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Predictions over graphs play a crucial role in various domains, including social networks and medicine. Graph Neural Networks (GNNs) have emerged as the dominant approach for learning on graph data. Although a graph-structure is provided as…

Machine Learning · Computer Science 2024-02-27 Maya Bechler-Speicher , Ido Amos , Ran Gilad-Bachrach , Amir Globerson

Can we build continuous generative models which generalize across scales, can be evaluated at any coordinate, admit calculation of exact derivatives, and are conceptually simple? Existing MLP-based architectures generate worse samples than…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 AmirEhsan Khorashadizadeh , Anadi Chaman , Valentin Debarnot , Ivan Dokmanić

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph Neural Networks (GNNs) are a new and increasingly popular family of deep neural network architectures to perform learning on graphs. Training them efficiently is challenging due to the irregular nature of graph data. The problem…

Machine Learning · Computer Science 2021-06-15 Marco Serafini , Hui Guan

We study the training of deep neural networks by gradient descent where floating-point arithmetic is used to compute the gradients. In this framework and under realistic assumptions, we demonstrate that it is highly unlikely to find ReLU…

Machine Learning · Computer Science 2023-11-16 Clemens Karner , Vladimir Kazeev , Philipp Christian Petersen

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

The de facto algorithm for training the back pass of a feedforward neural network is backpropagation (BP). The use of almost-everywhere differentiable activation functions made it efficient and effective to propagate the gradient backwards…

Neural and Evolutionary Computing · Computer Science 2022-06-14 John Waldo

Graph Neural Networks (GNNs) have shown promising results in modeling graphs in various tasks. The training of GNNs, especially on specialized tasks such as bioinformatics, demands extensive expert annotations, which are expensive and…

Machine Learning · Computer Science 2025-05-27 Minhua Lin , Enyan Dai , Junjie Xu , Jinyuan Jia , Xiang Zhang , Suhang Wang

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from…

Machine Learning · Computer Science 2025-05-01 Damien Teney , Armand Nicolicioiu , Valentin Hartmann , Ehsan Abbasnejad

Machine learning has revolutionized materials property prediction, yet fails catastrophically when extrapolating beyond training distributions-precisely the capability required for discovering unprecedented materials. Graph neural networks…

Materials Science · Physics 2026-02-23 Tasuku Sugiura , Teruyasu Mizoguchi

Despite -- or maybe because of -- their astonishing capacity to fit data, neural networks are believed to have difficulties extrapolating beyond training data distribution. This work shows that, for extrapolations based on finite…

Machine Learning · Computer Science 2021-04-21 S Chandra Mouli , Bruno Ribeiro

It is frequently observed that overparameterized neural networks generalize well. Regarding such phenomena, existing theoretical work mainly devotes to linear settings or fully-connected neural networks. This paper studies the learning…

Machine Learning · Statistics 2023-08-17 Tian-Yi Zhou , Xiaoming Huo

In recent years, there has been a surge in applying deep learning to various challenging design problems in communication networks. The early attempts adopt neural architectures inherited from applications such as computer vision, which…

Information Theory · Computer Science 2022-03-22 Yifei Shen , Jun Zhang , Khaled B. Letaief

Overparameterization in deep learning typically refers to settings where a trained neural network (NN) has representational capacity to fit the training data in many ways, some of which generalize well, while others do not. In the case of…

Machine Learning · Computer Science 2023-03-24 Edo Cohen-Karlik , Itamar Menuhin-Gruman , Raja Giryes , Nadav Cohen , Amir Globerson

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

Machine Learning · Computer Science 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

This paper presents a new family of backpropagation-free neural architectures, Gated Linear Networks (GLNs). What distinguishes GLNs from contemporary neural networks is the distributed and local nature of their credit assignment mechanism;…

Deep learning has exhibited remarkable results across diverse areas. To understand its success, substantial research has been directed towards its theoretical foundations. Nevertheless, the majority of these studies examine how well deep…

Machine Learning · Statistics 2024-06-11 Hao Liu , Jiahui Cheng , Wenjing Liao

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…

Machine Learning · Computer Science 2020-12-08 Qunwei Li , Shaofeng Zou , Wenliang Zhong

Transfer learning from pre-trained neural language models towards downstream tasks has been a predominant theme in NLP recently. Several researchers have shown that deep NLP models learn non-trivial amount of linguistic knowledge, captured…

Computation and Language · Computer Science 2021-06-01 Nadir Durrani , Hassan Sajjad , Fahim Dalvi