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Lige Yan

Publications and source records attributed to Lige Yan.

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Valhalla: A Layered Knowledge-State and Service-Governance Framework for Long-Term Scientific Knowledge Work

As large language model (LLM) agents are increasingly adopted in scientific research, external knowledge bases, knowledge graphs, and long-term memory have improved information retrieval and task continuity. However, most structured knowledge systems remain node-centric, representing files, concepts, results, and judgments as nodes and relations in a graph. While suitable for personal knowledge management, such structures often depend on individual organizational practices, limiting knowledge sharing, integration, and reorganization across users. This paper presents Valhalla, a layered knowledge-state and service-governance framework for long-term scientific knowledge work. Valhalla replaces flat graphs with layered encapsulation and stable semantic boundaries through a five-layer File-Resource-Entity-Relationship-Graph (FREG) model. File and Resource preserve source identity and provenance, Entity represents knowledge objects, Relationship captures semantic judgments, and Graph provides task-oriented knowledge views, enabling knowledge states from different researchers to be exchanged and reorganized under a unified structure. We further introduce a Router-Contract-Workflow service-governance architecture, inspired by the microkernel paradigm, to constrain how language models access, modify, and extend knowledge states while maintaining structural consistency and auditable operational boundaries. We implement a Valhalla prototype and validate knowledge ingestion, cross-member integration, and scientific writing support through an antibody-design review task comprising 26 paper resources, 80 knowledge entities, and 92 semantic relations. Rather than proposing a new knowledge-extraction algorithm, Valhalla offers a paradigm for organizing collaborative scientific knowledge, transforming individualized knowledge structures into transferable and reorganizable shared knowledge states.

q-bio.NC

BioChemInsight: An Online Platform for Automated Extraction of Chemical Structures and Activity Data from Patents

The automated extraction of chemical structures and their corresponding bioactivity data is essential for accelerating drug discovery and enabling data-driven research. Current optical chemical structure recognition tools lack the capability to autonomously link molecular structures with their bioactivity profiles, posing a significant bottleneck in structure-activity relationship analysis. To address this, we present BioChemInsight, an open-source pipeline that integrates DECIMER Segmentation with MolNexTR for chemical structure recognition, GLM-4.5V for compound identifier association, and PaddleOCR combined with GLM-4.6 for bioactivity extraction and unit normalization. We evaluated BioChemInsight on 181 patents covering 15 therapeutic targets. The system achieved an average extraction accuracy of above 90% across three key tasks: chemical structure recognition, bioactivity data extraction, and compound identifier association. Our analysis indicates that the chemical space covered by patents is largely complementary to that contained in established public database ChEMBL. Consequently, by enabling systematic patent mining, BioChemInsight provides access to chemical information underrepresented in ChEMBL. This capability expands the landscape of explorable compound-target interactions, enriches the data foundation for quantitative structure-activity relationship modeling and targeted screening, and reduces data preprocessing time from weeks to hours. BioChemInsight is available at https://github.com/dahuilangda/BioChemInsight.

q-bio.QM