The rational design of electrocatalysts for multi-electron reaction networks hinges on navigating vast, multidimensional surface-environment spaces defined by coupled variations in composition, coordination topology, and adsorbate configurations. Taking electrochemical carbon dioxide reduction to ethanol as a model cha...
Dong-Jin Tang, Rui-Li Li, Zhi-Di Lei et al.· Journal of Materials Informa...· 0 citations
Artificial intelligence (AI) has expanded the accessible space for catalyst discovery, yet executing complex screening campaigns still requires constant human intervention to bridge high-level reaction objectives with underlying computational pipelines. Here, we present Autocata, a knowledge-embedded autonomous agent t...
AutoResearchEval, featuring 100 tasks grounded in published frontier science across 7 scientific domains and the full research lifecycle, and ARFT, a framework of 45 empirically-grounded failure patterns to enable scalable fine-grained attribution, are introduced.
This work shows that a state-of-the-art weight-inheritance distiller, Low-Rank Clone (LRC), deploys a full-width student MLP but ties training to a teacher-induced slice, leaving 62.5-81.4% of each deployed matrix's independent linear degrees of freedom unreachable-paid for at inference, never trainable.
Wen-Hui Chen, Zhi-Feng Li, Jie Zhou et al.· 0 citations
Reconstruction is introduced, a blind idea-recovery benchmark that withholds the seed paper and all contemporaneous or future literature, and asks models to propose hypotheses that an independent large language model judge matches against the held-out ground-truth idea.
Shao-Long Chen, Yanlin Fei, Nazhou Liu et al.· 0 citations
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