用图神经网络加速牙科喷雾粒子传播模拟,37倍提速且更精准。
Physics-Informed Graph Neural Network Surrogates for Turbulent Nanoparticle Dispersion in Dental Clinical Environments

- 构建物理引导的图网络,联合预测气流与多分散粒子运动。
- 单案例测试中粒子位移误差降低至16.20%,云团半径误差降至6.58%。
- 适合需实时感染风险评估的临床环境,助力智能防护决策。
牙科操作产生的小于50微米的气溶胶核可在封闭诊室长时间悬浮,成为病原体传播途径。基于雷诺平均纳维-斯托克斯(RANS)与欧拉-拉格朗日粒子追踪的仿真虽准确,但每场景耗时极长,难以支持三维实时临床决策。本文提出欧拉-拉格朗日图互作用网络(ELGIN),在OpenFOAM多面体网格上联合预测载体流场与多分散喷雾云的逐粒运动。ELGIN通过可微分反距离网格-粒子耦合,将多头图变压器、雅可比预处理的可学习压力投影与湍流闭合头,与符号门控拉格朗日互作用网络连接,并采用辛斯特罗默-维尔特积分器推进粒子。四阶段物理引导课程训练使260步自回归推演稳定无梯度爆炸。基于foam-extend 4.1 OpenFOAM reactingParcelFoam,在20个案例的通风速率与手柄喷射速度参数扫描下生成计算流体力学(CFD)真值数据。本文报告单案例演示:在20例中的Sweep_Case_03上,ELGIN与仅拉格朗日基线(M0)均完成训练与评估;完整16/2/2再训练正在进行,将替换所有报告指标。该案例中,ELGIN对foam-extend粒子云追踪更优:平均粒子位移误差由房间宽度的19.56%降至16.20%,云团回转半径误差由9.85%降至6.58%。26秒推演在4GB GPU上约耗时64秒,相较foam-extend参考流程快约37倍,为未来单次就诊感染风险筛查奠定基础。
原文摘要 · Abstract (English)
Dental aerosol procedures produce sub-50 micrometre nuclei that can remain airborne for long periods in enclosed clinics, creating pathways for airborne pathogen transmission. Reynolds-Averaged Navier-Stokes (RANS) simulations with Euler-Lagrange particle tracking capture this transport accurately but require very long run times per scenario, which precludes real-time clinical decision support in 3D. We present the Eulerian-Lagrangian Graph Interaction Network (ELGIN), a physics-informed graph surrogate that jointly predicts carrier-flow dynamics on the OpenFOAM polyhedral mesh and the per-parcel motion of the polydisperse spray cloud. ELGIN couples a multi-head Graph Transformer with Jacobi-preconditioned learnable pressure projection and a turbulence-closure head to a sigmoid-gated Lagrangian Interaction Network through differentiable inverse-distance mesh-parcel coupling, and advances parcels with a symplectic Stormer-Verlet integrator. A four-stage physics-informed curriculum stabilises 260-step autoregressive rollouts without gradient explosion. A parameter sweep with foam-extend 4.1 OpenFOAM reactingParcelFoam across clinically relevant ventilation rates and handpiece spray speeds provides CFD ground truth. This article reports a single-case demonstration in which both ELGIN and a Lagrangian-only baseline (M0) are trained and evaluated on Sweep_Case_03 of a twenty-case sweep; full 16/2/2 retraining is in progress and will replace all reported metrics. On this case, ELGIN tracks the foam-extend particle cloud much more closely than M0: mean parcel displacement error falls from 19.56% to 16.20% of room width and cloud radius-of-gyration error from 9.85% to 6.58%. A 26-second rollout completes in ~64 s on a 4 GB GPU, approximately 37x faster than the foam-extend reference pipeline, toward per-appointment infection-risk screening once the multi-case checkpoint is in place.
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