Demonstration venue · read-only. Every page can be browsed; the buttons that would change it are switched off. Create an account to run TaxoReview on your own data. A simulation from public publication records: the people listed were not invited and did not agree to review.
? Tutorial for this page

Ryan Henderson

dblp:147/8893 · DBLP profile ↗
← Back
1ranked-venue papers
1as first author
1since 2021 · last 2021
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 first-author · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Trustworthy machine learning · 67% Graph learning · 33%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Trustworthy machine learning › interpretability
graph neural network explanation
0.512021
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity · ICML 2021
Machine learning › Trustworthy machine learning
interpretability
0.512021
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity · ICML 2021
Machine learning › Graph learning › molecular representation learning › molecular graph learning
molecular graph neural network
0.512021
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity · ICML 2021

Methods — techniques the papers use, named apart from their topics

gini regularization · 0.5batch representation orthonormalization · 0.5
YearPublicationVenuePosition
2021 Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity
abstract
Rationalizing which parts of a molecule drive the predictions of a molecular graph convolutional neural network (GCNN) can be difficult. To help, we propose two simple regularization techniques to apply during the training of GCNNs: Batch Representation Orthonormalization (BRO) and Gini regularization. BRO, inspired by molecular orbital theory, encourages graph convolution operations to generate orthonormal node embeddings. Gini regularization is applied to the weights of the output layer and constrains the number of dimensions the model can use to make predictions. We show that Gini and BRO regularization can improve the accuracy of state-of-the-art GCNN attribution methods on artificial benchmark datasets. In a real-world setting, we demonstrate that medicinal chemists significantly prefer explanations extracted from regularized models. While we only study these regularizers in the context of GCNNs, both can be applied to other types of neural networks.
Ryan Henderson, Djork-Arné Clevert, Floriane Montanari
ICML1