7 papers
Grounding Spatial Relations in a Compact World Model: Instruction Leakage and a Goal-Free Dynamics Fix
Yufeng Wang, Lu Wei, Haibin Ling
Compact world models that condition on a language goal promise to ground relations such as ``put the red block left of the blue block'' using a sparse set of explicit \emph{referen…
FirstResearch: Auditable Question Formation for LLM Scientific Discovery Agents
Yufeng Wang
LLM systems for scientific discovery increasingly assist with ideation, literature synthesis, experiment planning, and report generation, but the first research question they propo…
Retrieval as a Decision: Training-Free Adaptive Gating for Efficient RAG
Yufeng Wang, Lu wei, Haibin Ling
Retrieval-Augmented Generation (RAG) improves factuality but retrieving for every query often hurts quality while inflating tokens and latency. We propose Training-free Adaptive Re…
How well can off-the-shelf LLMs elucidate molecular structures from mass spectra using chain-of-thought reasoning?
Yufeng Wang, Lu Wei, Lin Liu +2
Mass spectrometry (MS) is a powerful analytical technique for identifying small molecules, yet determining complete molecular structures directly from tandem mass spectra (MS/MS) r…
XDIP: A Curated X-ray Absorption Spectrum Dataset for Iron-Containing Proteins
Yufeng Wang, Peiyao Wang, Lu Wei +6
Earth-abundant iron is an essential metal in regulating the structure and function of proteins. This study presents the development of a comprehensive X-ray Absorption Spectroscopy…
Spectra-to-Structure and Structure-to-Spectra Inference Across the Periodic Table
Yufeng Wang, Peiyao Wang, Lu Wei +4
X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, co…