IntelliForm: Complete Archive — Code, Models, and Data (v1.1.0)
收藏Zenodo2026-06-16 更新2026-06-18 收录
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https://zenodo.org/doi/10.5281/zenodo.20724435
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资源简介：
Complete archive for: "From Benchmark to Production: A Surrogate-Assisted Multi-Objective Optimization Framework for Industrial Chemical Formulation at Scale" (Makani, Digital Discovery, RSC, 2026).
Contains all code and non-confidential data required to reproduce every figure, table, and quantitative result in the manuscript:
- surrogate_pipeline/ — RF surrogate training, NSGA-III optimizer, EcoMetrics scoring engine- xgboost_models/ — 9 trained XGBoost property model files + hyperparameter configs (SI Table S1)- benchmarking_data/ — Lab cycle benchmarking results, all 18 formulation classes (Table 4 / SI S4)- validation_data/ — RF surrogate validation metrics (SI S2/S3), XGBoost model performance (SI S1)- figures/ — Scripts to reproduce Figures 3, 4, 5, and S1- intelliform_representative_dataset.csv — 500-row synthetic dataset (51 columns)- README.md — Full reproduction instructions (quick-start < 15 min)
Proprietary client formulation records and the full ingredient database are not included (confidential per client agreements) and are not required to reproduce any manuscript result.
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Zenodo创建时间：
2026-06-16
