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Recently, link prediction algorithms based on neural embeddings have gained tremendous popularity in the Semantic Web community, and are extensively used for knowledge graph completion. While algorithmic advances have strongly focused on…

Artificial Intelligence · Computer Science 2020-08-31 Asan Agibetov , Matthias Samwald

Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design new materials, and to predict synthesis routes of new…

Neural networks are among the most accurate supervised learning methods in use today. However, their opacity makes them difficult to trust in critical applications, especially when conditions in training may differ from those in practice.…

Machine Learning · Computer Science 2018-10-03 Andrew Slavin Ross

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

Machine Learning · Computer Science 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN)…

Machine Learning · Computer Science 2021-12-03 Zhili Wang , Shimin Di , Lei Chen

The Link Prediction is the task of predicting missing relations between entities of the knowledge graph. Recent work in link prediction has attempted to provide a model for increasing link prediction accuracy by using more layers in neural…

Computation and Language · Computer Science 2021-11-22 Mohammad Javad Saeedizade , Najmeh Torabian , Behrouz Minaei-Bidgoli

Graph Networks are used to make decisions in potentially complex scenarios but it is usually not obvious how or why they made them. In this work, we study the explainability of Graph Network decisions using two main classes of techniques,…

Machine Learning · Computer Science 2019-06-03 Federico Baldassarre , Hossein Azizpour

As post hoc explanations are increasingly used to understand the behavior of graph neural networks (GNNs), it becomes crucial to evaluate the quality and reliability of GNN explanations. However, assessing the quality of GNN explanations is…

Machine Learning · Computer Science 2023-01-18 Chirag Agarwal , Owen Queen , Himabindu Lakkaraju , Marinka Zitnik

Mining graph data has become a popular research topic in computer science and has been widely studied in both academia and industry given the increasing amount of network data in the recent years. However, the huge amount of network data…

Machine Learning · Computer Science 2020-01-03 Wenwu Zhu , Xin Wang , Peng Cui

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to…

Machine Learning · Computer Science 2025-04-22 Xinnan Dai , Haohao Qu , Yifen Shen , Bohang Zhang , Qihao Wen , Wenqi Fan , Dongsheng Li , Jiliang Tang , Caihua Shan

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Accurate routing network status estimation is a key component in Software Defined Networking. However, existing deep-learning-based methods for modeling network routing are not able to extrapolate towards unseen feature distributions. Nor…

Networking and Internet Architecture · Computer Science 2024-04-29 Yifei Jin , Marios Daoutis , Sarunas Girdzijauskas , Aristides Gionis

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

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

Graph plays a significant role in representing and analyzing complex relationships in real-world applications such as citation networks, social networks, and biological data. Recently, Large Language Models (LLMs), which have achieved…

Machine Learning · Computer Science 2024-04-25 Yuhan Li , Zhixun Li , Peisong Wang , Jia Li , Xiangguo Sun , Hong Cheng , Jeffrey Xu Yu

Graph Neural Networks (GNNs) have demonstrated remarkable performance in a wide range of tasks, such as node classification, link prediction, and graph classification, by exploiting the structural information in graph-structured data.…

Machine Learning · Computer Science 2026-01-09 Oscar Llorente , Jaime Boal , Eugenio F. Sánchez-Úbeda , Antonio Diaz-Cano , Miguel Familiar

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

Machine Learning · Computer Science 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin
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