5 citations · 26 across the 15 of their papers we have counts for
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physics.chem-ph2026
Reinforcement learning amortizes transition-state physics into one-step flow models
Yunyang Li, Zechang Sun, Kuang Yu +3
Transition-state searches remain a major bottleneck in reaction discovery, as identifying valid saddle-point structures requires numerous expensive quantum-chemical calculations. G…
q-bio.BM2026
SurfDesign: Effective Protein Design on Molecular Surfaces
Fang Wu, Shuting Jin, Xiangru Tang +5
Protein function is largely determined by molecular surface geometry and physicochemical complementarity, yet most protein design methods condition only on backbone structure. We i…
cs.LG2026
Dispersion Loss Counteracts Embedding Condensation and Improves Generalization in Small Language Models
Chen Liu, Xingzhi Sun, Xi Xiao +8
Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling…