CHGN通过物理约束建模,让工业流程网络在拓扑变化时仍保持质量守恒。
Conservative Hybrid Graph Networks for Process Systems with Learned Routing

- 将路由、运行状态和流失率作为数据驱动的隐变量,嵌入固定传输方程中
- 零样本迁移至更大规模网络,预测误差比基线低3~15倍,路由准确率达94.3%
- 适合需要解释性与跨拓扑泛化的工业系统建模场景
工业过程网络在运行中不保持单一有效拓扑:物流被调节或绕过,设备在空闲、过渡和运行状态间切换。此类系统的模型通常基于测量的状态轨迹训练,而生成这些轨迹的操作机制是隐含的;传统图神经网络虽能拟合轨迹,却无法为恢复的物流赋予稳定的物理意义。为此,本文提出保守混合图网络(CHGN),将路由、运行状态分配和流失率作为数据驱动的代理变量,嵌入固定的传输方程中,使任意预测路由下质量守恒自动成立。CHGN在10-20节点的网络上训练后,可零样本迁移至25-40节点的未见图,无需重训,预测均方根误差达2.1e-3,显著优于基线模型的6e-2至9e-2;门控平均绝对误差为7.9e-3,运行状态准确率为94.3%(固定拓扑下为1.2e-2和96.4%)。在流体混合实验平台中,CHGN对未见物理故障的预测优于持续性基准,但无法预测人工干预(因阀门动作未观测)。因此,该模型可在不同工艺拓扑间迁移,且揭示了支配工厂行为的潜在机制。
原文摘要 · Abstract (English)
Industrial process networks do not maintain a single effective topology while operating: streams are throttled or bypassed, and units move between idle, transition, and active regimes. Models of such systems are typically trained on measured state trajectories while the operating mechanisms that generated them remain latent, and an unconstrained graph network can fit such a trajectory without assigning stable physical meaning to the recovered routing. We address both problems with the Conservative Hybrid Graph Network (CHGN), which learns routing, regime assignment, and removal rates as data-driven surrogates and inserts them into a fixed transport equation, so that the mass balance holds by construction for any predicted routing. CHGN trained on networks of 10-20 nodes transfers zero-shot to unseen graphs of 25-40 nodes without retraining, reaching an RMSE of 2.1e-3 against 6e-2 to 9e-2 for GNN baselines under the same protocol, with a gate MAE of 7.9e-3 and regime accuracy of 94.3% (1.2e-2 and 96.4% respectively on the fixed training topology). On a fluid-mixing pilot plant, CHGN improves on a persistence baseline for held-out physical faults but does not predict manual interventions, for which the governing valve actions are unobserved. The model therefore transfers across process topologies without retraining and exposes the latent mechanisms governing plant behaviour to inspection.
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