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cs.LG2026★ 2 cited
MolecularIQ: Characterizing Chemical Reasoning Capabilities Through Symbolic Verification on Molecular Graphs
Christoph Bartmann, Johannes Schimunek, Mykyta Ielanskyi +3
A molecule's properties are fundamentally determined by its composition and structure encoded in its molecular graph. Thus, reasoning about molecular properties requires the abilit…
cs.LG2025
Federated Few-Shot Learning for Epileptic Seizure Detection Under Privacy Constraints
Ekaterina Sysoykova, Bernhard Anzengruber-Tanase, Michael Haslgrubler +2
Many deep learning approaches have been developed for EEG-based seizure detection; however, most rely on access to large centralized annotated datasets. In clinical practice, EEG d…
cs.LG2024
Re-evaluating Retrosynthesis Algorithms with Syntheseus
Krzysztof Maziarz, Austin Tripp, Guoqing Liu +5
Automated Synthesis Planning has recently re-emerged as a research area at the intersection of chemistry and machine learning. Despite the appearance of steady progress, we argue t…