Graph representation learning in biomedicine and healthcare

MM Li, K Huang, M Zitnik - Nature Biomedical Engineering, 2022 - nature.com
Networks—or graphs—are universal descriptors of systems of interacting elements. In
biomedicine and healthcare, they can represent, for example, molecular interactions …

Graph convolutional networks for computational drug development and discovery

M Sun, S Zhao, C Gilvary, O Elemento… - Briefings in …, 2020 - academic.oup.com
Despite the fact that deep learning has achieved remarkable success in various domains
over the past decade, its application in molecular informatics and drug discovery is still …

Contextual AI models for single-cell protein biology

MM Li, Y Huang, M Sumathipala, MQ Liang… - Nature …, 2024 - nature.com
Understanding protein function and develo** molecular therapies require deciphering the
cell types in which proteins act as well as the interactions between proteins. However …

Therapeutics data commons: Machine learning datasets and tasks for drug discovery and development

K Huang, T Fu, W Gao, Y Zhao, Y Roohani… - arxiv preprint arxiv …, 2021 - arxiv.org
Therapeutics machine learning is an emerging field with incredible opportunities for
innovatiaon and impact. However, advancement in this field requires formulation of …

Gnnexplainer: Generating explanations for graph neural networks

Z Ying, D Bourgeois, J You, M Zitnik… - Advances in neural …, 2019 - proceedings.neurips.cc
Abstract Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.
GNNs combine node feature information with the graph structure by recursively passing …

[ΒΙΒΛΙΟ][B] Graph representation learning

WL Hamilton - 2020 - books.google.com
This book is a foundational guide to graph representation learning, including state-of-the art
advances, and introduces the highly successful graph neural network (GNN) formalism …

Gnnguard: Defending graph neural networks against adversarial attacks

X Zhang, M Zitnik - Advances in neural information …, 2020 - proceedings.neurips.cc
Deep learning methods for graphs achieve remarkable performance on many tasks.
However, despite the proliferation of such methods and their success, recent findings …

Computational network biology: data, models, and applications

C Liu, Y Ma, J Zhao, R Nussinov, YC Zhang, F Cheng… - Physics Reports, 2020 - Elsevier
Biological entities are involved in intricate and complex interactions, in which uncovering the
biological information from the network concepts are of great significance. Benefiting from …

SkipGNN: predicting molecular interactions with skip-graph networks

K Huang, C **ao, LM Glass, M Zitnik, J Sun - Scientific reports, 2020 - nature.com
Molecular interaction networks are powerful resources for molecular discovery. They are
increasingly used with machine learning methods to predict biologically meaningful …

Evolution of resilience in protein interactomes across the tree of life

M Zitnik, R Sosič, MW Feldman… - Proceedings of the …, 2019 - National Acad Sciences
Phenotype robustness to environmental fluctuations is a common biological phenomenon.
Although most phenotypes involve multiple proteins that interact with each other, the basic …