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Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

A key challenge facing deep learning is that neural networks are often not robust to shifts in the underlying data distribution. We study this problem from the perspective of the statistical concept of parameter identification.…

Machine Learning · Computer Science 2022-02-18 Kan Xu , Hamsa Bastani , Osbert Bastani

Equivariant neural networks play a pivotal role in analyzing datasets with symmetry properties, particularly in complex data structures. However, integrating equivariance with Markov properties presents notable challenges due to the…

Machine Learning · Statistics 2025-03-04 Hui Li , Zhiguo Wang , Bohui Chen , Li Sheng

While various complexity measures for deep neural networks exist, specifying an appropriate measure capable of predicting and explaining generalization in deep networks has proven challenging. We propose Neural Complexity (NC), a…

Machine Learning · Computer Science 2020-10-26 Yoonho Lee , Juho Lee , Sung Ju Hwang , Eunho Yang , Seungjin Choi

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and…

Machine Learning · Computer Science 2021-09-22 Wenzheng Feng , Jie Zhang , Yuxiao Dong , Yu Han , Huanbo Luan , Qian Xu , Qiang Yang , Evgeny Kharlamov , Jie Tang

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

Spectral graph neural networks learn graph filters, but their behavior with increasing depth and polynomial order is not well understood. We analyze these models in the graph Fourier domain, where each layer becomes an element-wise…

Machine Learning · Computer Science 2026-04-02 Vahan A. Martirosyan , Daniele Malitesta , Hugues Talbot , Jhony H. Giraldo , Fragkiskos D. Malliaros

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on…

Machine Learning · Statistics 2017-10-11 Madhu S. Advani , Andrew M. Saxe

In this paper, we derive generalization bounds for the two primary classes of graph neural networks (GNNs), namely graph convolutional networks (GCNs) and message passing GNNs (MPGNNs), via a PAC-Bayesian approach. Our result reveals that…

Machine Learning · Computer Science 2020-12-15 Renjie Liao , Raquel Urtasun , Richard Zemel

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Generative adversarial networks (GANs) are so complex that the existing learning theories do not provide a satisfactory explanation for why GANs have great success in practice. The same situation also remains largely open for deep neural…

Machine Learning · Computer Science 2022-02-15 Khoat Than , Nghia Vu

One of the fundamental challenges in the deep learning community is to theoretically understand how well a deep neural network generalizes to unseen data. However, current approaches often yield generalization bounds that are either too…

Machine Learning · Computer Science 2024-07-23 Chengli Tan , Jiangshe Zhang , Junmin Liu

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

Machine Learning · Computer Science 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…

Machine Learning · Computer Science 2022-02-03 Nishai Kooverjee , Steven James , Terence van Zyl

This paper introduces a generalization of Convolutional Neural Networks (CNNs) from low-dimensional grid data, such as images, to graph-structured data. We propose a novel spatial convolution utilizing a random walk to uncover the relations…

Machine Learning · Statistics 2017-04-27 Yotam Hechtlinger , Purvasha Chakravarti , Jining Qin

Although overparameterized models have achieved remarkable practical success, their theoretical properties, particularly their generalization behavior, remain incompletely understood. The well known double descents phenomenon suggests that…

Machine Learning · Statistics 2026-01-06 Haoran Zhan , Yingcun Xia

Neural networks typically generalize well when fitting the data perfectly, even though they are heavily overparameterized. Many factors have been pointed out as the reason for this phenomenon, including an implicit bias of stochastic…

Machine Learning · Computer Science 2025-02-04 Amit Peleg , Matthias Hein

Many interesting problems in machine learning are being revisited with new deep learning tools. For graph-based semisupervised learning, a recent important development is graph convolutional networks (GCNs), which nicely integrate local…

Machine Learning · Computer Science 2018-01-24 Qimai Li , Zhichao Han , Xiao-Ming Wu

Much attention has been devoted recently to the generalization puzzle in deep learning: large, deep networks can generalize well, but existing theories bounding generalization error are exceedingly loose, and thus cannot explain this…

Machine Learning · Statistics 2019-01-08 Andrew K. Lampinen , Surya Ganguli

While deep learning is successful in a number of applications, it is not yet well understood theoretically. A satisfactory theoretical characterization of deep learning however, is beginning to emerge. It covers the following questions: 1)…

Machine Learning · Computer Science 2019-08-27 Tomaso Poggio , Andrzej Banburski , Qianli Liao
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