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Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

Gene interaction graphs aim to capture various relationships between genes and can represent decades of biology research. When trying to make predictions from genomic data, those graphs could be used to overcome the curse of dimensionality…

Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations…

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

Machine Learning · Computer Science 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

There has been an increased interest in applying machine learning techniques on relational structured-data based on an observed graph. Often, this graph is not fully representative of the true relationship amongst nodes. In these settings,…

Machine Learning · Statistics 2022-08-05 Florence Regol , Soumyasundar Pal , Jianing Sun , Yingxue Zhang , Yanhui Geng , Mark Coates

Recently, graphs have been widely used to represent many different kinds of real world data or observations such as social networks, protein-protein networks, road networks, and so on. In many cases, each node in a graph is associated with…

Social and Information Networks · Computer Science 2016-09-28 Jihwan Lee , Keehwan Park , Sunil Prabhakar

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Online social network services provide a platform for human social interactions. Nowadays, many kinds of online interactions generate large-scale social network data. Network analysis helps to mine knowledge and pattern from the…

Social and Information Networks · Computer Science 2021-02-19 Andry Alamsyah , Yahya Peranginangin , Intan Muchtadi-Alamsyah , Budi Rahardjo , Kuspriyanto

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

Machine Learning · Statistics 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Graphs are used in many disciplines to model the relationships that exist between objects in a complex discrete system. Researchers may wish to compare a network of interest to a "typical" graph from a family (or ensemble) of graphs which…

Combinatorics · Mathematics 2025-08-08 Catherine Greenhill

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

Graph neural networks have gained prominence due to their excellent performance in many classification and prediction tasks. In particular, they are used for node classification and link prediction which have a wide range of applications in…

Machine Learning · Computer Science 2022-02-09 Cenk Baykal , Vamsi K. Potluru , Sameena Shah , Manuela M. Veloso

Multiplex networks allow us to study a variety of complex systems where nodes connect to each other in multiple ways, for example friend, family, and co-worker relations in social networks. Link prediction is the branch of network analysis…

Social and Information Networks · Computer Science 2020-08-20 Michele Coscia , Michael Szell

We propose a new model, the Neighbor Mixture Model (NMM), for modeling node labels in a graph. This model aims to capture correlations between the labels of nodes in a local neighborhood. We carefully design the model so it could be an…

Machine Learning · Computer Science 2021-04-20 Linfeng Liu , Michael C. Hughes , Li-Ping Liu

Many real-world networks exhibit correlations between the node degrees. For instance, in social networks nodes tend to connect to nodes of similar degree. Conversely, in biological and technological networks, high-degree nodes tend to be…

Discrete Mathematics · Computer Science 2015-09-30 Kevin E. Bassler , Charo I. Del Genio , Péter L. Erdős , István Miklós , Zoltán Toroczkai

In this study, we intend to solve a mutual information problem in interacting molecules of any type, such as proteins, nucleic acids, and small molecules. Using machine learning techniques, we accurately predict pairwise interactions, which…

Machine Learning · Statistics 2016-01-28 Andrew Schaumberg , Angela Yu , Tatsuhiro Koshi , Xiaochan Zong , Santoshkalyan Rayadhurgam

Relation extraction between drugs plays a crucial role in identifying drug drug interactions and predicting side effects. The advancement of machine learning methods in relation extraction, along with the development of large medical text…

Computation and Language · Computer Science 2025-10-28 Ali Fata , Hossein Rahmani , Parinaz Soltanzadeh , Amirhossein Derakhshan , Behrouz Minaei Bidgoli

Existing multi-relational graph neural networks use one of two strategies for identifying informative relations: either they reduce this problem to low-level weight learning, or they rely on handcrafted chains of relational dependencies,…

Machine Learning · Computer Science 2023-11-21 Francesco Ferrini , Antonio Longa , Andrea Passerini , Manfred Jaeger

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

Machine Learning · Computer Science 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer
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