GSOC'25 Project: Implement a Wishlist Model - Fourier Neural Operator

#1

Hi!

I’m Shrisharanyan Vasu, a third-year undergraduate at Amrita Vishwa Vidyapeetham. I’m excited to contribute to DeepChem as part of the GSOC program for the year 2025. This summer, I will be implementing a Fourier Neural Operator class for efficiently solving partial differential equations by leveraging neural networks in the frequency domain.
As part of my contributions, I will be sharing weekly updates on the project’s progress, challenges, and milestones. I hope to engage with the community for feedback, suggestions, and collaboration to make this project a success.

Looking forward to working together and learning from all of you!

Regards,
Shrisharanyan Vasu

#2

Coding Period has begun!
Week 1 (Jun 2 - Jun 9)

  • Tested and got the SpectralConv layer merged into the codebase sometime back. Link to PR #4421
  • Read the FNO research paper and understood the basic implementation strategy.
  • Looked up and tried understanding the original FNO implementation: Link
  • Implemented a basic FNO model. Link to Draft PR #4452
  • Learnt how meshgrids help with preserving local positional information during training and tried searching for some existing implementations for FNO or some other fourier-based model which has meshgrids.

Link to slide decks: https://docs.google.com/presentation/d/1OLboTzxzKpvV6n42-kELSdOcWIooe0OuLAk5Ol74cow/edit?usp=sharing

#3

Week 2 (Jun 9 - Jun 16)

  • Added unit tests for the basic FNO model. Got PR (from previous week) reviewed by mentor and made the necessary changes. Link to commit
  • Working on implementing positional embedding using meshgrids to compensate for the lack of inherent spatial locality in spectral convolutions. Took inspiration from the original FNO implementation.

Link to slide decks: https://docs.google.com/presentation/d/1OLboTzxzKpvV6n42-kELSdOcWIooe0OuLAk5Ol74cow/edit?usp=sharing

#4

Week 3 (Jun 16 - Jun 20)

  • Split the previous PR into 2 PRs: one for the FNOBlock and another for the FNOModel. Added tests for the FNOBlock too.
  • Implemented meshgrids and opened a PR
  • Totally 3 PRs opened last week and this week:
    1. FNOBlock: PR #4459
    2. FNOModel: PR #4452
    3. Meshgrids: PR #4460

Link to slide decks: https://docs.google.com/presentation/d/1OLboTzxzKpvV6n42-kELSdOcWIooe0OuLAk5Ol74cow/edit?usp=sharing