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It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Whereas deep neural networks were first mostly used for classification tasks, they are rapidly expanding in the realm of structured output problems, where the observed target is composed of multiple random variables that have a rich joint…

Neural and Evolutionary Computing · Computer Science 2016-11-15 Kyunghyun Cho , Aaron Courville , Yoshua Bengio

The Neural Tangent Kernel (NTK) characterizes the behavior of infinitely wide neural nets trained under least squares loss by gradient descent. However, despite its importance, the super-quadratic runtime of kernel methods limits the use of…

Machine Learning · Computer Science 2021-07-28 Amir Zandieh

Recent theoretical works based on the neural tangent kernel (NTK) have shed light on the optimization and generalization of over-parameterized networks, and partially bridge the gap between their practical success and classical learning…

Machine Learning · Computer Science 2020-08-10 Kyung-Su Kim , Aurélie C. Lozano , Eunho Yang

The neural attention mechanism has been incorporated into deep neural networks to achieve state-of-the-art performance in various domains. Most such models use multi-head self-attention which is appealing for the ability to attend to…

Machine Learning · Computer Science 2021-10-26 Shujian Zhang , Xinjie Fan , Huangjie Zheng , Korawat Tanwisuth , Mingyuan Zhou

Recent trends of incorporating attention mechanisms in vision have led researchers to reconsider the supremacy of convolutional layers as a primary building block. Beyond helping CNNs to handle long-range dependencies, Ramachandran et al.…

Machine Learning · Computer Science 2020-01-13 Jean-Baptiste Cordonnier , Andreas Loukas , Martin Jaggi

The capacity of neural networks like the widely adopted transformer is known to be very high. Evidence is emerging that they learn successfully due to inductive bias in the training routine, typically a variant of gradient descent (GD). To…

Machine Learning · Computer Science 2023-03-09 William Merrill , Vivek Ramanujan , Yoav Goldberg , Roy Schwartz , Noah Smith

Whilst deep neural networks have shown great empirical success, there is still much work to be done to understand their theoretical properties. In this paper, we study the relationship between random, wide, fully connected, feedforward…

Machine Learning · Statistics 2018-08-17 Alexander G. de G. Matthews , Mark Rowland , Jiri Hron , Richard E. Turner , Zoubin Ghahramani

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…

Machine Learning · Computer Science 2025-04-08 Wenzhong Yan , Feng Yin , Juntao Wang , Geert Leus , Abdelhak M. Zoubir , Yang Tian

We study nonparametric regression by an over-parameterized two-layer neural network trained by gradient descent (GD) in this paper. We show that, if the neural network is trained by GD with early stopping, then the trained network renders a…

Machine Learning · Statistics 2025-11-07 Yingzhen Yang , Ping Li

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Machine Learning · Computer Science 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

It is well known that artificial neural networks initialized from independent and identically distributed priors converge to Gaussian processes in the limit of a large number of neurons per hidden layer. In this work we prove an analogous…

Quantum Physics · Physics 2025-07-25 Diego García-Martín , Martin Larocca , M. Cerezo

Neural networks equipped with self-attention have parallelizable computation, light-weight structure, and the ability to capture both long-range and local dependencies. Further, their expressive power and performance can be boosted by using…

Computation and Language · Computer Science 2019-03-27 Tao Shen , Tianyi Zhou , Guodong Long , Jing Jiang , Chengqi Zhang

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

Machine Learning · Computer Science 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov

This article studies the infinite-width limit of deep feedforward neural networks whose weights are dependent, and modelled via a mixture of Gaussian distributions. Each hidden node of the network is assigned a nonnegative random variable…

Machine Learning · Statistics 2025-02-06 Hoil Lee , Fadhel Ayed , Paul Jung , Juho Lee , Hongseok Yang , François Caron

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Multi-task regression attempts to exploit the task similarity in order to achieve knowledge transfer across related tasks for performance improvement. The application of Gaussian process (GP) in this scenario yields the non-parametric yet…

Machine Learning · Statistics 2021-09-21 Haitao Liu , Jiaqi Ding , Xinyu Xie , Xiaomo Jiang , Yusong Zhao , Xiaofang Wang

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al.…

Machine Learning · Statistics 2024-02-27 Edward Milsom , Ben Anson , Laurence Aitchison

We present an attention-based spatial graph convolution (AGC) for graph neural networks (GNNs). Existing AGCs focus on only using node-wise features and utilizing one type of attention function when calculating attention weights. Instead,…

Computer Vision and Pattern Recognition · Computer Science 2023-03-06 Yang Li , Yuichi Tanaka

We introduce a novel approach to endowing neural networks with emergent, long-term, large-scale memory. Distinct from strategies that connect neural networks to external memory banks via intricately crafted controllers and hand-designed…

Machine Learning · Computer Science 2020-08-18 Tri Huynh , Michael Maire , Matthew R. Walter