Random Walk Graph Neural Networks

Overview

Random Walk Graph Neural Networks

This repository is the official implementation of Random Walk Graph Neural Networks.

Requirements

Code is written in Python 3.6 and requires:

  • PyTorch 1.5
  • scikit-learn 0.21

Datasets

Use the following link to download datasets:

https://ls11-www.cs.tu-dortmund.de/staff/morris/graphkerneldatasets

Extract the datasets into the datasets folder.

Training and Evaluation

To train and evaluate the model in the paper, run this command:

python main.py --dataset <dataset_name> 

Example

To train and evaluate the model on MUTAG, first specify the hyperparameters in the main.py file and then run:

python main.py --dataset MUTAG --use-node-labels

Results

Our model achieves the following performance on standard graph classification datasets (note that we used the evaluation procedure and same data splits as in this paper):

Model name MUTAG D&D NCI1 PROTEINS ENZYMES
SP 80.2 (± 6.5) 78.1 (± 4.1) 72.7 (± 1.4) 75.3 (± 3.8) 38.3 (± 8.0)
GR 80.8 (± 6.4) 75.4 (± 3.4) 61.8 (± 1.7) 71.6 (± 3.1) 25.1 (± 4.4)
WL 84.6 (± 8.3) 78.1 (± 2.4) 84.8 (± 2.5) 73.8 (± 4.4) 50.3 (± 5.7)
DGCNN 84.0 (± 6.7) 76.6 (± 4.3) 76.4 (± 1.7) 72.9 (± 3.5) 38.9 (± 5.7)
DiffPool 79.8 (± 7.1) 75.0 (± 3.5) 76.9 (± 1.9) 73.7 (± 3.5) 59.5 (± 5.6)
ECC 75.4 (± 6.2) 72.6 (± 4.1) 76.2 (± 1.4) 72.3 (± 3.4) 29.5 (± 8.2)
GIN 84.7 (± 6.7) 75.3 (± 2.9) 80.0 (± 1.4) 73.3 (± 4.0) 59.6 (± 4.5)
GraphSAGE 83.6 (± 9.6) 72.9 (± 2.0) 76.0 (± 1.8) 73.0 (± 4.5) 58.2 (± 6.0)
1-step RWNN 89.2 (± 4.3) 77.6 (± 4.7) 71.4 (± 1.8) 74.7 (± 3.3) 56.7 (± 5.2)
2-step RWNN 88.1 (± 4.8) 76.9 (± 4.6) 73.0 (± 2.0) 74.1 (± 2.8) 57.4 (± 4.9)
3-step RWNN 88.6 (± 4.1) 77.4 (± 4.9) 73.9 (± 1.3) 74.3 (± 3.3) 57.6 (± 6.3)
Model name IMDB-BINARY IMDB-MULTI REDDIT-BINARY REDDIT-MULTI-5K COLLAB
SP 57.7 (± 4.1) 39.8 (± 3.7) 89.0 (± 1.0) 51.1 (± 2.2) 79.9 (± 2.7)
GR 63.3 (± 2.7) 39.6 (± 3.0) 76.6 (± 3.3) 38.1 (± 2.3) 71.1 (± 1.4)
WL 72.8 (± 4.5) 51.2 (± 6.5) 74.9 (± 1.8) 49.6 (± 2.0) 78.0 (± 2.0)
DGCNN 69.2 (± 3.0) 45.6 (± 3.4) 87.8 (± 2.5) 49.2 (± 1.2) 71.2 (± 1.9)
DiffPool 68.4 (± 3.3) 45.6 (± 3.4) 89.1 (± 1.6) 53.8 (± 1.4) 68.9 (± 2.0)
ECC 67.7 (± 2.8) 43.5 (± 3.1) OOR OOR OOR
GIN 71.2 (± 3.9) 48.5 (± 3.3) 89.9 (± 1.9) 56.1 (± 1.7) 75.6 (± 2.3)
GraphSAGE 68.8 (± 4.5) 47.6 (± 3.5) 84.3 (± 1.9) 50.0 (± 1.3) 73.9 (± 1.7)
1-step RWNN 70.8 (± 4.8) 47.8 (± 3.8) 90.4 (± 1.9) 51.7 (± 1.5) 71.7 (± 2.1)
2-step RWNN 70.6 (± 4.4) 48.8 (± 2.9) 90.3 (± 1.8) 51.7 (± 1.4) 71.3 (± 2.1)
3-step RWNN 70.7 (± 3.9) 47.8 (± 3.5) 89.7 (± 1.2) 53.4 (± 1.6) 71.9 (± 2.5)

