peikalunci/entropy_aware_message_passing

Repository for the 2023 Deep Learning course project

GNN Deep Learning Project

Repository for 2023 Deep Learning course project of Oliver Lemke, Phillip Nazari, Artiom Gesp, Davide Guidobene

Dependencies

The main dependencies of this project are

python: 3.9
cuda: 11.8

You can set up a conda environment as follows :

git clone [email protected]:oliver-lemke/gnn_dl.git
conda env create -f environment.yml
# setup user.yaml (see configs/template.yaml)
cd source
python -m main

Now, set up configs/user.yaml. For instructions on how to do so, see configs/template.yaml. For starters, simply add your project path in the project_root_dir. Any settings set in user.yaml will overwrite base.yaml.

You can run the project with

cd source
python -m main

Config

To make changes to the configuration of the project, please change configs/base.yaml. The hyperparameters present base.yaml are the ones used in the project. Please refer to comments within base.yaml for specific explanations.

Overall Setup

project_root_dir/                                   <--- root directory of the project
├── source/                                         <--- all code stored here
│   ├── main.py                                     <--- contains the main method
│   ├── trainer/                                    <--- contains the trainer classes responsible for training
│   │   ├── base_trainer.py                         <--- basic gnn trainer for node classification
│   │   └── ...
│   ├── tester/                                     <--- contains the tester for the 2D grid testing
│   │   └── base_tester.py
│   ├── datasets/
│   │   ├── __init__.py                             <--- DatasetFactory for getting dataset based on config
│   │   ├── base.py                                 <--- abstract dataset class acting as base for others
│   │   ├── planetoid.py                            <--- Plnetoid dataset
│   │   └── ...
│   ├── models/
│   │   ├── model_utils/                            <--- utility classes for creating models
│   │   ├── __init__.py                             <--- contains the ModelFactory which is responsible for building a model
│   │   ├── basic_gcn.py                            <--- simple GCN model 
│   │   ├── entropic_gcn.py                         <--- entropic GCN model 
│   │   ├── pairnorm_gcn.py                         <--- pairnorm GCN model 
│   │   ├── g2.py                                   <--- G2 model
│   │   └── ...
│   ├── physics/                                    <--- contains scripts to be run independently (e.g. for setup)
│   │   └── physics.py/                             <--- contains energy / entropy calculations
│   ├── scripts/                                    <--- contains scripts to be run independently (e.g. for setup)
│   │   ├── hp_tuning/                              <--- scripts for hyperparameter tuning
│   │   ├── wandb/                                  <--- scripts for plotting with wandb
│   │   └── ...
│   ├── utils/
│   │   ├── configs.py                              <--- ease of use class for accessing config
│   │   ├── eval_metrics.py                         <--- additional metrics to keep track of
│   │   ├── logs.py                                 <--- project-specific logging configuration
│   │   └── ...
│   └── ...
│
├── configs/
│   ├── base.yaml                                   <--- base config file used for changing the actual project
│   ├── template.yaml                               <--- template config for setting up user.yaml
│   └── user.yaml                                   <--- personal config file to set up config for this specific workspace
│
├── resources                                        <- contains any data
│   ├── data/                                       <--- contains any used datasets
│   ├── logs/                                       <--- contains logs
│   ├── pretrained_weights/                         <--- contains model_weights
│   ├── output/                                     <--- any model output
│   ├── cache/                                      <--- any local caching that is needed
│
├── .github/                                        
│   ├── workflows/                                  <--- github actions 
│   │   ├── black.yml
│   │   ├── isort.yml
│   │   ├── pylint.yml
│   │   └── ...
│
├── .gitignore                                      <--- global .gitignore
├── environment.yaml                                <--- conda env file for GPU machines
├── environment_cpu.yaml                            <--- conda env file for non-GPU machines
└── README.md