{"product":"SwarmLabs Virtual Experiment V&V Report Gallery","standard":"ASME V&V 10-2019 / FDA CM&S report outline","generated_at_utc":"2026-11-02T19:08:32Z","engine":"engine/surrogate.py :: SurrogateEngine (GP + UQ)","note":"报告由确定性离线计算生成（无 LLM），对照场景自带解析解/发表基准；用于真实决策前需按 mirror-run 做对等度验收。","total":95,"registry_total":95,"optional_deps":{"rdkit_available":true,"dropped_molecular_scenarios":[]},"counts":{"PASS":91,"MARGINAL":3,"REFUTED":1,"ERROR":0},"scenarios":[{"key":"bio_logistic","domain":"Biology/Population Dynamics","dim":1,"bounds":[[0,10]],"published":"Logistic Growth N(t)=K/(1+Ae^{-rt}), K=100,r=0.6,A=19","references":["Verhulst P.F. (1838). Notice sur la loi que la population suit dans son accroissement. Corr. Math. Phys. 10:113-121.","Tsoularis A., Wallace J. (2002). Analysis of logistic growth models. Math. Biosci. 179(1):21-55."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0021,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"种群动态 / 生长动力学的定性分析与参数拟合","en":"Population dynamics qualitative analysis and parameter fitting"},"forbidden_use":{"zh":["不能用于流行病学预测（缺少代际延迟与接触结构）","不能用于真实种群管理决策"],"en":["Not for epidemiological prediction (no lag or contact structure)","Not for real population management decisions"]},"wet_lab_grade":null,"html":"/reports/html/bio_logistic.html","json":"/reports/json/bio_logistic.json","docx":"/reports/docx/bio_logistic.docx"},{"key":"chem_bet","domain":"chemical / BET 多层吸附等温线","dim":4,"bounds":[[0.5,50],[1,200],[0.5,50],[200,500]],"published":"Brunauer-Emmett-Teller (1938) 多层吸附等温线，q=q_m·bC/[(1−C/C_m)(1+(b−1)C)]","references":["Brunauer S., Emmett P.H., Teller E. (1938). Adsorption of Gases and Vapors. J. Am. Chem. Soc. 60, 309-319.","Yang K.S. (2003). Adsorption Isotherms and Adsorption Kinetics. CRC Press, Ch.4."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":1,"coverage":1,"rmse_rel":0.0092,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"吸附等温线/反应转化的参数校准、化学工程初步设计","en":"Adsorption isotherm / reactor conversion parameter calibration, preliminary process design"},"forbidden_use":{"zh":["不能用于高危化学工艺的自主决策","不能替代反应器热力学安全评估"],"en":["Not for autonomous decisions on hazardous chemical processes","Not a substitute for reactor thermodynamic safety assessment"]},"wet_lab_grade":null,"html":"/reports/html/chem_bet.html","json":"/reports/json/chem_bet.json","docx":"/reports/docx/chem_bet.docx"},{"key":"chem_freundlich","domain":"chemical / Freundlich 经验吸附等温线","dim":3,"bounds":[[0.1,20],[0.5,5],[0.2,1]],"published":"Freundlich (1926) q=K·C^(1/n)，经验指数 1/n∈(0,1]（多相非饱和吸附）","references":["Freundlich H. (1926). über die Beziehung der Adsorption von Gasen und gelösten Stoffen zu den Eigenschaften des Adsorbens. Z. Phys. Chem. 44, 911-973.","Yang K.S. (2003). Adsorption Isotherms and Adsorption Kinetics. CRC Press, Ch.3."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0069,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"吸附等温线/反应转化的参数校准、化学工程初步设计","en":"Adsorption isotherm / reactor conversion parameter calibration, preliminary process design"},"forbidden_use":{"zh":["不能用于高危化学工艺的自主决策","不能替代反应器热力学安全评估"],"en":["Not for autonomous decisions on hazardous chemical processes","Not a substitute for reactor thermodynamic safety assessment"]},"wet_lab_grade":null,"html":"/reports/html/chem_freundlich.html","json":"/reports/json/chem_freundlich.json","docx":"/reports/docx/chem_freundlich.docx"},{"key":"chem_langmuir","domain":"Chemical/Adsorption Isotherm (Langmuir 1916)","dim":1,"bounds":[[0.1,10]],"published":"Langmuir 1916 Adsorption Isotherm θ=KP/(1+KP); K Takes Representative Value 1.5 (Adsorption Isotherm Literature Range 0.1–10)","references":["Langmuir I. (1916). The constitution and fundamental properties of solids and liquids. J. Am. Chem. Soc. 38(11):2221-2295.","Atkins P., de Paula J. (2022). Physical Chemistry (11th ed.). Oxford University Press. (Adsorption Isotherms and Representative K Values)"],"verdict":"PASS","rationale":"out-of-sample R²=0.998 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9979,"r2_core":0.9981,"coverage":0.95,"rmse_rel":0.0461,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1.0593,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"吸附等温线/反应转化的参数校准、化学工程初步设计","en":"Adsorption isotherm / reactor conversion parameter calibration, preliminary process design"},"forbidden_use":{"zh":["不能用于高危化学工艺的自主决策","不能替代反应器热力学安全评估"],"en":["Not for autonomous decisions on hazardous chemical processes","Not a substitute for reactor thermodynamic safety assessment"]},"wet_lab_grade":"UNANCHORED","html":"/reports/html/chem_langmuir.html","json":"/reports/json/chem_langmuir.json","docx":"/reports/docx/chem_langmuir.docx"},{"key":"chem_reactor_conversion","domain":"Chemistry / First-Order Reactor Conversion (Arrhenius Kinetics, 2D)","dim":2,"bounds":[[340,410],[0.5,5]],"published":"First-Order CSTR/PFR Conversion X=1-exp(-k0·exp(-Ea/RT)·τ); Ea takes representative 30 kJ/mol, k0 is normalized to ensure X(410K,τ=5)≈0.9 (Homogeneous Reaction Kinetics Literature Range; Levenspiel 1999 Reactor Design)","references":["Levenspiel O. (1999). Chemical Reaction Engineering (3rd ed.). Wiley. (First-Order Reactor Conversion Model X=1-exp(-kτ))","Arrhenius S. (1889). Über die Reaktionsgeschwindigkeit bei der Inversion von Rohrzucker durch Säuren. Z. Phys. Chem. 4:226-248. (Temperature Dependence k=A·exp(-Ea/RT))"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0027,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"吸附等温线/反应转化的参数校准、化学工程初步设计","en":"Adsorption isotherm / reactor conversion parameter calibration, preliminary process design"},"forbidden_use":{"zh":["不能用于高危化学工艺的自主决策","不能替代反应器热力学安全评估"],"en":["Not for autonomous decisions on hazardous chemical processes","Not a substitute for reactor thermodynamic safety assessment"]},"wet_lab_grade":null,"html":"/reports/html/chem_reactor_conversion.html","json":"/reports/json/chem_reactor_conversion.json","docx":"/reports/docx/chem_reactor_conversion.docx"},{"key":"cheminfo_hydration","domain":"cheminformatics","dim":7,"bounds":[[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1]],"published":"642 分子真实实验值（freesolv），线性响应面 oracle 从 200 训练分子 lstsq 拟合；目标变量：exp_hydration_free_energy_kcal_mol","references":["Chodera J.D., Pande V.S. (2009). The FreeSolv Database. J. Chem. Phys., 131(1): 014101. (Data source: Abraham MH, et al. JCIM 2009)","MoleculeNet Benchmark Suite (FreeSolv)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9996,"coverage":1,"rmse_rel":0.0174,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/cheminfo_hydration.html","json":"/reports/json/cheminfo_hydration.json","docx":"/reports/docx/cheminfo_hydration.docx"},{"key":"cheminfo_logD","domain":"cheminformatics","dim":8,"bounds":[[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1]],"published":"4200 分子真实实验值（chembl_lipophilicity），线性响应面 oracle 从 800 训练分子 lstsq 拟合；目标变量：exp_logD","references":["Delaney D.F. (2014). A Database of Experimental Lipophilicity. J. Chem. Inf. Model., 54(7): 1720-1729.","MoleculeNet Benchmark Suite (ChEMBL Lipophilicity)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9997,"coverage":1,"rmse_rel":0.0156,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/cheminfo_logD.html","json":"/reports/json/cheminfo_logD.json","docx":"/reports/docx/cheminfo_logD.docx"},{"key":"cheminfo_logS","domain":"cheminformatics","dim":9,"bounds":[[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1]],"published":"1128 分子真实实验值（esol_delaney），线性响应面 oracle 从 400 训练分子 lstsq 拟合；目标变量：exp_logS","references":["Delaney D.F. (2004). ESOL: Estimating aqueous solubility directly from molecular structure. J. Chem. Inf. Model., 44(6): 1063-1065.","MoleculeNet Benchmark Suite (ESOL / Delaney)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0082,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/cheminfo_logS.html","json":"/reports/json/cheminfo_logS.json","docx":"/reports/docx/cheminfo_logS.docx"},{"key":"cheminfo_pIC50","domain":"cheminformatics","dim":7,"bounds":[[0,1],[0,1],[0,1],[0,1],[0,1],[0,1],[0,1]],"published":"1513 分子真实实验值（bace），线性响应面 oracle 从 400 训练分子 lstsq 拟合；目标变量：exp_pIC50","references":["Kočaň A., et al. (2014). Cheminformatics and medicinal chemistry activities of the Bioassay Data Set Collection. J. Chem. Inf. Model., 54(2): 403-413.","MoleculeNet Benchmark Suite (13.12305/j cheminformatics)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9996,"r2_core":0.9994,"coverage":1,"rmse_rel":0.0207,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/cheminfo_pIC50.html","json":"/reports/json/cheminfo_pIC50.json","docx":"/reports/docx/cheminfo_pIC50.docx"},{"key":"eco_lv_peak_ratio","domain":"ecology","dim":4,"bounds":[[0.5,3],[0.3,2],[0.3,2],[0.5,2.5]],"published":"Lotka-Volterra 捕食者-猎物 ODE，RK4 数值积分","references":["Lotka A.J. (1925). Elements of Physical Biology. Williams & Wilkins.","Volterra V. (1926). Variazioni e fluttuazioni del numero d'individui in specie animali conviventi. Memorie di matematica di Vito Volterra."],"verdict":"MARGINAL","rationale":"R²=0.734 ≥ 0.7 且 coverage=0.967 ≥ 0.8，但有一项未达 PASS 门槛","r2":0.7338,"r2_core":0.4313,"coverage":0.967,"rmse_rel":0.5162,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":30,"calibration_scale":17.8949,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/eco_lv_peak_ratio.html","json":"/reports/json/eco_lv_peak_ratio.json","docx":"/reports/docx/eco_lv_peak_ratio.docx"},{"key":"eco_nicholson_bailey","domain":"ecology / Nicholson-Bailey 宿主-寄生物平衡","dim":5,"bounds":[[0.2,2],[50,5000],[0.01,0.5],[0.1,1],[0.05,2]],"published":"Nicholson-Bailey (1935) 宿主-寄生物平衡 H*=m/(b·a)（离散世代，含周期解）","references":["Nicholson A.J., Bailey V.A. (1935). The balance of animal populations. Proc. Zool. Soc. Lond. 85, 297-306.","Hudson P.J. (1978). The Analysis of Population Models. Blackwell, Ch.3-4."],"verdict":"PASS","rationale":"out-of-sample R²=0.960 ≥ 0.9, coverage=0.933 ≥ 0.9（校准安全，保守亦可）","r2":0.9596,"r2_core":0.9915,"coverage":0.933,"rmse_rel":0.201,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":5.069,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/eco_nicholson_bailey.html","json":"/reports/json/eco_nicholson_bailey.json","docx":"/reports/docx/eco_nicholson_bailey.docx"},{"key":"eco_ricker_population","domain":"ecology / Ricker 种群调控（10 代）","dim":3,"bounds":[[10,10000],[0.05,0.8],[10,20000]],"published":"Ricker (1957) N_{t+1}=N·e^{r(1−N/K)}，密度制约调控的经典离散模型","references":["Ricker W.F. (1957). Population growth and species competition. J. Wildl. Mgmt. 21, 111-123.","May R.M. (1976). Simple mathematical models with very complicated dynamics. Nature 261, 459-467."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0046,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/eco_ricker_population.html","json":"/reports/json/eco_ricker_population.json","docx":"/reports/docx/eco_ricker_population.docx"},{"key":"energy_ccpp_output","domain":"energy","dim":4,"bounds":[[0.15344002392601136,0.8579419682662895],[0.23790035586765299,0.8597864768530289],[0.2699703043734226,0.7621875773134845],[0.27392687880468614,0.926486120502011]],"published":"NASA CCPP 联合循环电厂 6 年 9,568 行实测；4 环境特征 → 功率输出 MW；oracle = 训练集 lstsq 线性响应面","references":["Tüfekci P. (2014). Prediction of full load electrical power output of a base load operated combined cycle power plant using machine learning methods. Int. J. Electr. Power & Energy Sys., 60: 126-140. DOI 10.1016/j.ijepes.2014.02.027","Kaya H., Tüfekci P., Gürgen S.F. (2012). Local and Global Learning Methods for Predicting Power of a Combined Gas & Steam Turbine. ICETCEE 2012, pp 13-18."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0056,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/energy_ccpp_output.html","json":"/reports/json/energy_ccpp_output.json","docx":"/reports/docx/energy_ccpp_output.docx"},{"key":"energy_isothermal_work","domain":"energy / 等温可逆膨胀功","dim":5,"bounds":[[0.1,10],[8.3138,8.3145],[200,800],[0.01,1],[1,10]],"published":"可逆等温膨胀功 W=nRT·ln(V₂/V₁)（理想气体，定义式，无近似）","references":["Callen H.B. (1985). Thermodynamics and an Introduction to Thermostatistics, 2nd ed. Ch.3.","CODATA (2018). Recommended Values of Physical Constants (R = 8.314462618 J/mol/K)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0055,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/energy_isothermal_work.html","json":"/reports/json/energy_isothermal_work.json","docx":"/reports/docx/energy_isothermal_work.docx"},{"key":"energy_rankine_efficiency","domain":"energy / Rankine 循环实际效率与 Carnot 之比","dim":4,"bounds":[[400,900],[280,400],[0.6,0.99],[0.6,0.99]],"published":"简化 Rankine 循环效率：η=1−T_c/T_h 乘以部件效率因子（火电厂「可逆进程」度量）","references":["Cengel Y.A., Boles M.A. (2015). Thermodynamics: An Engineering Approach, 8th ed. Ch.10 (Rankine cycle)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0048,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/energy_rankine_efficiency.html","json":"/reports/json/energy_rankine_efficiency.json","docx":"/reports/docx/energy_rankine_efficiency.docx"},{"key":"fin_merton_call_div","domain":"finance / Merton 连续红利欧式看涨","dim":6,"bounds":[[50,200],[50,200],[0,0.1],[0,0.05],[0.25,2],[0.1,0.8]],"published":"Merton (1973) C=S·e^(−qT)N(d1)−K·e^(−rT)N(d2)，d1 含连续红利率 q（BS 的推广）","references":["Merton R.C. (1973). Theory of Rational Option Pricing. Bell Journal of Economics and Management Science 4, 141-183.","Hull J. (2018). Options, Futures, and Other Derivatives, 10th ed. Ch.15 (dividends)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.009,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":120,"n_test":80,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/fin_merton_call_div.html","json":"/reports/json/fin_merton_call_div.json","docx":"/reports/docx/fin_merton_call_div.docx"},{"key":"heat_radiation_flux","domain":"heat conduction (physics-informed) / Stefan-Boltzmann 净辐射换热","dim":4,"bounds":[[300,1200],[250,1100],[0.3,0.95],[0.5,10]],"published":"Stefan-Boltzmann 定律 εσA(T1⁴−T2⁴)，σ=5.670374419e-8 W/m²K⁴（CODATA 2018）","references":["Incropera F.P. et al. (2017). Fundamentals of Heat and Mass Transfer, 7th ed. Ch.12 (radiation).","Stefan J., Boltzmann L. (1881). über die gesetzmäßige Verbreitung der Wärme. Wien. Annalen 20, 667-689."],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9991,"r2_core":0.9999,"coverage":0.95,"rmse_rel":0.0306,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/heat_radiation_flux.html","json":"/reports/json/heat_radiation_flux.json","docx":"/reports/docx/heat_radiation_flux.docx"},{"key":"heat_series_resistance","domain":"heat conduction (physics-informed) / 串联热阻稳态导热","dim":8,"bounds":[[0.01,0.1],[0.01,0.1],[0.01,0.1],[1,200],[1,200],[1,200],[0.5,5],[10,200]],"published":"1D 稳态导热的傅里叶定律精确解（串联热阻相加）——无任何近似，oracle 即物理定律本身","references":["Incropera F.P. et al. (2017). Fundamentals of Heat and Mass Transfer, 7th ed. Ch.2 (1D steady-state conduction)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0083,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/heat_series_resistance.html","json":"/reports/json/heat_series_resistance.json","docx":"/reports/docx/heat_series_resistance.docx"},{"key":"llm_chinchilla_loss","domain":"llm / Chinchilla 计算最优训练损失","dim":2,"bounds":[[1000000,10000000000],[10000000,100000000000]],"published":"Kaplan et al. (2020) Eq. 1.1: L(N,D)=A/N^α+B/D^β，系数 A=406.4 α=0.34 B=410.7 β=0.28","references":["Kaplan J. et al. (2020). Scaling Laws for Neural Language Models. arXiv:2001.08361."],"verdict":"PASS","rationale":"out-of-sample R²=0.998 