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cs.LG2026
PRL-Bench: A Comprehensive Benchmark Evaluating LLMs' Capabilities in Frontier Physics Research
Tingjia Miao, Wenkai Jin, Muhua Zhang +19
The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain co…
cs.LG2026
From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale
Yongqi Jin, Yecheng Wang, Jun-jie Wang +3
Accurate prediction of nuclear magnetic resonance (NMR) chemical shifts is fundamental to spectral analysis and molecular structure elucidation, yet existing machine learning metho…