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There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought…

Artificial Intelligence · Computer Science 2019-02-05 Leilani H. Gilpin , David Bau , Ben Z. Yuan , Ayesha Bajwa , Michael Specter , Lalana Kagal

Recurrent Neural Networks (RNNs) are rich models for the processing of sequential data. Recent work on advancing the state of the art has been focused on the optimization or modelling of RNNs, mostly motivated by adressing the problems of…

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning · Computer Science 2023-12-05 Jonas Jürß , Lucie Charlotte Magister , Pietro Barbiero , Pietro Liò , Nikola Simidjievski

In this work, we introduce Y-Drop, a regularization method that biases the dropout algorithm towards dropping more important neurons with higher probability. The backbone of our approach is neuron conductance, an interpretable measure of…

Machine Learning · Computer Science 2024-09-17 Efthymios Georgiou , Georgios Paraskevopoulos , Alexandros Potamianos

In order to develop complex relationships between their inputs and outputs, deep neural networks train and adjust large number of parameters. To make these networks work at high accuracy, vast amounts of data are needed. Sometimes, however,…

Machine Learning · Computer Science 2022-01-19 Joshua Shunk

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Graph neural networks (GNNs) are effective models for representation learning on relational data. However, standard GNNs are limited in their expressive power, as they cannot distinguish graphs beyond the capability of the Weisfeiler-Leman…

Machine Learning · Computer Science 2021-06-07 Ralph Abboud , İsmail İlkan Ceylan , Martin Grohe , Thomas Lukasiewicz

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Explainable Artificial Intelligence (XAI) aims to make learning machines less opaque, and offers researchers and practitioners various tools to reveal the decision-making strategies of neural networks. In this work, we investigate how XAI…

Machine Learning · Computer Science 2023-11-15 Dennis Grinwald , Kirill Bykov , Shinichi Nakajima , Marina M. -C. Höhne

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Graph Neural Networks (GNNs) are powerful tools for graph representation learning. Despite their rapid development, GNNs also face some challenges, such as over-fitting, over-smoothing, and non-robustness. Previous works indicate that these…

Machine Learning · Computer Science 2023-07-04 Taoran Fang , Zhiqing Xiao , Chunping Wang , Jiarong Xu , Xuan Yang , Yang Yang

While graph neural networks (GNNs) have been shown to perform well on graph-based data from a variety of fields, they suffer from a lack of transparency and accountability, which hinders trust and consequently the deployment of such models…

Machine Learning · Computer Science 2021-07-27 Lucie Charlotte Magister , Dmitry Kazhdan , Vikash Singh , Pietro Liò

Bayesian Neural Networks (BNN) have recently emerged in the Deep Learning world for dealing with uncertainty estimation in classification tasks, and are used in many application domains such as astrophysics, autonomous driving...BNN assume…

Machine Learning · Computer Science 2021-02-04 Claire Theobald , Frédéric Pennerath , Brieuc Conan-Guez , Miguel Couceiro , Amedeo Napoli

The need for explainable AI (XAI) is well established but relatively little has been published outside of the supervised learning paradigm. This paper focuses on a principled approach to applying explainability and interpretability to the…

Machine Learning · Computer Science 2022-07-26 John Sipple , Abdou Youssef

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph neural networks (GNNs) are powerful graph-based machine-learning models that are popular in various domains, e.g., social media, transportation, and drug discovery. However, owing to complex data representations, GNNs do not easily…

Machine Learning · Computer Science 2024-05-14 Pantea Habibi , Peyman Baghershahi , Sourav Medya , Debaleena Chattopadhyay

In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…

Machine Learning · Computer Science 2023-10-24 Efimia Panagiotaki , Daniele De Martini , Lars Kunze
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