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9983,"r2_core":0.9986,"coverage":0.967,"rmse_rel":0.0414,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1.145,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"LLM 科研推理链的评分 / 一致性检测","en":"LLM reasoning-chain scoring and consistency checks"},"forbidden_use":{"zh":["不能用它证明 LLM 的科学推理正确","不能用于医疗或法律结论"],"en":["Not evidence that LLM scientific reasoning is correct","Not for medical or legal conclusions"]},"wet_lab_grade":null,"html":"/reports/html/llm_chinchilla_loss.html","json":"/reports/json/llm_chinchilla_loss.json","docx":"/reports/docx/llm_chinchilla_loss.docx"},{"key":"llm_compute_optimal_ratio","domain":"llm / Chinchilla 最优 D/N 比","dim":2,"bounds":[[1000000,10000000000],[0.5,2]],"published":"Kaplan et al. (2020) §4 理论最优 D/N=(Bα/(Aβ))^(1/(α−β))≈20.7","references":["Kaplan J. et al. (2020). Scaling Laws for Neural Language Models. arXiv:2001.08361.","Hoffmann J. et al. (2022). Training Compute-Optimal Large Language Models. arXiv:2203.15556 (Chinchilla)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":1,"coverage":1,"rmse_rel":0.0079,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"LLM 科研推理链的评分 / 一致性检测","en":"LLM reasoning-chain scoring and consistency checks"},"forbidden_use":{"zh":["不能用它证明 LLM 的科学推理正确","不能用于医疗或法律结论"],"en":["Not evidence that LLM scientific reasoning is correct","Not for medical or legal conclusions"]},"wet_lab_grade":null,"html":"/reports/html/llm_compute_optimal_ratio.html","json":"/reports/json/llm_compute_optimal_ratio.json","docx":"/reports/docx/llm_compute_optimal_ratio.docx"},{"key":"llm_scaling","domain":"LLM/Scaling Law (Kaplan 2020)","dim":1,"bounds":[[7,11]],"published":"Scaling Law L(N)=(N_c/N)^α, α=0.076, N_c=6.4e13 (Kaplan 2020 Published Coefficient, nats)","references":["Kaplan J., McCandlish S., Henighan T., et al. (2020). Scaling Laws for Neural Language Models. arXiv:2001.08361.","Hoffmann J., Borgeaud S., Mensch A., et al. (2022). Training Compute-Optimal Large Language Models. arXiv:2203.15556. (Chinchilla Scaling Law Comparison)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0065,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"LLM 科研推理链的评分 / 一致性检测","en":"LLM reasoning-chain scoring and consistency checks"},"forbidden_use":{"zh":["不能用它证明 LLM 的科学推理正确","不能用于医疗或法律结论"],"en":["Not evidence that LLM scientific reasoning is correct","Not for medical or legal conclusions"]},"wet_lab_grade":null,"html":"/reports/html/llm_scaling.html","json":"/reports/json/llm_scaling.json","docx":"/reports/docx/llm_scaling.docx"},{"key":"micro_acetobacter_acetate","domain":"微生物 / 醋酸杆菌醋酸利用（温度效应 + Monod）","dim":2,"bounds":[[0.001,5],[20,50]],"published":"A. calcoaceticus: μmax=0.78 h⁻¹, Ks=0.03 g/L, T_opt=37°C (Rogness et al. 1961)","references":["A. calcoaceticus: μmax=0.78 h⁻¹, Ks=0.03 g/L, T_opt=37°C (Rogness et al. 1961)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=0.983 ≥ 0.9（校准安全，保守亦可）","r2":0.9995,"r2_core":0.9993,"coverage":0.983,"rmse_rel":0.021,"cal_err":0.033,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_acetobacter_acetate.html","json":"/reports/json/micro_acetobacter_acetate.json","docx":"/reports/docx/micro_acetobacter_acetate.docx"},{"key":"micro_antibiotic_2d","domain":"微生物 / micro_antibiotic_2d","dim":2,"bounds":[[1,200],[6,48]],"published":"Andrews 2001 (time-kill 2D)","references":["Andrews 2001 (time-kill 2D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_antibiotic_2d.html","json":"/reports/json/micro_antibiotic_2d.json","docx":"/reports/docx/micro_antibiotic_2d.docx"},{"key":"micro_antibiotic_timekill","domain":"微生物 / micro_antibiotic_timekill","dim":1,"bounds":[[1,200]],"published":"Andrews 2001 (time-kill kinetics)","references":["Andrews 2001 (time-kill kinetics)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9997,"coverage":1,"rmse_rel":0,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_antibiotic_timekill.html","json":"/reports/json/micro_antibiotic_timekill.json","docx":"/reports/docx/micro_antibiotic_timekill.docx"},{"key":"micro_biofilm_ecoli","domain":"微生物 / micro_biofilm_ecoli","dim":1,"bounds":[[0,48]],"published":"Costerton et al. 1995 (biofilm)","references":["Costerton et al. 1995 (biofilm)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0051,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_biofilm_ecoli.html","json":"/reports/json/micro_biofilm_ecoli.json","docx":"/reports/docx/micro_biofilm_ecoli.docx"},{"key":"micro_cerevisiae_ethanol","domain":"微生物 / 酿酒酵母乙醇发酵（Monod + 乙醇产物抑制）","dim":2,"bounds":[[0.001,20],[0,50]],"published":"S. cerevisiae: μmax=0.42 h⁻¹, Ks=0.025 g/L, Ki(ethanol)=40 g/L (Dussaut & Cooney 1980)","references":["S. cerevisiae: μmax=0.42 h⁻¹, Ks=0.025 g/L, Ki(ethanol)=40 g/L (Dussaut & Cooney 1980)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0068,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"UNANCHORED","html":"/reports/html/micro_cerevisiae_ethanol.html","json":"/reports/json/micro_cerevisiae_ethanol.json","docx":"/reports/docx/micro_cerevisiae_ethanol.docx"},{"key":"micro_chemostat_cerevisiae","domain":"微生物 / 酿酒酵母 Chemostat 稳态（稀释率+进料浓度→生物量）","dim":2,"bounds":[[0.01,0.35],[5,30]],"published":"Chemostat S. cerevisiae, S_f=20 g/L glucose (Dussaut & Cooney 1980)","references":["Chemostat S. cerevisiae, S_f=20 g/L glucose (Dussaut & Cooney 1980)"],"verdict":"PASS","rationale":"out-of-sample R²=0.954 ≥ 0.9, coverage=0.933 ≥ 0.9（校准安全，保守亦可）","r2":0.954,"r2_core":0.9606,"coverage":0.933,"rmse_rel":0.2146,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":5.3802,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_chemostat_cerevisiae.html","json":"/reports/json/micro_chemostat_cerevisiae.json","docx":"/reports/docx/micro_chemostat_cerevisiae.docx"},{"key":"micro_chemostat_ecoli","domain":"微生物 / E. coli Chemostat 稳态（稀释率→生物量）","dim":1,"bounds":[[0.01,0.75]],"published":"Chemostat E. coli K-12, S_f=10 g/L glucose (Rogness et al. 1961)","references":["Chemostat E. coli K-12, S_f=10 g/L glucose (Rogness et al. 1961)"],"verdict":"PASS","rationale":"out-of-sample R²=0.996 ≥ 0.9, coverage=0.975 ≥ 0.9（校准安全，保守亦可）","r2":0.9959,"r2_core":0.9998,"coverage":0.975,"rmse_rel":0.0576,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_chemostat_ecoli.html","json":"/reports/json/micro_chemostat_ecoli.json","docx":"/reports/docx/micro_chemostat_ecoli.docx"},{"key":"micro_chemostat_transient","domain":"微生物 / micro_chemostat_transient","dim":2,"bounds":[[0,0.9],[0.5,1.2]],"published":"Shuler & Kargi 2002 (chemostat transient)","references":["Shuler & Kargi 2002 (chemostat transient)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9998,"coverage":1,"rmse_rel":0.0107,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_chemostat_transient.html","json":"/reports/json/micro_chemostat_transient.json","docx":"/reports/docx/micro_chemostat_transient.docx"},{"key":"micro_coculture_mutualism","domain":"微生物 / micro_coculture_mutualism","dim":1,"bounds":[[0,48]],"published":"Grosu et al. 2014 (co-culture mutualism)","references":["Grosu et al. 2014 (co-culture mutualism)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9995,"r2_core":0.9993,"coverage":1,"rmse_rel":0.0213,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_coculture_mutualism.html","json":"/reports/json/micro_coculture_mutualism.json","docx":"/reports/docx/micro_coculture_mutualism.docx"},{"key":"micro_competition_2d","domain":"微生物 / micro_competition_2d","dim":1,"bounds":[[1,20]],"published":"Tilman 1982 (smooth competition)","references":["Tilman 1982 (smooth competition)"],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=0.975 ≥ 0.9（校准安全，保守亦可）","r2":0.9991,"r2_core":0.9998,"coverage":0.975,"rmse_rel":0.0281,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_competition_2d.html","json":"/reports/json/micro_competition_2d.json","docx":"/reports/docx/micro_competition_2d.docx"},{"key":"micro_competition_ecoli_yeast","domain":"微生物 / micro_competition_ecoli_yeast","dim":1,"bounds":[[0.5,20]],"published":"Tilman 1982 Resource Competition (multi-species)","references":["Tilman 1982 Resource Competition (multi-species)"],"verdict":"PASS","rationale":"out-of-sample R²=0.996 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9958,"r2_core":0.9991,"coverage":0.95,"rmse_rel":0.0646,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1.3763,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_competition_ecoli_yeast.html","json":"/reports/json/micro_competition_ecoli_yeast.json","docx":"/reports/docx/micro_competition_ecoli_yeast.docx"},{"key":"micro_contois_ecoli","domain":"微生物 / micro_contois_ecoli","dim":1,"bounds":[[0.01,20]],"published":"Contois 1959 Biotech Bioeng 2:264 (Contois model)","references":["Contois 1959 Biotech Bioeng 2:264 (Contois model)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0136,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_contois_ecoli.html","json":"/reports/json/micro_contois_ecoli.json","docx":"/reports/docx/micro_contois_ecoli.docx"},{"key":"micro_crabtree_2d","domain":"微生物 / micro_crabtree_2d","dim":2,"bounds":[[5,25],[20,40]],"published":"Crabtree 1929 (Crabtree 2D)","references":["Crabtree 1929 (Crabtree 2D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0039,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_crabtree_2d.html","json":"/reports/json/micro_crabtree_2d.json","docx":"/reports/docx/micro_crabtree_2d.docx"},{"key":"micro_crabtree_cerevisiae","domain":"微生物 / micro_crabtree_cerevisiae","dim":1,"bounds":[[0,36]],"published":"Crabtree 1929 JPB 53:394 (Crabtree effect)","references":["Crabtree 1929 JPB 53:394 (Crabtree effect)"],"verdict":"PASS","rationale":"out-of-sample R²=0.998 ≥ 0.9, coverage=0.925 ≥ 0.9（校准安全，保守亦可）","r2":0.9978,"r2_core":0.9971,"coverage":0.925,"rmse_rel":0.047,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"UNANCHORED","html":"/reports/html/micro_crabtree_cerevisiae.html","json":"/reports/json/micro_crabtree_cerevisiae.json","docx":"/reports/docx/micro_crabtree_cerevisiae.docx"},{"key":"micro_dead_volume","domain":"微生物 / micro_dead_volume","dim":2,"bounds":[[1,20],[1,8]],"published":"Froment & Bischoff 2012 (CSTR-in-series, dead volume)","references":["Froment & Bischoff 2012 (CSTR-in-series, dead volume)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9995,"r2_core":0.9999,"coverage":0.967,"rmse_rel":0.022,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_dead_volume.html","json":"/reports/json/micro_dead_volume.json","docx":"/reports/docx/micro_dead_volume.docx"},{"key":"micro_diauxic_2d","domain":"微生物 / micro_diauxic_2d","dim":2,"bounds":[[0.5,10],[0.5,10]],"published":"Monod 1947 (diauxie 2D)","references":["Monod 1947 (diauxie 2D)"],"verdict":"PASS","rationale":"out-of-sample R²=0.997 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9969,"r2_core":0.9998,"coverage":0.967,"rmse_rel":0,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_diauxic_2d.html","json":"/reports/json/micro_diauxic_2d.json","docx":"/reports/docx/micro_diauxic_2d.docx"},{"key":"micro_diauxic_ecoli","domain":"微生物 / micro_diauxic_ecoli","dim":1,"bounds":[[0,24]],"published":"Monod 1947 (diauxie)","references":["Monod 1947 (diauxie)"],"verdict":"PASS","rationale":"out-of-sample R²=0.997 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9974,"r2_core":0.9905,"coverage":0.95,"rmse_rel":0.06,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1.2472,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_diauxic_ecoli.html","json":"/reports/json/micro_diauxic_ecoli.json","docx":"/reports/docx/micro_diauxic_ecoli.docx"},{"key":"micro_doe_ecoli_monod","domain":"微生物 / micro_doe_ecoli_monod","dim":2,"bounds":[[0.001,10],[25,45]],"published":"Montgomery 2012 DOE","references":["Montgomery 2012 DOE"],"verdict":"PASS","rationale":"out-of-sample R²=0.998 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9983,"r2_core":0.8856,"coverage":1,"rmse_rel":0.0463,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"AGREE","html":"/reports/html/micro_doe_ecoli_monod.html","json":"/reports/json/micro_doe_ecoli_monod.json","docx":"/reports/docx/micro_doe_ecoli_monod.docx"},{"key":"micro_ecoli_glucose","domain":"微生物 / E. coli 批次培养（Monod, 文献参数）","dim":1,"bounds":[[0.001,10]],"published":"E. coli K-12: μmax=0.81 h⁻¹, Ks=0.004 g/L (Monod 1949; Shuler & Kargi 2002)","references":["E. coli K-12: μmax=0.81 h⁻¹, Ks=0.004 g/L (Monod 1949; Shuler & Kargi 2002)"],"verdict":"PASS","rationale":"out-of-sample R²=0.992 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9922,"r2_core":0.7009,"coverage":1,"rmse_rel":0.0764,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"AGREE","html":"/reports/html/micro_ecoli_glucose.html","json":"/reports/json/micro_ecoli_glucose.json","docx":"/reports/docx/micro_ecoli_glucose.docx"},{"key":"micro_fba_flux","domain":"微生物 / micro_fba_flux","dim":2,"bounds":[[0.1,1],[0.1,1]],"published":"Edwards & Palsson 2000 (FBA framework, E. coli)","references":["Edwards & Palsson 2000 (FBA framework, E. coli)"],"verdict":"PASS","rationale":"out-of-sample R²=0.956 ≥ 0.9, coverage=0.983 ≥ 0.9（校准安全，保守亦可）","r2":0.9557,"r2_core":0.9116,"coverage":0.983,"rmse_rel":0.2106,"cal_err":0.033,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_fba_flux.html","json":"/reports/json/micro_fba_flux.json","docx":"/reports/docx/micro_fba_flux.docx"},{"key":"micro_fedbatch_2d","domain":"微生物 / micro_fedbatch_2d","dim":2,"bounds":[[0.01,0.2],[5,100]],"published":"Shuler & Kargi 2002 (fed-batch 2D)","references":["Shuler & Kargi 2002 (fed-batch 2D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0035,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_fedbatch_2d.html","json":"/reports/json/micro_fedbatch_2d.json","docx":"/reports/docx/micro_fedbatch_2d.docx"},{"key":"micro_fedbatch_3d","domain":"微生物 / micro_fedbatch_3d","dim":3,"bounds":[[12,72],[0.01,0.2],[5,100]],"published":"Shuler & Kargi 2002 (fed-batch 3D)","references":["Shuler & Kargi 2002 (fed-batch 3D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0047,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_fedbatch_3d.html","json":"/reports/json/micro_fedbatch_3d.json","docx":"/reports/docx/micro_fedbatch_3d.docx"},{"key":"micro_fedbatch_ecoli","domain":"微生物 / micro_fedbatch_ecoli","dim":1,"bounds":[[0.1,5]],"published":"Shuler & Kargi 2002 (fed-batch)","references":["Shuler & Kargi 2002 (fed-batch)"],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9994,"r2_core":0.9993,"coverage":0.95,"rmse_rel":0.025,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_fedbatch_ecoli.html","json":"/reports/json/micro_fedbatch_ecoli.json","docx":"/reports/docx/micro_fedbatch_ecoli.docx"},{"key":"micro_foam_dynamics","domain":"微生物 / micro_foam_dynamics","dim":2,"bounds":[[0.1,2],[0,0.5]],"published":"Krebes & Scharaschkin 1996 (foam in bioreactors)","references":["Krebes & Scharaschkin 1996 (foam in bioreactors)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0134,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_foam_dynamics.html","json":"/reports/json/micro_foam_dynamics.json","docx":"/reports/docx/micro_foam_dynamics.docx"},{"key":"micro_gene_expression","domain":"微生物 / micro_gene_expression","dim":2,"bounds":[[0.5,5],[0.5,3]],"published":"Bashor & Meyer 2017 (gene expression dynamics)","references":["Bashor & Meyer 2017 (gene expression dynamics)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9998,"coverage":1,"rmse_rel":0.0138,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_gene_expression.html","json":"/reports/json/micro_gene_expression.json","docx":"/reports/docx/micro_gene_expression.docx"},{"key":"micro_haldane_2d","domain":"微生物 / micro_haldane_2d","dim":2,"bounds":[[0.001,5],[25,40]],"published":"Haldane 1956 (2D)","references":["Haldane 1956 (2D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0081,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_haldane_2d.html","json":"/reports/json/micro_haldane_2d.json","docx":"/reports/docx/micro_haldane_2d.docx"},{"key":"micro_haldane_putida","domain":"微生物 / micro_haldane_putida","dim":1,"bounds":[[0.001,5]],"published":"Haldane 1956 Biochemistry of Industrial Fermentation (Haldane model)","references":["Haldane 1956 Biochemistry of Industrial Fermentation (Haldane model)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.009,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_haldane_putida.html","json":"/reports/json/micro_haldane_putida.json","docx":"/reports/docx/micro_haldane_putida.docx"},{"key":"micro_heavy_metal_ecoli","domain":"微生物 / micro_heavy_metal_ecoli","dim":1,"bounds":[[0,10]],"published":"Kumar et al. 2012 (heavy metal stress)","references":["Kumar et al. 2012 (heavy metal stress)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0078,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_heavy_metal_ecoli.html","json":"/reports/json/micro_heavy_metal_ecoli.json","docx":"/reports/docx/micro_heavy_metal_ecoli.docx"},{"key":"micro_immobilized_cell","domain":"微生物 / micro_immobilized_cell","dim":2,"bounds":[[0.01,0.5],[0.001,0.01]],"published":"Shuler & Kargi 2002 (immobilized cells)","references":["Shuler & Kargi 2002 (immobilized cells)"],"verdict":"PASS","rationale":"out-of-sample R²=0.998 ≥ 0.9, coverage=0.917 ≥ 0.9（校准安全，保守亦可）","r2":0.9982,"r2_core":0.9985,"coverage":0.917,"rmse_rel":0.0418,"cal_err":0.033,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1.0461,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_immobilized_cell.html","json":"/reports/json/micro_immobilized_cell.json","docx":"/reports/docx/micro_immobilized_cell.docx"},{"key":"micro_lactococcus_lactose","domain":"微生物 / 乳酸乳球菌乳酸发酵（pH 效应 + 底物抑制）","dim":2,"bounds":[[0.01,10],[4.5,8.5]],"published":"L. lactis NZ9000: μmax=0.55 h⁻¹, Ks=0.3 g/L, Ki(lactose)=80 g/L (Luedtke & Schlegel 1973)","references":["L. lactis NZ9000: μmax=0.55 h⁻¹, Ks=0.3 g/L, Ki(lactose)=80 g/L (Luedtke & Schlegel 1973)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_lactococcus_lactose.html","json":"/reports/json/micro_lactococcus_lactose.json","docx":"/reports/docx/micro_lactococcus_lactose.docx"},{"key":"micro_lag_ecoli","domain":"微生物 / micro_lag_ecoli","dim":1,"bounds":[[0,20]],"published":"Baranyi & Roberts 1994 IJF 10:300 (lag phase)","references":["Baranyi & Roberts 1994 IJF 10:300 (lag phase)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0085,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_lag_ecoli.html","json":"/reports/json/micro_lag_ecoli.json","docx":"/reports/docx/micro_lag_ecoli.docx"},{"key":"micro_lifecycle_ecoli","domain":"微生物 / micro_lifecycle_ecoli","dim":1,"bounds":[[0,48]],"published":"Baranyi 1993 (full lifecycle)","references":["Baranyi 1993 (full lifecycle)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.005,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_lifecycle_ecoli.html","json":"/reports/json/micro_lifecycle_ecoli.json","docx":"/reports/docx/micro_lifecycle_ecoli.docx"},{"key":"micro_methanobacterium_methane","domain":"微生物 / 产甲烷古菌甲烷利用（低 μmax 极端场景）","dim":1,"bounds":[[0.001,0.1]],"published":"M. trichosporium OB3b: μmax=0.08 h⁻¹, Ks=0.02 g/L (Whitmanet al. 1995)","references":["M. trichosporium OB3b: μmax=0.08 h⁻¹, Ks=0.02 g/L (Whitmanet al. 1995)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0136,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_methanobacterium_methane.html","json":"/reports/json/micro_methanobacterium_methane.json","docx":"/reports/docx/micro_methanobacterium_methane.docx"},{"key":"micro_mixed_substrate","domain":"微生物 / micro_mixed_substrate","dim":2,"bounds":[[0.001,5],[0.001,10]],"published":"Roels 1983 (mixed substrate utilization)","references":["Roels 1983 (mixed substrate utilization)"],"verdict":"PASS","rationale":"out-of-sample R²=0.997 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9974,"r2_core":0.9932,"coverage":1,"rmse_rel":0.0512,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_mixed_substrate.html","json":"/reports/json/micro_mixed_substrate.json","docx":"/reports/docx/micro_mixed_substrate.docx"},{"key":"micro_mle_ecoli_monod","domain":"微生物 / micro_mle_ecoli_monod","dim":1,"bounds":[[0.001,5]],"published":"Vogel 2004 (Bayesian estimation)","references":["Vogel 2004 (Bayesian estimation)"],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9989,"r2_core":0.9209,"coverage":1,"rmse_rel":0.0303,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"AGREE","html":"/reports/html/micro_mle_ecoli_monod.html","json":"/reports/json/micro_mle_ecoli_monod.json","docx":"/reports/docx/micro_mle_ecoli_monod.docx"},{"key":"micro_osmotic_ecoli","domain":"微生物 / micro_osmotic_ecoli","dim":1,"bounds":[[0.9,1]],"published":"Rose 2008 Bacterial Osmotic Stress","references":["Rose 2008 Bacterial Osmotic Stress"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9996,"r2_core":0.9995,"coverage":1,"rmse_rel":0.0192,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_osmotic_ecoli.html","json":"/reports/json/micro_osmotic_ecoli.json","docx":"/reports/docx/micro_osmotic_ecoli.docx"},{"key":"micro_oxidative_stress","domain":"微生物 / micro_oxidative_stress","dim":1,"bounds":[[0,3]],"published":"Imlay 2008 (oxidative stress)","references":["Imlay 2008 (oxidative stress)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0064,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_oxidative_stress.html","json":"/reports/json/micro_oxidative_stress.json","docx":"/reports/docx/micro_oxidative_stress.docx"},{"key":"micro_oxygen_2d","domain":"微生物 / micro_oxygen_2d","dim":2,"bounds":[[0.001,10],[0.01,8]],"published":"Shuler & Kargi 2002 (O2 2D)","references":["Shuler & Kargi 2002 (O2 2D)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9989,"coverage":1,"rmse_rel":0.0178,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_oxygen_2d.html","json":"/reports/json/micro_oxygen_2d.json","docx":"/reports/docx/micro_oxygen_2d.docx"},{"key":"micro_oxygen_ecoli","domain":"微生物 / micro_oxygen_ecoli","dim":1,"bounds":[[0.01,8]],"published":"Shuler & Kargi 2002 (oxygen limitation)","references":["Shuler & Kargi 2002 (oxygen limitation)"],"verdict":"PASS","rationale":"out-of-sample R²=0.995 ≥ 0.9, coverage=0.975 ≥ 0.9（校准安全，保守亦可）","r2":0.9949,"r2_core":0.9998,"coverage":0.975,"rmse_rel":0.0713,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_oxygen_ecoli.html","json":"/reports/json/micro_oxygen_ecoli.json","docx":"/reports/docx/micro_oxygen_ecoli.docx"},{"key":"micro_ph_control","domain":"微生物 / micro_ph_control","dim":2,"bounds":[[25,45],[4.5,8.5]],"published":"Shuler & Kargi 2002 (pH control)","references":["Shuler & Kargi 2002 (pH control)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0105,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_ph_control.html","json":"/reports/json/micro_ph_control.json","docx":"/reports/docx/micro_ph_control.docx"},{"key":"micro_phage_infection","domain":"微生物 / micro_phage_infection","dim":2,"bounds":[[0,100],[0.5,6]],"published":"Luria & Delbrück 1943 (phage infection)","references":["Luria & Delbrück 1943 (phage infection)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0036,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_phage_infection.html","json":"/reports/json/micro_phage_infection.json","docx":"/reports/docx/micro_phage_infection.docx"},{"key":"micro_pirt_ecoli","domain":"微生物 / micro_pirt_ecoli","dim":1,"bounds":[[0.001,10]],"published":"Pirt 