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Graph neural architecture search (GNAS) can customize high-performance graph neural network architectures for specific graph tasks or datasets. However, existing GNAS methods begin searching for architectures from a zero-knowledge state,…

Neural and Evolutionary Computing · Computer Science 2024-11-27 Chao Wang , Jiaxuan Zhao , Lingling Li , Licheng Jiao , Fang Liu , Xu Liu , Shuyuan Yang

Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually…

Machine Learning · Computer Science 2024-05-06 Xin Wang , Ziwei Zhang , Haoyang Li , Wenwu Zhu

Architecture design has become a crucial component of successful deep learning. Recent progress in automatic neural architecture search (NAS) shows a lot of promise. However, discovered architectures often fail to generalize in the final…

Machine Learning · Computer Science 2020-04-03 Guohao Li , Guocheng Qian , Itzel C. Delgadillo , Matthias Müller , Ali Thabet , Bernard Ghanem

Neural architecture search has attracted wide attentions in both academia and industry. To accelerate it, researchers proposed weight-sharing methods which first train a super-network to reuse computation among different operators, from…

Machine Learning · Computer Science 2020-12-16 Xin Chen , Lingxi Xie , Jun Wu , Longhui Wei , Yuhui Xu , Qi Tian

Neural Architecture Search (NAS) has recently gained increased attention, as a class of approaches that automatically searches in an input space of network architectures. A crucial part of the NAS pipeline is the encoding of the…

Machine Learning · Computer Science 2021-08-18 Michail Chatzianastasis , George Dasoulas , Georgios Siolas , Michalis Vazirgiannis

Graph Neural Networks (GNNs) have shown significant success for graph-based tasks. Motivated by the prevalence of large datasets in real-world applications, pooling layers are crucial components of GNNs. By reducing the size of input…

Machine Learning · Computer Science 2026-01-13 Katharina Limbeck , Lydia Mezrag , Guy Wolf , Bastian Rieck

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Performance prediction has been a key part of the neural architecture search (NAS) process, allowing to speed up NAS algorithms by avoiding resource-consuming network training. Although many performance predictors correlate well with ground…

Machine Learning · Computer Science 2024-08-14 Gabriela Kadlecová , Jovita Lukasik , Martin Pilát , Petra Vidnerová , Mahmoud Safari , Roman Neruda , Frank Hutter

Weight-sharing Neural Architecture Search (WS-NAS) provides an efficient mechanism for developing end-to-end deep recommender models. However, in complex search spaces, distinguishing between superior and inferior architectures (or paths)…

Machine Learning · Computer Science 2023-11-01 Yufan Cao , Tunhou Zhang , Wei Wen , Feng Yan , Hai Li , Yiran Chen

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Graph Neural Networks (GNNs) have shown promising results in various tasks, among which link prediction is an important one. GNN models usually follow a node-centric message passing procedure that aggregates the neighborhood information to…

Machine Learning · Computer Science 2022-01-17 Baole Ai , Zhou Qin , Wenting Shen , Yong Li

Neural Architecture Search (NAS) automates the design of high-performing neural networks but typically targets a single predefined task, thereby restricting its real-world applicability. To address this, Meta Neural Architecture Search…

Machine Learning · Computer Science 2025-08-14 Zijun Sun , Yanning Shen

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

Our algorithm GNN: Graph Neural Network and Large Language Model for Data Discovery inherit the benefits of \cite{hoang2024plod} (PLOD: Predictive Learning Optimal Data Discovery), \cite{Hoang2024BODBO} (BOD: Blindly Optimal Data Discovery)…

Databases · Computer Science 2024-08-28 Thomas Hoang

Neural architecture search enables automation of architecture design. Despite its success, it is computationally costly and does not provide an insight on how to design a desirable architecture. Here we propose a new way of searching neural…

Machine Learning · Computer Science 2021-12-16 Zhenhan Huang , Chunheng Jiang , Pin-Yu Chen , Jianxi Gao

Graph Neural Architecture Search (GNAS) has achieved superior performance on various graph-structured tasks. However, existing GNAS studies overlook the applications of GNAS in resource-constraint scenarios. This paper proposes to design a…

Machine Learning · Computer Science 2024-06-25 Beini Xie , Heng Chang , Ziwei Zhang , Zeyang Zhang , Simin Wu , Xin Wang , Yuan Meng , Wenwu Zhu