From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation
P. Semnani, M. Bogojeski, F. Bley, Z. Zhang, Q. Wu, T. Kneib, J. Herrmann, C. Weisser, K.R. Müller, in: Openreview, 2025.