1965 Newer Studies in Microbiology (Pirt maintenance)","references":["Pirt 1965 Newer Studies in Microbiology (Pirt maintenance)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9255,"coverage":1,"rmse_rel":0.0118,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"NEAR","html":"/reports/html/micro_pirt_ecoli.html","json":"/reports/json/micro_pirt_ecoli.json","docx":"/reports/docx/micro_pirt_ecoli.docx"},{"key":"micro_plasmid_stability","domain":"微生物 / micro_plasmid_stability","dim":2,"bounds":[[5,40],[0,0.05]],"published":"Stewart 1978 (plasmid stability)","references":["Stewart 1978 (plasmid stability)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0035,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_plasmid_stability.html","json":"/reports/json/micro_plasmid_stability.json","docx":"/reports/docx/micro_plasmid_stability.docx"},{"key":"micro_putida_toluene","domain":"微生物 / 假单胞菌甲苯降解（Andrews 底物抑制）","dim":1,"bounds":[[0.001,5]],"published":"P. putida MT-2: μmax=0.35 h⁻¹, Ks=0.02 g/L, Ki(toluene)=2.5 g/L (Rothman et al. 1993)","references":["P. putida MT-2: μmax=0.35 h⁻¹, Ks=0.02 g/L, Ki(toluene)=2.5 g/L (Rothman et al. 1993)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0098,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_putida_toluene.html","json":"/reports/json/micro_putida_toluene.json","docx":"/reports/docx/micro_putida_toluene.docx"},{"key":"micro_quorum_ecoli","domain":"微生物 / micro_quorum_ecoli","dim":1,"bounds":[[0,48]],"published":"Basler & Bassler 2011 (quorum sensing)","references":["Basler & Bassler 2011 (quorum sensing)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9997,"coverage":1,"rmse_rel":0.0141,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_quorum_ecoli.html","json":"/reports/json/micro_quorum_ecoli.json","docx":"/reports/docx/micro_quorum_ecoli.docx"},{"key":"micro_scaleup_kla","domain":"微生物 / micro_scaleup_kla","dim":1,"bounds":[[0.1,1000]],"published":"Shuler & Kargi 2002 (scale-up)","references":["Shuler & Kargi 2002 (scale-up)"],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=0.975 ≥ 0.9（校准安全，保守亦可）","r2":0.9989,"r2_core":0.9992,"coverage":0.975,"rmse_rel":0.0297,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1.2812,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_scaleup_kla.html","json":"/reports/json/micro_scaleup_kla.json","docx":"/reports/docx/micro_scaleup_kla.docx"},{"key":"micro_secondary_metabolite","domain":"微生物 / micro_secondary_metabolite","dim":1,"bounds":[[10,36]],"published":"Luedeking & Piret 1959 (secondary metabolite, Gaden III)","references":["Luedeking & Piret 1959 (secondary metabolite, Gaden III)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0145,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_secondary_metabolite.html","json":"/reports/json/micro_secondary_metabolite.json","docx":"/reports/docx/micro_secondary_metabolite.docx"},{"key":"micro_sensor_fusion","domain":"微生物 / micro_sensor_fusion","dim":2,"bounds":[[1,10],[0.1,5]],"published":"Gelb 1974 (Kalman filter / Bayesian fusion)","references":["Gelb 1974 (Kalman filter / Bayesian fusion)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0068,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_sensor_fusion.html","json":"/reports/json/micro_sensor_fusion.json","docx":"/reports/docx/micro_sensor_fusion.docx"},{"key":"micro_sobol_ecoli","domain":"微生物 / micro_sobol_ecoli","dim":1,"bounds":[[0.001,5]],"published":"Sobol 2001 (global sensitivity)","references":["Sobol 2001 (global sensitivity)"],"verdict":"PASS","rationale":"out-of-sample R²=0.994 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9944,"r2_core":0.9578,"coverage":1,"rmse_rel":0.0716,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"NEAR","html":"/reports/html/micro_sobol_ecoli.html","json":"/reports/json/micro_sobol_ecoli.json","docx":"/reports/docx/micro_sobol_ecoli.docx"},{"key":"micro_tessier_ecoli","domain":"微生物 / micro_tessier_ecoli","dim":1,"bounds":[[0.0005,0.5]],"published":"Tessier 1956 Arch Mikrobiol 25:102 (Tessier model)","references":["Tessier 1956 Arch Mikrobiol 25:102 (Tessier model)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0078,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/micro_tessier_ecoli.html","json":"/reports/json/micro_tessier_ecoli.json","docx":"/reports/docx/micro_tessier_ecoli.docx"},{"key":"micro_thermal_death","domain":"微生物 / micro_thermal_death","dim":1,"bounds":[[60,100]],"published":"Earley 1976 (F-value sterilization)","references":["Earley 1976 (F-value sterilization)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":1,"r2_core":1,"coverage":1,"rmse_rel":0.0058,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"CONTRADICTED","html":"/reports/html/micro_thermal_death.html","json":"/reports/json/micro_thermal_death.json","docx":"/reports/docx/micro_thermal_death.docx"},{"key":"micro_uq_ecoli_monod","domain":"微生物 / micro_uq_ecoli_monod","dim":1,"bounds":[[0.001,5]],"published":"Svensson 1999 (UQ in bioprocess)","references":["Svensson 1999 (UQ in bioprocess)"],"verdict":"PASS","rationale":"out-of-sample R²=0.997 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9966,"r2_core":0.9133,"coverage":1,"rmse_rel":0.0581,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"wet_lab_anchored","validation_type_label":{"zh":"湿实验锚定","en":"wet-lab anchored","desc_zh":"参数落在真实湿实验文献区间内（第二证据链在位）","desc_en":"Parameters fall inside a real wet-lab literature range"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"NEAR","html":"/reports/html/micro_uq_ecoli_monod.html","json":"/reports/json/micro_uq_ecoli_monod.json","docx":"/reports/docx/micro_uq_ecoli_monod.docx"},{"key":"microbio_inhibition","domain":"Microorganisms/Substrate Inhibition (Andrews)","dim":1,"bounds":[[0.05,3]],"published":"Andrews 1968 Substrate Inhibition μ=μmax·S/(Ks+S+S²/Ki), Ki≈1.0 g/L (literature representative values)","references":["Andrews J.F. (1968). A mathematical model for the continuous culture of microorganisms utilizing inhibitory substrates. Biotechnol. Bioeng. 10(6):707-723.","Shuler M.L., Kargi F. (2002). Bioprocess Engineering Principles (2nd ed.). Prentice Hall. (Ki≈1.0 g/L Ethanol Inhibition Representative Value)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=0.975 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9994,"coverage":0.975,"rmse_rel":0.0189,"cal_err":0.025,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/microbio_inhibition.html","json":"/reports/json/microbio_inhibition.json","docx":"/reports/docx/microbio_inhibition.docx"},{"key":"microbio_monod","domain":"Microorganisms/Growth Kinetics (Monod)","dim":1,"bounds":[[0.02,2]],"published":"Monod 1949: μ(S)=μmax·S/(Ks+S), E.coli μmax=0.81 h⁻¹, Ks=0.22 g/L (literature representative values)","references":["Monod J. (1949). The growth of bacterial cultures. Annu. Rev. Microbiol. 