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.
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Autor*in
Semnani, Parastoo;
Bogojeski, Mihail;
Bley, Florian;
Zhang, Zizheng;
Wu, Qiong;
Kneib, Thomas;
Herrmann, Jan;
Weisser, Christoph
;
Müller, Klaus Robert
;
Müller, Klaus RobertErscheinungsjahr
Konferenz
European Conference on Neural Information Processing Systems (EurIPS) Workshop: SimBioChem 2025
Konferenzort
Copenhagen, Denmark
Konferenzdatum
2025-12-06 – 2025-12-06
FH-PUB-ID
Zitieren
Semnani, Parastoo ; Bogojeski, Mihail ; Bley, Florian ; Zhang, Zizheng ; Wu, Qiong ; Kneib, Thomas ; Herrmann, Jan ; Weisser, Christoph ; u. a.: From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation. In: : Openreview, 2025
Semnani P, Bogojeski M, Bley F, et al. From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation. In: Openreview; 2025.
Semnani, P., Bogojeski, M., Bley, F., Zhang, Z., Wu, Q., Kneib, T., … Müller, K. R. (2025). From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation. Presented at the European Conference on Neural Information Processing Systems (EurIPS) Workshop: SimBioChem 2025, Copenhagen, Denmark: Openreview.
@inproceedings{Semnani_Bogojeski_Bley_Zhang_Wu_Kneib_Herrmann_Weisser_Müller_2025, title={From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation}, publisher={Openreview}, author={Semnani, Parastoo and Bogojeski, Mihail and Bley, Florian and Zhang, Zizheng and Wu, Qiong and Kneib, Thomas and Herrmann, Jan and Weisser, Christoph and Müller, Klaus Robert}, year={2025} }
Semnani, Parastoo, Mihail Bogojeski, Florian Bley, Zizheng Zhang, Qiong Wu, Thomas Kneib, Jan Herrmann, Christoph Weisser, and Klaus Robert Müller. “From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation.” Openreview, 2025.
P. Semnani et al., “From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation,” presented at the European Conference on Neural Information Processing Systems (EurIPS) Workshop: SimBioChem 2025, Copenhagen, Denmark, 2025.
Semnani, Parastoo, et al. From Prediction to Proposal in Catalysis: Robust Evaluation, LRP Explanations, and Relevance-Guided Candidate Generation. Openreview, 2025.
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