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.
Towards Physics-informed Deep Learning for Turbulent Flow Prediction , booktitle =
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μ-FlowNet applies an attention U-Net to map flow fields in irregular microchannels, reporting dice score 0.9317 and IoU 0.8731 on test data while outperforming standard U-Net and T-Net.
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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.
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$\mu$-FlowNet: A Deep Learning Approach for Mapping Flow Fields in Irregular Microchannels Using an Attention-based U-Net Encoder-Decoder Architecture
μ-FlowNet applies an attention U-Net to map flow fields in irregular microchannels, reporting dice score 0.9317 and IoU 0.8731 on test data while outperforming standard U-Net and T-Net.
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