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We study the generalization capabilities of Message Passing Neural Networks (MPNNs), a prevalent class of Graph Neural Networks (GNN). We derive generalization bounds specifically for MPNNs with normalized sum aggregation and mean…

Machine Learning · Computer Science 2024-04-05 Sohir Maskey , Gitta Kutyniok , Ron Levie

Recent advancements in graph representation learning have led to the emergence of condensed encodings that capture the main properties of a graph. However, even though these abstract representations are powerful for downstream tasks, they…

Machine Learning · Computer Science 2020-02-21 Cristian Bodnar , Cătălina Cangea , Pietro Liò

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Graph neural networks (GNNs) have achieved significant progress in graph-based learning tasks, yet their performance often deteriorates when facing heterophilous structures where connected nodes differ substantially in features and labels.…

Machine Learning · Computer Science 2025-11-13 Xuanze Chen , Jiajun Zhou , Yadong Li , Jinsong Chen , Shanqing Yu , Qi Xuan

With the proliferation of Graph Neural Network (GNN) methods stemming from contrastive learning, unsupervised node representation learning for graph data is rapidly gaining traction across various fields, from biology to molecular dynamics,…

Machine Learning · Computer Science 2024-08-01 Jihee You , So Won Jeong , Claire Donnat

Deep neural networks process data through a cascade of representations: input features, hidden activations, logits, and loss. While perturbations at the input, logit, and label levels have been systematically studied, the intermediate…

Machine Learning · Computer Science 2026-05-29 Hua Li

Graph-structured data exhibit substantial heterogeneity in where their predictive signals originate: in some domains, node-level semantics dominate, while in others, structural patterns play a central role. This structure-semantics…

Computation and Language · Computer Science 2026-04-03 Safal Thapaliya , Zehong Wang , Jiazheng Li , Ziming Li , Yanfang Ye , Chuxu Zhang

In this work we use the persistent homology method, a technique in topological data analysis (TDA), to extract essential topological features from the data space and combine them with deep learning features for classification tasks. In TDA,…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Mariana Dória Prata Lima , Gilson Antonio Giraldi , Gastão Florêncio Miranda Junior

Tabular data is arguably one of the most commonly used data structures in various practical domains, including finance, healthcare and e-commerce. The inherent heterogeneity allows tabular data to store rich information. However, based on a…

Machine Learning · Computer Science 2023-06-01 Kuan-Yu Chen , Ping-Han Chiang , Hsin-Rung Chou , Ting-Wei Chen , Tien-Hao Chang

Graph neural networks (GNNs) based on message passing between neighboring nodes are known to be insufficient for capturing long-range interactions in graphs. In this project we study hierarchical message passing models that leverage a…

Machine Learning · Computer Science 2021-08-17 Ladislav Rampášek , Guy Wolf

Applying network science approaches to investigate the functions and anatomy of the human brain is prevalent in modern medical imaging analysis. Due to the complex network topology, for an individual brain, mining a discriminative network…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Wen Zhang , Liang Zhan , Paul Thompson , Yalin Wang

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Deep neural networks (DNNs) have demonstrated remarkable success, yet their wide adoption is often hindered by their opaque decision-making. To address this, attribution methods have been proposed to assign relevance values to each part of…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Danielle Cohen , Hila Chefer , Lior Wolf

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

In this paper, we propose a novel hierarchical representation via message propagation (HRMP) method for robust model fitting, which simultaneously takes advantages of both the consensus analysis and the preference analysis to estimate the…

Computer Vision and Pattern Recognition · Computer Science 2021-01-01 Shuyuan Lin , Xing Wang , Guobao Xiao , Yan Yan , Hanzi Wang

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

Machine Learning · Computer Science 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

Graph Neural Networks (GNNs) typically scale with the number of graph edges, making them well suited for sparse graphs but less efficient on dense graphs, such as point clouds or molecular interactions. A common remedy is to sparsify the…

Machine Learning · Computer Science 2025-12-03 Shiyu Chen , Ningyuan Huang , Soledad Villar

Graph-structured data are ubiquitous. However, graphs encode diverse types of information and thus play different roles in data representation. In this paper, we distinguish the \textit{representational} and the \textit{correlational} roles…

Machine Learning · Computer Science 2021-03-22 Jiaqi Ma , Bo Chang , Xuefei Zhang , Qiaozhu Mei

Graph convolution networks (GCNs) have been enormously successful in learning representations over several graph-based machine learning tasks. Specific to learning rich node representations, most of the methods have solely relied on the…

Machine Learning · Computer Science 2022-11-03 Ashish Tiwari , Sresth Tosniwal , Shanmuganathan Raman

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data…

Machine Learning · Computer Science 2018-11-26 Hongyu Guo , Yongyi Mao , Richong Zhang