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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,…

Artificial Intelligence · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Audio and Speech Processing · Electrical Eng. & Systems 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Data Structures and Algorithms · Computer Science 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…

Signal Processing · Electrical Eng. & Systems 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…

Machine Learning · Computer Science 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…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-06 Shiyang Chen , Xiang Song , Vasiloudis Theodore , Hang Liu
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