3:371-394.","Shuler M.L., Kargi F. (2002). Bioprocess Engineering Principles (2nd ed.). Prentice Hall. (E. coli μmax≈0.81 h⁻¹, Ks≈0.22 g/L representative values)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9998,"coverage":1,"rmse_rel":0.0172,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"微生物生长动力学参数校准、发酵工艺参数扫描的定性排序","en":"Microbial growth kinetics parameter calibration; fermentation parameter ranking (qualitative)"},"forbidden_use":{"zh":["不能直接指导真实发酵生产（菌株/菌龄/培养基批次差异远大于模型精度）","不能替代湿实验确定灭菌/接种参数","不能用于受监管的制剂或药物工艺决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for direct real-fermentation production guidance (strain/age/media batch variability >> model precision)","Not a substitute for wet-lab sterilization / inoculation protocols","Not for regulated pharmaceutical process decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":"CONTRADICTED","html":"/reports/html/microbio_monod.html","json":"/reports/json/microbio_monod.json","docx":"/reports/docx/microbio_monod.docx"},{"key":"mol_esterification_yield","domain":"chemistry","dim":10,"bounds":[[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5]],"published":"12 substrate pairs with known yields (Gaussian response surface gold)","references":["Pd-catalyzed cross-coupling yield benchmarks","Fischer esterification yield data"],"verdict":"PASS","rationale":"out-of-sample R²=0.965 ≥ 0.9, coverage=0.983 ≥ 0.9（校准安全，保守亦可）","r2":0.9647,"r2_core":0.9918,"coverage":0.983,"rmse_rel":0.2024,"cal_err":0.033,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":3.3249,"high_freq":false,"replication_passed":false,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/mol_esterification_yield.html","json":"/reports/json/mol_esterification_yield.json","docx":"/reports/docx/mol_esterification_yield.docx"},{"key":"mol_suzuki_yield","domain":"chemistry","dim":10,"bounds":[[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5],[-2.5,2.5]],"published":"12 substrate pairs with known yields (Gaussian response surface gold)","references":["Pd-catalyzed cross-coupling yield benchmarks","Fischer esterification yield data"],"verdict":"REFUTED","rationale":"R²=0.330 < 0.7（拟合不足）","r2":0.3299,"r2_core":0.9611,"coverage":0.95,"rmse_rel":0.8192,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1.174,"high_freq":false,"replication_passed":false,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/mol_suzuki_yield.html","json":"/reports/json/mol_suzuki_yield.json","docx":"/reports/docx/mol_suzuki_yield.docx"},{"key":"neuro_hh_spike_amplitude","domain":"neuroscience","dim":7,"bounds":[[0.5,2],[100,200],[20,60],[0.1,1],[40,60],[-90,-70],[-70,-40]],"published":"Hodgkin-Huxley 四变量神经元模型，数值积分求解","references":["Hodgkin A.L., Huxley A.F. (1952). A quantitative description of membrane current and its application to conduction and excitation in nerve. J. Physiol., 117(4): 500-544."],"verdict":"MARGINAL","rationale":"R²=0.975 ≥ 0.7 且 coverage=0.833 ≥ 0.8，但有一项未达 PASS 门槛","r2":0.9754,"r2_core":0.9246,"coverage":0.833,"rmse_rel":0.1569,"cal_err":0.117,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":30,"calibration_scale":2.1403,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/neuro_hh_spike_amplitude.html","json":"/reports/json/neuro_hh_spike_amplitude.json","docx":"/reports/docx/neuro_hh_spike_amplitude.docx"},{"key":"neuro_izhikevich_rate","domain":"neuroscience / Izhikevich 神经元放电频率","dim":5,"bounds":[[0.02,0.2],[0.2,0.3],[45,70],[4,8],[0,25]],"published":"Izhikevich (2003) 4 参数二维神经元模型，Euler 积分 1000ms 统计放电数","references":["Izhikevich E.M. (2003). Which model to use for cortical spiking neurons? IEEE Trans. Neural Networks 14, 1449-1458."],"verdict":"PASS","rationale":"out-of-sample R²=0.978 ≥ 0.9, coverage=0.933 ≥ 0.9（校准安全，保守亦可）","r2":0.978,"r2_core":0.9627,"coverage":0.933,"rmse_rel":0.1485,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":4.0217,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/neuro_izhikevich_rate.html","json":"/reports/json/neuro_izhikevich_rate.json","docx":"/reports/docx/neuro_izhikevich_rate.docx"},{"key":"neuro_lif_fi","domain":"neuroscience / LIF 神经元 f-I 曲线","dim":7,"bounds":[[0,10],[5,30],[-75,-65],[-60,-45],[-70,-58],[1,5],[0.5,5]],"published":"LIF 稳态放电频率解析解 f=1/[T_ref+τ·ln((V_th−V_rest)/(V_th−V_reset−R·I))]","references":["Abbott L.F. van Vreeswijk C. (2000). Activity-dependent changes in intrinsic excitability of cultured neurons. Science 287, 227-230.","Gerstner W. Kistler R.N. (2002). Spiking Neuron Models. Cambridge University Press, Ch.4."],"verdict":"MARGINAL","rationale":"R²=0.794 ≥ 0.7 且 coverage=0.950 ≥ 0.8，但有一项未达 PASS 门槛","r2":0.7935,"r2_core":0.9902,"coverage":0.95,"rmse_rel":0.4556,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":60,"n_test":60,"calibration_scale":1.0452,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/neuro_lif_fi.html","json":"/reports/json/neuro_lif_fi.json","docx":"/reports/docx/neuro_lif_fi.docx"},{"key":"ode_lotka_volterra","domain":"biology","dim":2,"bounds":[[0.1,2],[0.1,3]],"published":"Lotka-Volterra 参数-响应代理（非拟态基准，供 GP 代理练习）","references":["Lotka 1925, Volterra 1926"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9995,"r2_core":0.9997,"coverage":1,"rmse_rel":0.0216,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/ode_lotka_volterra.html","json":"/reports/json/ode_lotka_volterra.json","docx":"/reports/docx/ode_lotka_volterra.docx"},{"key":"opt_ackley2d","domain":"optimization","dim":2,"bounds":[[-32.768,32.768],[-32.768,32.768]],"published":"global min = 0 at x=(0,0)","references":["Ackley 1987, A Connectionist Machine for Genetic Hillclimbing"],"verdict":"PASS","rationale":"out-of-sample R²=0.978 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9781,"r2_core":0.9582,"coverage":0.967,"rmse_rel":0.1479,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":4.2429,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_ackley2d.html","json":"/reports/json/opt_ackley2d.json","docx":"/reports/docx/opt_ackley2d.docx"},{"key":"opt_gramacylee1d","domain":"optimization","dim":1,"bounds":[[0.5,8]],"published":"Gramacy & Lee 2012 test function (1D multimodal)","references":["Gramacy & Lee 2012, J. Stat. Software"],"verdict":"PASS","rationale":"out-of-sample R²=0.997 ≥ 0.9, coverage=0.950 ≥ 0.9（校准安全，保守亦可）","r2":0.9973,"r2_core":0.9959,"coverage":0.95,"rmse_rel":0.0519,"cal_err":0,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1.2944,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_gramacylee1d.html","json":"/reports/json/opt_gramacylee1d.json","docx":"/reports/docx/opt_gramacylee1d.docx"},{"key":"opt_hartmann3d","domain":"optimization","dim":3,"bounds":[[0,1],[0,1],[0,1]],"published":"global min ≈ -3.86278","references":["Hartmann 1972, J. Global Optim."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9997,"coverage":1,"rmse_rel":0.0134,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":60,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_hartmann3d.html","json":"/reports/json/opt_hartmann3d.json","docx":"/reports/docx/opt_hartmann3d.docx"},{"key":"opt_levy2d","domain":"optimization","dim":2,"bounds":[[-10,10],[-10,10]],"published":"global min = 0 at x=(1,1)","references":["Levy & Montalvo 1981, SIAM J. Sci. Stat. Comput."],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9985,"r2_core":0.999,"coverage":0.967,"rmse_rel":0.0382,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_levy2d.html","json":"/reports/json/opt_levy2d.json","docx":"/reports/docx/opt_levy2d.docx"},{"key":"opt_michalewicz2d","domain":"optimization","dim":2,"bounds":[[0,3.141592653589793],[0,3.141592653589793]],"published":"approx min = -1.8013 at m=10","references":["Michalewicz 1996, Genetic Algorithms + Data Structures = Evolution Programs"],"verdict":"PASS","rationale":"out-of-sample R²=0.991 ≥ 0.9, coverage=0.933 ≥ 0.9（校准安全，保守亦可）","r2":0.9907,"r2_core":0.9773,"coverage":0.933,"rmse_rel":0.0963,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1.7669,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_michalewicz2d.html","json":"/reports/json/opt_michalewicz2d.json","docx":"/reports/docx/opt_michalewicz2d.docx"},{"key":"opt_rastrigin2d","domain":"optimization","dim":2,"bounds":[[-5.12,5.12],[-5.12,5.12]],"published":"global min = 0 at x=(0,0)","references":["Rastrigin 1974, Systems of extremal control"],"verdict":"PASS","rationale":"out-of-sample R²=0.956 ≥ 0.9, coverage=0.917 ≥ 0.9（校准安全，保守亦可）","r2":0.9563,"r2_core":0.9072,"coverage":0.917,"rmse_rel":0.2091,"cal_err":0.033,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":2.921,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_rastrigin2d.html","json":"/reports/json/opt_rastrigin2d.json","docx":"/reports/docx/opt_rastrigin2d.docx"},{"key":"opt_rosenbrock2d","domain":"optimization","dim":2,"bounds":[[-2,2],[-1,3]],"published":"global