14 papers
MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition
Haote Yang, Jiang Wu, Jingchao Wang +42
In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagram…
Reachability Is Not Realization: Tracing the Sources of LLM Benchmark Gains
Yanchao Li, Wanhao Liu, Jiaqing Xie +4
Benchmark gains are often treated as evidence of greater LLM capability. Yet the same gain can reflect different changes in model behavior. A model may reach new answers, or produc…
Disagree to Accelerate: Closing the Loop on Diffusion Feature Forecasts
Yanchao Li, Jiaqing Xie, Ben Gao +6
Training-free feature forecasting accelerates diffusion sampling by predicting features at skipped denoising steps. Recent work has mainly focused on designing stronger forecasters…
MolGVR: A Chemistry-Grounded Framework for Text-to-Molecule Generation
Qian Tan, Xuanyu Zhu, Lei Jiang +3
Text-to-molecule generation is typically formulated as a one-shot sequence generation problem, where a model directly maps target descriptions to molecular representations. However…
OmniMatBench: A Human-Calibrated Multimodal Reasoning Benchmark Across 19 Materials Science Subfields
Wanhao Liu, Jiaqing Xie, Qian Tan +10
As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and…
SkillsInjector: Dynamic Skill Context Construction for LLM Agents
Yanchao Li, Wanhao Liu, Ben Gao +5
LLM agents now draw on growing skill libraries to handle complex tasks. However, injecting more skills does not always improve task completion and can even degrade it. Existing met…