Pre-training via Denoising for Molecular Property Prediction

Pre-training via Denoising for Molecular Property Prediction

Valence Labs via YouTube Direct link

- TLDR

2 of 13

2 of 13

- TLDR

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Pre-training via Denoising for Molecular Property Prediction

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  1. 1 - Intro
  2. 2 - TLDR
  3. 3 - The Task: Predicting Molecular Properties
  4. 4 - Pre-training via Denoting
  5. 5 - Background: Noisy Nodes
  6. 6 - Oversmoothing vs. Representation Learning
  7. 7 - Method & Theory: Denoising Score-Matching
  8. 8 - Denoising - Learning a Force Field
  9. 9 - Difference From Score-Based Generative Modelling
  10. 10 - Experiments
  11. 11 - Model Scaling
  12. 12 - Conclusion & Future Work
  13. 13 - Q&A

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