Yinuo Xu
Publications
MACReD: A Multi-Agent Collaborative Reasoning Framework for Reaction Diagram Parsing
Parsing chemical reaction diagrams from scientific literature is challenging due to heterogeneous layouts, intertwined visual elements, and the difficulty of integrating recognition and reasoning. Existing vision-language models advance multimodal understanding but still fail on complex diagrams, struggling to maintain spatial coherence and to integrate multidimensional information during reasoning. To address these issues, we propose MACReD, a hierarchical multi-agent framework that coordinates specialized agents for molecular perception, arrow understanding, text extraction, and reaction reconstruction within a unified VLM-guided architecture. The planning and perception layers use flexible, fine-grained detection to handle visual complexity, while the reasoning layer uses a multigraph fusion mechanism to integrate heterogeneous cues and enforce chemically consistent global reasoning. Experiments on the RxnScribe benchmark show that MACReD achieves state-of-the-art performance, with F1 scores of 75.2% and 84.6% under hard and soft match criteria, outperforming the RxnScribe baseline, which obtains 69.1% and 80.0%, respectively. These results demonstrate the robustness of MACReD across diverse diagram layouts, including multi-step and tree-structured reactions.
Do MLLMs Really Understand Space? A Mathematical Reasoning Evaluation
Multimodal large language models (MLLMs) have achieved strong performance on perception-oriented tasks, yet their ability to perform mathematical spatial reasoning, defined as the capacity to parse and manipulate two- and three-dimensional relations, remains unclear. Humans easily solve textbook-style spatial reasoning problems with over 95\% accuracy, but we find that most leading MLLMs fail to reach even 60\% on the same tasks. This striking gap highlights spatial reasoning as a fundamental weakness of current models. To investigate this gap, we present MathSpatial, a unified framework for evaluating and improving spatial reasoning in MLLMs. MathSpatial includes three complementary components: (i) MathSpatial-Bench, a benchmark of 2K problems across three categories and eleven subtypes, designed to isolate reasoning difficulty from perceptual noise; (ii) MathSpatial-Corpus, a training dataset of 8K additional problems with verified solutions; and (iii) MathSpatial-SRT, which models reasoning as structured traces composed of three atomic operations--Correlate, Constrain, and Infer. Experiments show that fine-tuning Qwen2.5-VL-7B on MathSpatial achieves competitive accuracy while reducing tokens by 25\%. MathSpatial provides the first large-scale resource that disentangles perception from reasoning, enabling precise measurement and comprehensive understanding of mathematical spatial reasoning in MLLMs.