This repository contains the official source code for the ExpressivE model, presented at ICLR 2023 in our paper "ExpressivE: A Spatio-Functional Embedding For Knowledge Graph Completion". The repository includes the following:

1. the implementation of ExpressivE
2. the code for training and testing ExpressivE on WN18RR and FB15k-237 to reproduce the results presented in our paper
3. an environment.yml to set up a conda environment with all dependencies automatically

• Python >= 3.9
• PyKEEN 1.7.0
• Pytorch 1.10.2
• Tensorboard 2.8.0

We have provided an environment.yml file that can be used to create a conda environment with all required dependencies. To install ExpressivE, simply run conda env create -f environment.yml to create the conda environment Env_ExpressivE. Afterward, use conda activate Env_ExpressivE to activate the environment before rerunning our experiments.

Training and evaluation of ExpressivE are done by running the run_experiments.py file. In particular, a configuration file must be specified for an ExpressivE model, containing all model, training, and evaluation parameters. The best configuration files for WN18RR and FB15k-237 are provided in the Best_Configurations directory and can be adapted to try out different parameter configurations. To run an experiment, the following parameters need to be specified:

• config contains the path to the model configuration (e.g., config=Best_Configurations/ExpressivE/Base_ExpressivE/WN18RR.json)
• train contains true if the model shall be trained and false otherwise.
• test contains true if the model shall be evaluated on the test set and false otherwise.
• expName contains the name of the experiment (e.g., expName=Base_ExpressivE_WN18RR)
• gpu contains the id of the gpu that shall be used (e.g., gpu=0)
• seeds contains the seeds for repeated runs of the experiment (e.g., seeds=1,2,3)

Finally, you can run an experiment with python run_experiments.py config=<config> train=<true|false> test=<true|false> expName=<expName> gpu=<gpuID> seeds=<seeds>, where angle brackets represent a parameter value. If the test parameter is set to true, then the selected model will be evaluated on the test set, and the evaluation results will be stored in Benchmarking/final_result/<expName>.

In the following, we provide the commands to reproduce ExpressivE's benchmark results (listed in Table 3 of our paper):

Train & Test: python run_experiments.py gpu=0 train=true test=true seeds=1,2,3 config=Best_Configurations/ExpressivE/Base_ExpressivE/WN18RR.json expName=Base_ExpressivE_WN18RR

Train & Test: python run_experiments.py gpu=0 train=true test=true seeds=1,2,3 config=Best_Configurations/ExpressivE/Functional_ExpressivE/FB15k-237.json expName=Functional_ExpressivE_FB15k-237

To evaluate the performance of the Base ExpressivE model per relation on WN18RR, first, train a Base ExpressivE model as described above. After the training has finished, run the following commands (which evaluate the trained models of each seed):

Seed 1: python run_per_relation_evaluation.py model_dir=Benchmarking sub_dir=Base_ExpressivE_WN18RR_seed_1 config_path=Best_Configurations/ExpressivE/Base_ExpressivE/WN18RR.json

Seed 2: python run_per_relation_evaluation.py model_dir=Benchmarking sub_dir=Base_ExpressivE_WN18RR_seed_2 config_path=Best_Configurations/ExpressivE/Base_ExpressivE/WN18RR.json

Seed 3: python run_per_relation_evaluation.py model_dir=Benchmarking sub_dir=Base_ExpressivE_WN18RR_seed_3 config_path=Best_Configurations/ExpressivE/Base_ExpressivE/WN18RR.json

The relation-wise performance results will be stored at Benchmarking/per_relation_result/Base_ExpressivE_WN18RR_seed_<s>, where <s> is 1, 2, or 3.

If you use this code or its corresponding paper, please cite our work as follows:

@inproceedings{
pavlovic2023expressive,
title={ExpressivE: A Spatio-Functional Embedding For Knowledge Graph Completion},
author={Aleksandar Pavlovi{\'c} and Emanuel Sallinger},
booktitle={International Conference on Learning Representations},
year={2023},
url={https://openreview.net/forum?id=xkev3_np08z}
}

Aleksandar Pavlović

Research Unit of Databases and Artificial Intelligence

Vienna University of Technology (TU Wien)

Vienna, Austria

[email protected]

The benchmark datasets WN18RR and FB15k-237 are already included in the PyKEEN library. PyKEEN uses the MIT license. FB15k-237 is a subset of FB15k which uses the CC BY 2.5 license. The license of FB15k-237 and WN18RR is unknown. This project runs under the MIT license.

Copyright (c) 2023 Aleksandar Pavlović