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Learning low-dimensional embeddings of knowledge graphs is a powerful approach used to predict unobserved or missing edges between entities. However, an open challenge in this area is developing techniques that can go beyond simple edge…

Social and Information Networks · Computer Science 2019-10-30 William L. Hamilton , Payal Bajaj , Marinka Zitnik , Dan Jurafsky , Jure Leskovec

Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric…

Machine Learning · Computer Science 2026-02-04 Kunyi Fan , Mengjie Chen , Longlong Li , Cunquan Qu

Over the past few years, graph representation learning (GRL) has been a powerful strategy for analyzing graph-structured data. Recently, GRL methods have shown promising results by adopting self-supervised learning methods developed for…

Machine Learning · Computer Science 2022-09-05 Namkyeong Lee , Dongmin Hyun , Junseok Lee , Chanyoung Park

Graph-level contrastive learning, aiming to learn the representations for each graph by contrasting two augmented graphs, has attracted considerable attention. Previous studies usually simply assume that a graph and its augmented graph as a…

Artificial Intelligence · Computer Science 2024-04-15 Yanbei Liu , Yu Zhao , Xiao Wang , Lei Geng , Zhitao Xiao

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…

Machine Learning · Computer Science 2025-03-24 Mukun Chen , Jia Wu , Shirui Pan , Fu Lin , Bo Du , Xiuwen Gong , Wenbin Hu

3D scene graph prediction aims to abstract complex 3D environments into structured graphs consisting of objects and their pairwise relationships. Existing approaches typically adopt object-centric graph neural networks, where relation edge…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Yanni Ma , Hao Liu , Yulan Guo , Theo Gevers , Martin R. Oswald

Accurate drug response prediction (DRP) is a crucial yet challenging task in precision medicine. This paper presents a novel Attention-Guided Multi-omics Integration (AGMI) approach for DRP, which first constructs a Multi-edge Graph (MeG)…

Genomics · Quantitative Biology 2022-01-20 Ruiwei Feng , Yufeng Xie , Minshan Lai , Danny Z. Chen , Ji Cao , Jian Wu

Recently, self-supervised learning has proved to be effective to learn representations of events suitable for temporal segmentation in image sequences, where events are understood as sets of temporally adjacent images that are semantically…

Machine Learning · Computer Science 2020-12-11 Mariella Dimiccoli , Herwig Wendt

Contrastive self-supervised learning has recently benefited fMRI classification with inductive biases. Its weak label reliance prevents overfitting on small medical datasets and tackles the high intraclass variances. Nonetheless, existing…

Machine Learning · Computer Science 2022-07-19 Xuesong Wang , Lina Yao , Islem Rekik , Yu Zhang

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

Genomics · Quantitative Biology 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Link prediction (inferring missing or future connections between nodes in a graph) is a fundamental problem in network science with widespread applications in, e.g., biological systems, recommender systems, finance and cybersecurity. The…

Machine Learning · Computer Science 2026-05-12 Riccardo Porcedda , Francesca Chiaromonte , Fabrizio Lillo , Andrea Vandin

Temporal Graph Networks (TGNs) have shown remarkable performance in learning representation for continuous-time dynamic graphs. However, real-world dynamic graphs typically contain diverse and intricate noise. Noise can significantly…

Machine Learning · Computer Science 2023-09-06 Siwei Zhang , Yun Xiong , Yao Zhang , Yiheng Sun , Xi Chen , Yizhu Jiao , Yangyong Zhu

Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of…

Robotics · Computer Science 2025-05-20 Dan Luo , Jinyu Zhou , Le Xu , Sisi Yuan , Xuan Lin

OBJECTIVE: Leverage existing biomedical NLP tools and DS domain terminology to produce a novel and comprehensive knowledge graph containing dietary supplement (DS) information for discovering interactions between DS and drugs, or…

Self-supervised learning on graphs has recently drawn a lot of attention due to its independence from labels and its robustness in representation. Current studies on this topic mainly use static information such as graph structures but…

Machine Learning · Computer Science 2021-12-17 Linpu Jiang , Ke-Jia Chen , Jingqiang Chen

Over the past decade, knowledge graphs became popular for capturing structured domain knowledge. Relational learning models enable the prediction of missing links inside knowledge graphs. More specifically, latent distance approaches model…

Artificial Intelligence · Computer Science 2020-02-24 Afshin Sadeghi , Damien Graux , Hamed Shariat Yazdi , Jens Lehmann

The Gaussian graphical model is a widely used tool for learning gene regulatory networks with high-dimensional gene expression data. Most existing methods for Gaussian graphical models assume that the data are homogeneous, i.e., all samples…

Methodology · Statistics 2018-05-08 Bochao Jia , Faming Liang

The task of concept prerequisite chain learning is to automatically determine the existence of prerequisite relationships among concept pairs. In this paper, we frame learning prerequisite relationships among concepts as an unsupervised…

Computation and Language · Computer Science 2020-04-23 Irene Li , Alexander Fabbri , Swapnil Hingmire , Dragomir Radev

Knowledge Graph Embeddings (KGE) have become a quite popular class of models specifically devised to deal with ontologies and graph structure data, as they can implicitly encode statistical dependencies between entities and relations in a…

Artificial Intelligence · Computer Science 2023-03-27 Michelangelo Diligenti , Francesco Giannini , Stefano Fioravanti , Caterina Graziani , Moreno Falaschi , Giuseppe Marra

We present a framework for learning Node Embeddings from Static Subgraphs (NESS) using a graph autoencoder (GAE) in a transductive setting. NESS is based on two key ideas: i) Partitioning the training graph to multiple static, sparse…

Machine Learning · Computer Science 2023-05-24 Talip Ucar
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