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We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while…

Machine Learning · Computer Science 2021-03-04 Keyulu Xu , Mozhi Zhang , Jingling Li , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Machine Learning · Computer Science 2023-09-06 Oscar Pina , Verónica Vilaplana

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

We introduce Graph Neural Processes (GNP), inspired by the recent work in conditional and latent neural processes. A Graph Neural Process is defined as a Conditional Neural Process that operates on arbitrary graph data. It takes features of…

Machine Learning · Computer Science 2019-10-03 Andrew Carr , David Wingate

Graph neural networks (GNNs) have achieved superior performance on node classification tasks in the last few years. Commonly, this is framed in a transductive semi-supervised learning setup wherein the entire graph, including the target…

Machine Learning · Computer Science 2021-10-11 Artun Bayer , Arindam Chowdhury , Santiago Segarra

Many NLP applications can be framed as a graph-to-sequence learning problem. Previous work proposing neural architectures on this setting obtained promising results compared to grammar-based approaches but still rely on linearisation…

Computation and Language · Computer Science 2018-06-27 Daniel Beck , Gholamreza Haffari , Trevor Cohn

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

Machine Learning · Computer Science 2024-06-24 A. Martina Neuman , Jason J. Bramburger

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph neural networks (GNNs) are powerful tools for developing scalable, decentralized artificial intelligence in large-scale networked systems, such as wireless networks, power grids, and transportation networks. Currently, GNNs in…

Machine Learning · Computer Science 2024-12-10 Rostyslav Olshevskyi , Zhongyuan Zhao , Kevin Chan , Gunjan Verma , Ananthram Swami , Santiago Segarra

Graph neural networks (GNNs) have emerged as the standard method for numerous tasks on graph-structured data such as node classification. However, real-world graphs are often evolving over time and even new classes may arise. We model these…

Machine Learning · Computer Science 2021-12-21 Lukas Galke , Benedikt Franke , Tobias Zielke , Ansgar Scherp

Graph Neural Networks (GNNs) have demonstrated their effectiveness in various graph learning tasks, yet their reliance on neighborhood aggregation during inference poses challenges for deployment in latency-sensitive applications, such as…

Machine Learning · Computer Science 2024-12-09 Zehong Wang , Zheyuan Zhang , Chuxu Zhang , Yanfang Ye

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

Machine Learning · Computer Science 2025-02-04 Qin Jiang , Chengjia Wang , Michael Lones , Wei Pang

Recently Graph Neural Network (GNN) has been applied successfully to various NLP tasks that require reasoning, such as multi-hop machine reading comprehension. In this paper, we consider a novel case where reasoning is needed over graphs…

Computation and Language · Computer Science 2020-04-13 Ming Tu , Jing Huang , Xiaodong He , Bowen Zhou

As the performance of computer systems stagnates due to the end of Moore's Law, there is a need for new models that can understand and optimize the execution of general purpose code. While there is a growing body of work on using Graph…

Machine Learning · Computer Science 2020-03-12 Zhan Shi , Kevin Swersky , Daniel Tarlow , Parthasarathy Ranganathan , Milad Hashemi