[HTML][HTML] A review on machine learning approaches and trends in drug discovery

P Carracedo-Reboredo, J Liñares-Blanco… - Computational and …, 2021 - Elsevier
Drug discovery aims at finding new compounds with specific chemical properties for the
treatment of diseases. In the last years, the approach used in this search presents an …

A comprehensive survey on graph neural networks

Z Wu, S Pan, F Chen, G Long, C Zhang… - IEEE transactions on …, 2020 - ieeexplore.ieee.org
Deep learning has revolutionized many machine learning tasks in recent years, ranging
from image classification and video processing to speech recognition and natural language …

Image matching from handcrafted to deep features: A survey

J Ma, X Jiang, A Fan, J Jiang, J Yan - International Journal of Computer …, 2021 - Springer
As a fundamental and critical task in various visual applications, image matching can identify
then correspond the same or similar structure/content from two or more images. Over the …

Local implicit grid representations for 3d scenes

C Jiang, A Sud, A Makadia, J Huang… - Proceedings of the …, 2020 - openaccess.thecvf.com
Shape priors learned from data are commonly used to reconstruct 3D objects from partial or
noisy data. Yet no such shape priors are available for indoor scenes, since typical 3D …

Kpconv: Flexible and deformable convolution for point clouds

H Thomas, CR Qi, JE Deschaud… - Proceedings of the …, 2019 - openaccess.thecvf.com
Abstract We present Kernel Point Convolution (KPConv), a new design of point convolution,
ie that operates on point clouds without any intermediate representation. The convolution …

Improving graph neural network expressivity via subgraph isomorphism counting

G Bouritsas, F Frasca, S Zafeiriou… - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of
applications, recent studies exposed important shortcomings in their ability to capture the …

[HTML][HTML] Graph neural networks: A review of methods and applications

J Zhou, G Cui, S Hu, Z Zhang, C Yang, Z Liu, L Wang… - AI open, 2020 - Elsevier
Lots of learning tasks require dealing with graph data which contains rich relation
information among elements. Modeling physics systems, learning molecular fingerprints …

General e (2)-equivariant steerable cnns

M Weiler, G Cesa - Advances in neural information …, 2019 - proceedings.neurips.cc
The big empirical success of group equivariant networks has led in recent years to the
sprouting of a great variety of equivariant network architectures. A particular focus has …

Deciphering interaction fingerprints from protein molecular surfaces using geometric deep learning

P Gainza, F Sverrisson, F Monti, E Rodola, D Boscaini… - Nature …, 2020 - nature.com
Predicting interactions between proteins and other biomolecules solely based on structure
remains a challenge in biology. A high-level representation of protein structure, the …

Fake news detection on social media using geometric deep learning

F Monti, F Frasca, D Eynard, D Mannion… - arXiv preprint arXiv …, 2019 - arxiv.org
Social media are nowadays one of the main news sources for millions of people around the
globe due to their low cost, easy access and rapid dissemination. This however comes at the …