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Final projects for 401-4656-21L AI in Sciences and Engineering @ ETHz. Includes implementation of Fourier Neural Operator (FNO) with time dependency, data-driven symbolic regression with PDE-Find and foundation model based on FNO for phase-field dynamics

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AI in Sciences and Engineering (AISE)

Author: Wu, You
Duration: December 17th, 2024 - January 21st, 2025
Project Report: Download Report Copyright © 2025 Wu, You

Overview

The repository contains implementation of state-of-the-art machine learning architectures for scientific and engineering tasks. It consists of three projects, serving as the final submission for the course AI in Sciences and Engineering 401-4656-21L at ETH Zürich.

Project Topic Task
1 Fourier Neural Operator (FNO) View Task
2 Data-driven discovery of partial differential equations (PDE-Find) View Task
3 FNO for Transfer Learning View Task

In the projects listed above, we cover a wide range of SciML topics including operator learning between infinite-dimensional function spaces, data-driven system discovery where we focus on symbolic regression of unknown PDE systems. In the last project, we leverage the technique of transfer learning and aim to use the FNO architecture and build a simple foundation model for phase-field dynamics.

Installation

  1. Create and activate virtual environment:
python3 -m venv venv
source venv/bin/activate  # Linux/Mac
# or
.\venv\Scripts\activate  # Windows
  1. Install Git LFS (for fetching trained models under project_X/checkpoints):

If you are working on your local machine, the git LFS for large file storage can be installed and used by:

pip install git-lfs
git lfs install
git lfs pull

otherwise you could install git-lfs via some package manager on the cluster like spack with:

spack install git-lfs
spack load git-lfs # then you can load the module and proceed with pulling LFS files
  1. Install dependencies:
pip install -r requirements.txt

Experimental Setup

  • Original project handouts locates under the assets/ directory
  • Each project X ∈ {1, 2, 3} contains:
    • For each task, we reported our results in a section of the main report here Download Report.
    • Trained models are stored under corresponding folder of checkpoints/
    • Visualizations, prediction files (redirection of I/O) from running evaluation scripts can be found in the results/ directory

For the project report, experiments were conducted on the piora cluster from the student cluster competition team RACKlette @ ETHZ using the hardware & software configuration as follows:

CPU Model CPU Core Info Memory
AMD EPYC 7773X 64-Core Processor 128 Cores (2 Sockets × 64 Cores), 3.5 GHz max 1.0 TiB RAM + 15 GiB Swap
Python Deep Learning Framework OS
Python 3.11.9 PyTorch 2.5.1+cu124 Rocky Linux 9.4 (Blue Onyx)
GPU CUDA CPU Architecture
NVIDIA A100 80GB PCIe CUDA 12.4 x86_64

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Final projects for 401-4656-21L AI in Sciences and Engineering @ ETHz. Includes implementation of Fourier Neural Operator (FNO) with time dependency, data-driven symbolic regression with PDE-Find and foundation model based on FNO for phase-field dynamics

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