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arXiv 提交日期: 2026-04-15
📄 Abstract - Physics-Informed Neural Networks for Methane Sorption: Cross-Gas Transfer Learning, Ensemble Collapse Under Physics Constraints, and Monte Carlo Dropout Uncertainty Quantification

Accurate methane sorption prediction across heterogeneous coal ranks requires models that combine thermodynamic consistency, efficient knowledge transfer across data-scarce geological systems, and calibrated uncertainty estimates, capabilities that are rarely addressed together in existing frameworks. We present a physics-informed transfer learning framework that adapts a hydrogen sorption PINN to methane sorption prediction via Elastic Weight Consolidation, coal-specific feature engineering, and a three-phase curriculum that progressively balances transfer preservation with thermodynamic fine-tuning. Trained on 993 equilibrium measurements from 114 independent coal experiments spanning lignite to anthracite, the framework achieves R2 = 0.932 on held-out coal samples, a 227% improvement over pressure-only classical isotherms, while hydrogen pre-training delivers 18.9% lower RMSE and 19.4% faster convergence than random initialization. Five Bayesian uncertainty quantification approaches reveal a systematic divergence in performance across physics-constrained architectures. Monte Carlo Dropout achieves well-calibrated uncertainty at minimal overhead, while deep ensembles, regardless of architectural diversity or initialization strategy, exhibit performance degradation because shared physics constraints narrow the admissible solution manifold. SHAP and ALE analyses confirm that learned representations remain physically interpretable and aligned with established coal sorption mechanisms: moisture-volatile interactions are most influential, pressure-temperature coupling captures thermodynamic co-dependence, and features exhibit non-monotonic effects. These results identify Monte Carlo Dropout as the best-performing UQ method in this physics-constrained transfer learning framework, and demonstrate cross-gas transfer learning as a data-efficient strategy for geological material modeling.

顶级标签: machine learning model training model evaluation
详细标签: physics-informed neural networks transfer learning uncertainty quantification methane sorption geological modeling 或 搜索:

用于甲烷吸附的物理信息神经网络:跨气体迁移学习、物理约束下的集成崩溃与蒙特卡洛Dropout不确定性量化 / Physics-Informed Neural Networks for Methane Sorption: Cross-Gas Transfer Learning, Ensemble Collapse Under Physics Constraints, and Monte Carlo Dropout Uncertainty Quantification


1️⃣ 一句话总结

本研究开发了一个结合物理定律与人工智能的框架,通过利用氢气吸附数据来高效预测不同煤种对甲烷的吸附能力,并发现蒙特卡洛Dropout方法是该框架中量化预测不确定性的最佳方法。

源自 arXiv: 2604.13992