1-1 用于学习模拟的图形神经网络.pdf

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1、Graph Neural Network for Large-scale SimulationsCollaboratorsStanford:Tailin Wu,Sophia Kivelson,Yinan Zhang,Jacqueline Yau,Jure LeskovecSLAC(Accelerator Laboratory):Jason Chou,Frederico FiuzaDeepMind Inc.Saudi AramcoUCLA:Paulo Alves1June 25,2022Rex YingOutlineSimulations in Science and Engineering,a

2、nd CharacteristicsGraphics and Physics SimulationReservoir SimulationScientific Simulation:Laser-plasma Interaction Simulation2OutlineSimulations in Science and Engineering,and CharacteristicsGraphics and Physics SimulationReservoir SimulationScientific Simulation:Laser-plasma Interaction Simulation

3、3Simulations in Science and Engineering1.Particle-particle interactions:Galaxy formationWater simulation4We construct graphs with particles as nodes and interactions as edgesSimulations in Science and EngineeringWeather predictionAerodynamics2.PDEs(on grid or mesh)Reservoir simulation5Graph based on

4、 grid/mesh structureSimulations in Science and Engineering3.Particle-in-Cell(involves both grid and particles)FusionLaser-plasma particle acceleration6Cosmic-ray accelerationGraph combining grid/mesh with particles!Simulations in Science and EngineeringCharacteristics:Large scale in size:at the fore

5、front of HPCNevertheless,even those large compute with long-time simulation may only do reasonably small systems in practiceE.g.for a reasonable 3D laser-plasma interaction system,it has 100B grid vertices,1T particles,over 100k time stepsLargest simulations(1/year):10-1 of that scale,most studies:O

6、(n2)Physics solution:also discretize the field and simulate the field evolution,so the update becomes local =Particle-in-Cell(PIC)method36How to simulate the interactions between ions,electrons and field?(1)Interpolate the field at the particle location:37How to simulate the interactions between ion