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Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics

Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics

Valence Labs via YouTube Direct link

- Intro

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Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics

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  1. 1 - Intro
  2. 2 - Machine Learning Potentials
  3. 3 - No Constraints, Invariance, Equivariance
  4. 4 - NequIP Generalizes Across Geometry
  5. 5 - Message Passing Networks
  6. 6 - Allegro: Strictly Local Deep Equivariant Model
  7. 7 - Importance of Locality
  8. 8 - Demonstrating Allegro Scaling Up
  9. 9 - Weak Scaling
  10. 10 - Q+A

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