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Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and…

机器学习 · 计算机科学 2025-11-26 Haoran Zheng , Renchi Yang , Yubo Zhou , Jianliang Xu

Graph Neural Networks (GNNs) are powerful tools for learning representations on graphs, such as social networks. However, their vulnerability to privacy inference attacks restricts their practicality, especially in high-stake domains. To…

机器学习 · 计算机科学 2023-08-28 Tianyi Zhao , Hui Hu , Lu Cheng

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Compared to sequential learning models, graph-based neural networks exhibit some excellent properties, such as ability capturing global information. In this paper, we investigate graph-based neural networks for text classification problem.…

计算与语言 · 计算机科学 2020-02-27 Xien Liu , Xinxin You , Xiao Zhang , Ji Wu , Ping Lv

We introduce a novel encoder-decoder architecture to embed functional processes into latent vector spaces. This embedding can then be decoded to sample the encoded functions over any arbitrary domain. This autoencoder generalizes the…

机器学习 · 计算机科学 2018-12-14 Marcel Nassar , Xin Wang , Evren Tumer

Residual mappings have been shown to perform representation learning in the first layers and iterative feature refinement in higher layers. This interplay, combined with their stabilizing effect on the gradient norms, enables them to train…

A general graph-structured neural network architecture operates on graphs through two core components: (1) complex enough message functions; (2) a fixed information aggregation process. In this paper, we present the Policy Message Passing…

机器学习 · 计算机科学 2019-10-01 Zhiwei Deng , Greg Mori

Training deep graph neural networks (GNNs) poses a challenging task, as the performance of GNNs may suffer from the number of hidden message-passing layers. The literature has focused on the proposals of {over-smoothing} and…

机器学习 · 统计学 2023-02-27 Yirui Liu , Xinghao Qiao , Liying Wang , Jessica Lam

Message-Passing Neural Networks (MPNNs) have become a cornerstone for processing and analyzing graph-structured data. However, their effectiveness is often hindered by phenomena such as over-squashing, where long-range dependencies or…

机器学习 · 计算机科学 2025-05-30 Shahaf E. Finder , Ron Shapira Weber , Moshe Eliasof , Oren Freifeld , Eran Treister

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

机器学习 · 计算机科学 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis

Over the past decade, deep neural networks have proven to be adept in image classification tasks, often surpassing humans in terms of accuracy. However, standard neural networks often fail to understand the concept of hierarchical…

计算机视觉与模式识别 · 计算机科学 2022-06-15 Amitangshu Mukherjee , Isha Garg , Kaushik Roy

GNNs have been proven to perform highly effective in various node-level, edge-level, and graph-level prediction tasks in several domains. Existing approaches mainly focus on static graphs. However, many graphs change over time with their…

机器学习 · 计算机科学 2022-06-22 Bahareh Najafi , Saeedeh Parsaeefard , Alberto Leon-Garcia

Existing message passing neural networks for heterogeneous graphs rely on the concepts of meta-paths or meta-graphs due to the intrinsic nature of heterogeneous graphs. However, the meta-paths and meta-graphs need to be pre-configured…

机器学习 · 计算机科学 2022-10-27 Jiwoong Park , Jisu Jeong , Kyungmin Kim , Jin Young Choi

The creation of social ties is largely determined by the entangled effects of people's similarities in terms of individual characters and friends. However, feature and structural characters of people usually appear to be correlated, making…

机器学习 · 计算机科学 2019-10-30 Sébastien Lerique , Jacob Levy Abitbol , Márton Karsai

Peridynamics is a non-local continuum mechanics theory that offers unique advantages for modeling problems involving discontinuities and complex deformations. Within the peridynamic framework, various formulations exist, among which the…

计算物理 · 物理学 2024-11-15 Xuan Hu , Qijun Chen , Nicholas H. Luo , Richy J. Zheng , Shaofan Li

Existing representation learning methods in graph convolutional networks are mainly designed by describing the neighborhood of each node as a perceptual whole, while the implicit semantic associations behind highly complex interactions of…

人工智能 · 计算机科学 2021-01-19 Likang Wu , Zhi Li , Hongke Zhao , Qi Liu , Jun Wang , Mengdi Zhang , Enhong Chen

Most graph neural network models rely on a particular message passing paradigm, where the idea is to iteratively propagate node representations of a graph to each node in the direct neighborhood. While very prominent, this paradigm leads to…

机器学习 · 计算机科学 2023-01-24 Ralph Abboud , Radoslav Dimitrov , İsmail İlkan Ceylan

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

机器学习 · 计算机科学 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Graph neural networks (GNNs) are deep learning models designed specifically for graph data, and they typically rely on node features as the input to the first layer. When applying such a type of network on the graph without node features,…

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

机器学习 · 计算机科学 2025-09-26 Rahul Khorana