Self-attention mechanisms are used to build mesh-preserving neural surrogates that approximate PFEM dynamics for free-surface flows, delivering accurate transient predictions and improved scalability on 2D and 3D benchmarks.
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GNN-based MD simulators achieve stable structure-only initialization and reliable OOD generalization through inference-time physics optimization and a GNN barostat on elastic network compression tasks.
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Attention mechanism for scalable mesh-based neural surrogates of free-surface fluids
Self-attention mechanisms are used to build mesh-preserving neural surrogates that approximate PFEM dynamics for free-surface flows, delivering accurate transient predictions and improved scalability on 2D and 3D benchmarks.
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Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-based Molecular Dynamics Simulators
GNN-based MD simulators achieve stable structure-only initialization and reliable OOD generalization through inference-time physics optimization and a GNN barostat on elastic network compression tasks.