EDBT 2026 Demo / reviewers in the wild / expert
Ryan Henderson
dblp:147/8893
· DBLP profile ↗
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
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Trustworthy machine learning › interpretability
graph neural network explanation |
0.5 | 1 | 2021 | Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity · ICML 2021 |
Machine learning › Trustworthy machine learning
interpretability |
0.5 | 1 | 2021 | 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 |
0.5 | 1 | 2021 | 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
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2021 | Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced SparsityabstractRationalizing 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 |
ICML | 1 |