S Silva-Mendonça, AR de Sousa Vitória… - Artificial Intelligence in …, 2023 - Elsevier
Computational approaches have revolutionized the field of drug discovery, collectively known as Computer-Assisted Drug Design (CADD). Advancements in computing power …
The bioactivity of compounds plays an important role in drug development and discovery. Existing machine learning approaches have poor generalizability in bioactivity prediction …
Graph clustering, which learns the node representations for effective cluster assignments, is a fundamental yet challenging task in data analysis and has received considerable attention …
S Han, H Fu, Y Wu, G Zhao, Z Song… - Briefings in …, 2023 - academic.oup.com
Accurate prediction of molecular properties is an important topic in drug discovery. Recent works have developed various representation schemes for molecular structures to capture …
Z Mao, W Ju, Y Qin, X Luo, M Zhang - Proceedings of the 31st ACM …, 2023 - dl.acm.org
Graph classification is a crucial task in many real-world multimedia applications, where graphs can represent various multimedia data types such as images, videos, and social …
The propagation of rumours on social media poses an important threat to societies, so that various techniques for graph-based rumour detection have been proposed recently. Existing …
Y Qin, H Wu, W Ju, X Luo, M Zhang - ACM Transactions on Information …, 2023 - dl.acm.org
Next Point-of-Interest (POI) recommendation is a critical task in location-based services that aim to provide personalized suggestions for the user's next destination. Previous works on …
This paper studies zero-shot node classification, which aims to predict new classes (ie, unseen classes) of nodes in a graph. This problem is challenging yet promising in a variety …
Self-supervised graph representation learning has recently shown considerable promise in a range of fields, including bioinformatics and social networks. A large number of graph …