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TCM-MES Hierarchical Batch Diagnosis

Analysis-code repository for a manufacturing-execution-system (MES)-enabled hierarchical batch diagnosis framework for real-world traditional Chinese medicine (TCM) manufacturing.

This repository documents the data-analysis and modeling workflow used to organize quality-control records, MES production records, upstream material-quality records, process-material records, and batch-linkage information into an issue-driven diagnostic evidence chain. It is a code-only release. Raw and standardized manufacturing datasets are not included because they contain company-confidential production, quality-control, MES, and batch-traceability information.

The associated study is in preparation. Please do not cite this repository as a published study.

Framework overview

The workflow starts from a finished-product quality issue, links downstream quality records to MES production batches, traces related records to upstream material and process-material layers, evaluates layer-wise evidence, adjusts for temporal-window effects, and generates graph-based upstream investigation priorities.

Framework design

Repository scope

Included:

  • Analysis scripts for dataset overview, layer-wise description, association screening, hierarchical modeling, temporal analysis, confounding-aware decomposition, and graph-based evidence scoring.
  • A public framework diagram that explains the analytical design.

Not included:

  • Raw manufacturing data.
  • Standardized analysis-ready datasets.
  • Company-confidential batch-level outputs.
  • Draft documents or unpublished result tables.
  • Document-generation utilities or writing-assistance materials.

Repository structure

  • analysis/00_dataset_overview: dataset dictionary and batch-linkage overview scripts.
  • analysis/01_finished_product_issue: finished-product quality description and issue-definition scripts.
  • analysis/02_tablet_mes_description: finished-product MES descriptive-analysis scripts.
  • analysis/03_tablet_mes_association: finished-product MES association-screening scripts.
  • analysis/04_extract_powder_description: Jianwei Xiaoshi extract-powder quality descriptive-analysis scripts.
  • analysis/05_extract_powder_association: extract-powder and finished-product issue-linkage scripts.
  • analysis/06_chenpi_description_and_association: Chenpi quality, source-code comparison, and downstream-linkage scripts.
  • analysis/07_yam_powder_description: Chinese yam powder MES descriptive-analysis scripts.
  • analysis/08_yam_powder_association: Chinese yam powder MES and downstream issue-linkage scripts.
  • analysis/10_joint_modeling: hierarchical joint-modeling and robustness scripts.
  • analysis/11_temporal_analysis: temporal-pattern and abnormal-window assessment scripts.
  • analysis/12_confounding_aware_analysis: confounding-aware path-decomposition scripts.
  • analysis/13_graph_evidence_scoring: graph-based batch evidence scoring scripts.
  • assets/framework_design.svg: public framework-design figure.
  • data/README.md: local data placement and confidentiality note.

Analysis design

The analysis is organized around an issue-driven diagnostic logic:

  1. Define a finished-product quality issue as the diagnostic entry point.
  2. Link finished-product quality records to MES production records.
  3. Trace related batches to upstream material and process-material layers.
  4. Screen candidate process and material-quality signals within each layer.
  5. Evaluate diagnostic gain from hierarchical data integration.
  6. Account for temporal-window effects and batch-level confounding.
  7. Convert multi-layer evidence into graph-based upstream risk-priority outputs.

Methods implemented

  • Data dictionary construction and variable-level completeness summaries.
  • Batch-linkage and traceability summaries.
  • Layer-wise descriptive statistics.
  • Spearman correlation and Wilcoxon rank-sum testing.
  • Benjamini-Hochberg false-discovery-rate correction.
  • Elastic-net hierarchical diagnostic modeling.
  • XGBoost-SHAP nonlinear sensitivity analysis.
  • Temporal-window analysis and blocked validation.
  • Confounding-aware path decomposition.
  • Bootstrap batch-level robustness checks.
  • Graph-based batch evidence scoring.

Data availability

No raw or standardized data files are included in this repository.

Researchers who need to evaluate or rerun the full analysis may request access to de-identified or necessary analysis-ready data from the corresponding author. Access is subject to company approval, institutional permission, confidentiality review, and an appropriate data-use agreement.

Reuse notes

The scripts are designed as a transparent workflow template. Users with authorized local data access should update input paths and variable dictionaries according to their own data structure before running the analysis.

How to cite

Citation information will be added after study publication.

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Code for an MES-enabled hierarchical batch diagnosis framework for real-world TCM manufacturing

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