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Convergence of AI, Simulations and HPC

Talkat Scale By the Bay 2021 · 2021-10-28..10-29· [machine-learning]
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Introduces a Fourier Neural Operator that learns function-to-function maps using global convolution in the Fourier domain, trains on low-resolution (e.g., 64×64) simulations and zero-shot evaluates at much higher resolution, and reports about a 1000× speedup over GPU-based solvers while retaining accuracy on turbulent fluids and multiphase flows; presents OrbNet, a graph neural net built on molecular orbitals that matches gold-standard quantum energies at roughly three orders of magnitude faster and generalizes from <40-atom training molecules to molecules ~10× larger, and notes integration into NVIDIA SimNet for DGX/exascale workflows.

AI-written summary · about

  1. 0:00AI golden age impact
  2. 1:41AI in scientific simulations
  3. 7:43Neural operator learning
  4. 19:45Quantum energy calculations
  5. 23:57Future of AI for science
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