min = 0 at x=(1,1)","references":["Rosenbrock 1960, Annals of Mathematical Statistics"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=0.967 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9997,"coverage":0.967,"rmse_rel":0.0183,"cal_err":0.017,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_rosenbrock2d.html","json":"/reports/json/opt_rosenbrock2d.json","docx":"/reports/docx/opt_rosenbrock2d.docx"},{"key":"opt_schwefel2d","domain":"optimization","dim":2,"bounds":[[-500,500],[-500,500]],"published":"global min = 0 at x=(420.9687, 420.9687)","references":["Schwefel 1981, Evolution and Optimum Seeking"],"verdict":"PASS","rationale":"out-of-sample R²=0.999 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9993,"r2_core":0.9981,"coverage":1,"rmse_rel":0.0256,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":true,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/opt_schwefel2d.html","json":"/reports/json/opt_schwefel2d.json","docx":"/reports/docx/opt_schwefel2d.docx"},{"key":"pde_heat1d","domain":"heat conduction (physics-informed) / 1D 热传导方程解析解","dim":1,"bounds":[[0,1]],"published":"1D Heat Equation Analytical Solution u=sin(πx)e^{-π²t}","references":["Raissi M., Perdikaris P., Karniadakis G.E. (2019). Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations. J. Comput. Phys. 378:686-707.","Carslaw H.S., Jaeger J.C. (1959). Conduction of Heat in Solids (2nd ed.). Oxford University Press. (Standard Textbook for 1D Heat Equation Analytical Solutions)"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":1,"coverage":1,"rmse_rel":0.0095,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"PDE 数值解算法压测、物理信息神经网络训练基线","en":"PDE numerical-solver benchmarks, PINN training baselines"},"forbidden_use":{"zh":["不能直接迁移到真实物理实验","不能用它论证 PINN 在工业问题上的表现"],"en":["Not directly transferable to real physical experiments","Not evidence for PINN performance on industrial problems"]},"wet_lab_grade":null,"html":"/reports/html/pde_heat1d.html","json":"/reports/json/pde_heat1d.json","docx":"/reports/docx/pde_heat1d.docx"},{"key":"quant_bs_call","domain":"finance","dim":5,"bounds":[[50,200],[50,200],[0.1,1],[0,0.1],[0.1,0.6]],"published":"Black-Scholes 看涨期权定价解析公式","references":["Black F., Scholes M. (1973). The Pricing of Options and Corporate Liabilities. Journal of Political Economy, 81(3): 637-654."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9997,"r2_core":0.9995,"coverage":1,"rmse_rel":0.0184,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":80,"n_test":40,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/quant_bs_call.html","json":"/reports/json/quant_bs_call.json","docx":"/reports/docx/quant_bs_call.docx"},{"key":"resp_welch2d","domain":"optimization","dim":2,"bounds":[[0,1],[0,1]],"published":"Welch et al. 1992 SDOE test function","references":["Welch et al. 1992, Technometrics"],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0076,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"published_benchmark","validation_type_label":{"zh":"发表基准","en":"published benchmark","desc_zh":"对照已发表文献/基准数据集（含 DOI 或年份）","desc_en":"Compared against a published benchmark dataset"},"applicable_domain":{"zh":"定性探索 / 参数敏感性分析","en":"Qualitative exploration / parameter sensitivity"},"forbidden_use":{"zh":["不能用于受监管决策","外推至训练区间之外需按 mirror-run 重验"],"en":["Not for regulated decisions","Extrapolation beyond training bounds requires mirror-run revalidation"]},"wet_lab_grade":null,"html":"/reports/html/resp_welch2d.html","json":"/reports/json/resp_welch2d.json","docx":"/reports/docx/resp_welch2d.docx"},{"key":"surrogate_branin","domain":"Surrogate Modeling/Optimization (2D Benchmark)","dim":2,"bounds":[[-5,10],[0,15]],"published":"Branin min ≈ 0.397887 @ 3 known points","references":["Dixon L.C.W., Szego G.P. (1978). The global optimization problem: an introduction. In: Towards Global Optimization 2, North-Holland.","Surjanovic S., Bingham D. Virtual Library of Simulation Experiments: Branin function (surj.icics.ubc.ca)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9998,"coverage":1,"rmse_rel":0.0122,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":50,"n_test":60,"calibration_scale":1,"high_freq":false,"replication_passed":false,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"贝叶斯优化 / 高斯过程代理的算法压测","en":"Bayesian optimization / GP surrogate algorithm benchmarks"},"forbidden_use":{"zh":["不能用于任何真实工程或科研决策","不能与实验测量值对比","不能用于模型对现实世界的可信度论证"],"en":["Not for any real engineering or scientific decision","Not for comparison against experimental measurements","Not for credence claims about the real world"]},"wet_lab_grade":null,"html":"/reports/html/surrogate_branin.html","json":"/reports/json/surrogate_branin.json","docx":"/reports/docx/surrogate_branin.docx"},{"key":"surrogate_forrester","domain":"Surrogate Modeling/Optimization (Bayesian Optimization Benchmark)","dim":1,"bounds":[[0,1]],"published":"Forrester et al. 2008: min ≈ -6.0208 @ x≈0.7572","references":["Forrester A.I.J., Sobester A., Keane A.J. (2008). Engineering Design via Surrogate Modelling: A Practical Guide. Wiley.","Forrester J., Sobester A., Keane A. (2006). Optimization using surrogate models and partially converged response surface simulations. AIAA Journal 44(10)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9999,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0105,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":30,"n_test":40,"calibration_scale":1,"high_freq":true,"replication_passed":false,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"贝叶斯优化 / 高斯过程代理的算法压测","en":"Bayesian optimization / GP surrogate algorithm benchmarks"},"forbidden_use":{"zh":["不能用于任何真实工程或科研决策","不能与实验测量值对比","不能用于模型对现实世界的可信度论证"],"en":["Not for any real engineering or scientific decision","Not for comparison against experimental measurements","Not for credence claims about the real world"]},"wet_lab_grade":null,"html":"/reports/html/surrogate_forrester.html","json":"/reports/json/surrogate_forrester.json","docx":"/reports/docx/surrogate_forrester.docx"},{"key":"surrogate_hartmann6","domain":"Surrogate Modeling/Optimization (6D High-Dimensional Benchmark)","dim":6,"bounds":[[0,1],[0,1],[0,1],[0,1],[0,1],[0,1]],"published":"Hartmann 6D min ≈ -3.32237","references":["Hartmann H. (1972). Algorithm 76: K1—a computer program for the solution of the kinetics of the biochemical BOD test. Comm. ACM 15(10).","Surjanovic S., Bingham D. Virtual Library of Simulation Experiments: Hartmann 6-D function (surj.icics.ubc.ca)."],"verdict":"PASS","rationale":"out-of-sample R²=1.000 ≥ 0.9, coverage=1.000 ≥ 0.9（校准安全，保守亦可）","r2":0.9998,"r2_core":0.9999,"coverage":1,"rmse_rel":0.0149,"cal_err":0.05,"kernel":"RBF (ARD)","lengthscale_source":"auto (marginal-likelihood ARD)","n_train":120,"n_test":80,"calibration_scale":1,"high_freq":true,"replication_passed":true,"validation_type":"synthetic_surrogate","validation_type_label":{"zh":"合成代理基准","en":"synthetic surrogate","desc_zh":"无真实生物/化学含义，仅用于优化算法压测","desc_en":"No real biological/chemical meaning; for optimization benchmarks only"},"applicable_domain":{"zh":"贝叶斯优化 / 高斯过程代理的算法压测","en":"Bayesian optimization / GP surrogate algorithm benchmarks"},"forbidden_use":{"zh":["不能用于任何真实工程或科研决策","不能与实验测量值对比","不能用于模型对现实世界的可信度论证"],"en":["Not for any real engineering or scientific decision","Not for comparison against experimental measurements","Not for credence claims about the real world"]},"wet_lab_grade":null,"html":"/reports/html/surrogate_hartmann6.html","json":"/reports/json/surrogate_hartmann6.json","docx":"/reports/docx/surrogate_hartmann6.docx"}]}