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We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

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

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

We investigate existence and nonexistence of action ground states and nodal action ground states for the nonlinear Schr\"odinger equation on noncompact metric graphs with rather general boundary conditions. We first obtain abstract…

Analysis of PDEs · Mathematics 2023-06-22 Colette De Coster , Simone Dovetta , Damien Galant , Enrico Serra , Christophe Troestler

Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…

Machine Learning · Computer Science 2022-03-16 Hao Jia , Junzhong Ji , Minglong Lei

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

Computer Vision and Pattern Recognition · Computer Science 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

Graph neural networks (GNNs) work well when the graph structure is provided. However, this structure may not always be available in real-world applications. One solution to this problem is to infer a task-specific latent structure and then…

Machine Learning · Computer Science 2021-11-02 Bahare Fatemi , Layla El Asri , Seyed Mehran Kazemi

The space of graphs is often characterised by a non-trivial geometry, which complicates learning and inference in practical applications. A common approach is to use embedding techniques to represent graphs as points in a conventional…

Machine Learning · Statistics 2024-03-26 Daniele Grattarola , Daniele Zambon , Cesare Alippi , Lorenzo Livi

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

Stability of graph neural networks (GNNs) characterizes how GNNs react to graph perturbations and provides guarantees for architecture performance in noisy scenarios. This paper develops a self-regularized graph neural network (SR-GNN)…

Signal Processing · Electrical Eng. & Systems 2022-11-15 Zhan Gao , Elvin Isufi

For scalable autonomous driving, a robust map-based localization system, independent of GPS, is fundamental. To achieve such map-based localization, online high-definition (HD) map construction plays a significant role in accurate…

Computer Vision and Pattern Recognition · Computer Science 2024-12-25 Juyeb Shin , Hyeonjun Jeong , Francois Rameau , Dongsuk Kum

In this paper, we introduce a shallow (one-hidden-layer) physics-informed neural network for solving partial differential equations on static and evolving surfaces. For the static surface case, with the aid of level set function, the…

Numerical Analysis · Mathematics 2025-03-20 Wei-Fan Hu , Yi-Jun Shih , Te-Sheng Lin , Ming-Chih Lai

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

Dynamics on and of networks refer to changes in topology and node-associated signals, respectively and are pervasive in many socio-technological systems, including social, biological, and infrastructure networks. Due to practical…

Signal Processing · Electrical Eng. & Systems 2025-06-11 Bishwadeep Das , Andrei Buciulea , Antonio G. Marques , Elvin Isufi

This paper analyzes neural networks through graph variables and statistical sufficiency. We interpret neural network layers as graph-based transformations, where neurons act as pairwise functions between inputs and learned anchor points.…

Machine Learning · Computer Science 2025-08-11 Cencheng Shen , Yuexiao Dong

Many material response functions depend strongly on microstructure, such as inhomogeneities in phase or orientation. Homogenization presents the task of predicting the mean response of a sample of the microstructure to external loading for…

Machine Learning · Computer Science 2022-10-04 Reese Jones , Cosmin Safta , Ari Frankel

Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…

Machine Learning · Statistics 2019-04-23 Sandeep Kumar , Jiaxi Ying , José Vinícius de M. Cardoso , Daniel Palomar

Transformers often fail to learn generalizable algorithms, instead relying on brittle heuristics. Using graph connectivity as a testbed, we explain this phenomenon both theoretically and empirically. We consider a simplified Transformer…

Machine Learning · Computer Science 2026-02-19 Qilin Ye , Deqing Fu , Robin Jia , Vatsal Sharan

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan