2 papers
physics.chem-ph2024
Analyzing Atomic Interactions in Molecules as Learned by Neural Networks
Malte Esders, Thomas Schnake, Jonas Lederer +4
While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a te…
cs.AI2024
Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships Between Features
Thomas Schnake, Farnoush Rezaei Jafari, Jonas Lederer +5
Explainable Artificial Intelligence (XAI) plays a crucial role in fostering transparency and trust in AI systems, where traditional XAI approaches typically offer one level of abst…