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We investigate the power of message-passing neural networks (MPNNs) in their capacity to transform the numerical features stored in the nodes of their input graphs. Our focus is on global expressive power, uniformly over all input graphs,…

人工智能 · 计算机科学 2022-07-29 Floris Geerts , Jasper Steegmans , Jan Van den Bussche

Message-passing graph neural networks (MPGNNs) dominate modern graph learning. Typical efforts enhance MPGNN's expressive power by enriching the adjacency-based aggregation. In contrast, we introduce an efficient aggregation over walk…

机器学习 · 计算机科学 2025-09-29 Marek Černý

Graph neural networks (GNNs) are commonly divided into message-passing neural networks (MPNNs) and spectral graph neural networks, reflecting two largely separate research traditions in machine learning and signal processing. This paper…

Recently, many works studied the expressive power of graph neural networks (GNNs) by linking it to the $1$-dimensional Weisfeiler--Leman algorithm ($1\text{-}\mathsf{WL}$). Here, the $1\text{-}\mathsf{WL}$ is a well-studied heuristic for…

机器学习 · 计算机科学 2023-05-31 Christopher Morris , Floris Geerts , Jan Tönshoff , Martin Grohe

This paper presents a novel method for autonomously enhancing deep neural network training. My approach employs an Evaluation Neural Network (ENN) trained via deep reinforcement learning to predict the performance of the target network. The…

机器学习 · 计算机科学 2024-06-18 Ryohei Ino

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

机器学习 · 计算机科学 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Currently, most speaker recognition backends, such as cosine, linear discriminant analysis (LDA), or probabilistic linear discriminant analysis (PLDA), make decisions by calculating similarity or distance between enrollment and test…

音频与语音处理 · 电气工程与系统科学 2023-08-21 Liang He , Ruida Li , Mengqi Niu

This work provides the first theoretical study on the ability of graph Message Passing Neural Networks (gMPNNs) -- such as Graph Neural Networks (GNNs) -- to perform inductive out-of-distribution (OOD) link prediction tasks, where…

机器学习 · 计算机科学 2022-10-11 Yangze Zhou , Gitta Kutyniok , Bruno Ribeiro

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

机器学习 · 计算机科学 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

机器学习 · 计算机科学 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

计算与语言 · 计算机科学 2025-07-11 Fardin Rastakhiz

We define a generic class of functions that captures most conceivable aggregations for Message-Passing Graph Neural Networks (MP-GNNs), and prove that any MP-GNN model with such aggregations induces only a polynomial number of equivalence…

机器学习 · 计算机科学 2026-03-24 Eran Rosenbluth

Message passing neural networks have become a method of choice for learning on graphs, in particular the prediction of chemical properties and the acceleration of molecular dynamics studies. While they readily scale to large training data…

机器学习 · 计算机科学 2021-06-08 Kristof T. Schütt , Oliver T. Unke , Michael Gastegger

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

机器学习 · 计算机科学 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

Graph and hypergraph representation learning has attracted increasing attention from various research fields. Despite the decent performance and fruitful applications of Graph Neural Networks (GNNs), Hypergraph Neural Networks (HGNNs), and…

机器学习 · 计算机科学 2023-11-15 Minhao Zou , Zhongxue Gan , Yutong Wang , Junheng Zhang , Dongyan Sui , Chun Guan , Siyang Leng

Spatially embedded networks (SENs) represent a special type of complex graph, whose topologies are constrained by the networks' embedded spatial environments. The graph representation of such networks is thereby influenced by the embedded…

机器学习 · 计算机科学 2025-12-04 Xudong Fan , Jürgen Hackl

Computing efficiently a robust measure of similarity or dissimilarity between graphs is a major challenge in Pattern Recognition. The Graph Edit Distance (GED) is a flexible measure of dissimilarity between graphs which arises in…

数据结构与算法 · 计算机科学 2015-12-24 Sébastien Bougleux , Luc Brun , Vincenzo Carletti , Pasquale Foggia , Benoit Gaüzère , Mario Vento

Recently Transformer and Convolution neural network (CNN) based models have shown promising results in EEG signal processing. Transformer models can capture the global dependencies in EEG signals through a self-attention mechanism, while…

信号处理 · 电气工程与系统科学 2023-09-11 Chenyu Liu , Xinliang Zhou , Yang Liu

Leveraging Graph Neural Networks (GNNs) as graph encoders and aligning the resulting representations with Large Language Models (LLMs) through alignment instruction tuning has become a mainstream paradigm for constructing Graph Language…

机器学习 · 计算机科学 2026-05-13 Haibo Chen , Xin Wang , Jiaheng Chao , Ling Feng , Wenwu Zhu

Graph Neural Networks (GNNs) are a new research frontier with various applications and successes. The end-to-end inference for all nodes, is common for GNN embedding models, which are widely adopted in applications like recommendation and…

分布式、并行与集群计算 · 计算机科学 2025-03-06 Shiyang Chen , Xiang Song , Vasiloudis Theodore , Hang Liu
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