ML libraries through testing is crucial. However, ML APIs often impose strict input…

Software Engineering · Computer Science 2025-10-13 Lukas Krodinger , Altin Hajdari , Stephan Lukasczyk , Gordon Fraser

Model-based reinforcement learning is a compelling framework for data-efficient learning of agents that interact with the world. This family of algorithms has many subcomponents that need to be carefully selected and tuned. As a result the…

Artificial Intelligence · Computer Science 2021-04-21 Luis Pineda , Brandon Amos , Amy Zhang , Nathan O. Lambert , Roberto Calandra

Recurrent neural networks (RNNs) are a cornerstone of sequence modeling across various scientific and industrial applications. Owing to their versatility, numerous RNN variants have been proposed over the past decade, aiming to improve the…

Machine Learning · Computer Science 2025-10-27 Francesco Martinuzzi

Continual learning enables the incremental training of machine learning models on non-stationary data streams.While academic interest in the topic is high, there is little indication of the use of state-of-the-art continual learning…

Machine Learning · Computer Science 2023-04-25 Martin Wistuba , Martin Ferianc , Lukas Balles , Cedric Archambeau , Giovanni Zappella

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

DORAEMON is an open-source PyTorch library that unifies visual object modeling and representation learning across diverse scales. A single YAML-driven workflow covers classification, retrieval and metric learning; more than 1000 pretrained…

Computer Vision and Pattern Recognition · Computer Science 2025-11-07 Ke Du , Yimin Peng , Chao Gao , Fan Zhou , Siqiao Xue

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

TF.Learn is a high-level Python module for distributed machine learning inside TensorFlow. It provides an easy-to-use Scikit-learn style interface to simplify the process of creating, configuring, training, evaluating, and experimenting a…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-12-14 Yuan Tang

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

Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects from a given unnormalized reward distribution. They can generate diverse sets of high-reward objects,…

Machine Learning · Computer Science 2023-10-06 Ling Pan , Moksh Jain , Kanika Madan , Yoshua Bengio
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