Cite

Please cite our paper if you use this code:

@inproceedings{nikolentzos2020random,
  title={Random Walk Graph Neural Networks},
  author={Nikolentzos, Giannis and Vazirgiannis, Michalis},
  booktitle={Proceedings of the 34th Conference on Neural Information Processing Systems},
  pages={16211--16222},
  year={2020}
}
Owner
Giannis Nikolentzos
Giannis Nikolentzos
A fast and easy to use, moddable, Python based Minecraft server!

PyMine PyMine - The fastest, easiest to use, Python-based Minecraft Server! Features Note: This list is not always up to date, and doesn't contain all

PyMine 144 Dec 30, 2022
A geometric deep learning pipeline for predicting protein interface contacts.

A geometric deep learning pipeline for predicting protein interface contacts.

44 Dec 30, 2022
Official Pytorch Implementation of Length-Adaptive Transformer (ACL 2021)

Length-Adaptive Transformer This is the official Pytorch implementation of Length-Adaptive Transformer. For detailed information about the method, ple

Clova AI Research 93 Dec 28, 2022
NeROIC: Neural Object Capture and Rendering from Online Image Collections

NeROIC: Neural Object Capture and Rendering from Online Image Collections This repository is for the source code for the paper NeROIC: Neural Object C

Snap Research 647 Dec 27, 2022
Implementing SYNTHESIZER: Rethinking Self-Attention in Transformer Models using Pytorch

Implementing SYNTHESIZER: Rethinking Self-Attention in Transformer Models using Pytorch Reference Paper URL Author: Yi Tay, Dara Bahri, Donald Metzler

Myeongjun Kim 66 Nov 30, 2022
IPATool-py: download ipa easily

IPATool-py Python version of IPATool! Installation pip3 install -r requirements.txt Usage Quickstart: download app with specific bundleId into DIR: p

159 Dec 30, 2022
This repository contains the code for the ICCV 2019 paper "Occupancy Flow - 4D Reconstruction by Learning Particle Dynamics"

Occupancy Flow This repository contains the code for the project Occupancy Flow - 4D Reconstruction by Learning Particle Dynamics. You can find detail

189 Dec 29, 2022
This GitHub repo consists of Code and Some results of project- Diabetes Treatment using Gold nanoparticles. These Consist of ML Models used for prediction Diabetes and further the basic theory and working of Gold nanoparticles.

GoldNanoparticles This GitHub repo consists of Code and Some results of project- Diabetes Treatment using Gold nanoparticles. These Consist of ML Mode

1 Jan 30, 2022
Python wrappers to the C++ library SymEngine, a fast C++ symbolic manipulation library.

SymEngine Python Wrappers Python wrappers to the C++ library SymEngine, a fast C++ symbolic manipulation library. Installation Pip See License section

136 Dec 28, 2022
Reproduce results and replicate training fo T0 (Multitask Prompted Training Enables Zero-Shot Task Generalization)

T-Zero This repository serves primarily as codebase and instructions for training, evaluation and inference of T0. T0 is the model developed in Multit

BigScience Workshop 253 Dec 27, 2022
YOLOv5 Series Multi-backbone, Pruning and quantization Compression Tool Box.

YOLOv5-Compression Update News Requirements 环境安装 pip install -r requirements.txt Evaluation metric Visdrone Model mAP ZhangYuan 719 Jan 02, 2023

Tracking Pipeline helps you to solve the tracking problem more easily

Tracking_Pipeline Tracking_Pipeline helps you to solve the tracking problem more easily I integrate detection algorithms like: Yolov5, Yolov4, YoloX,

VNOpenAI 32 Dec 21, 2022
Classification Modeling: Probability of Default

Credit Risk Modeling in Python Introduction: If you've ever applied for a credit card or loan, you know that financial firms process your information

Aktham Momani 2 Nov 07, 2022
PASTRIE: A Corpus of Prepositions Annotated with Supersense Tags in Reddit International English

PASTRIE Official release of the corpus described in the paper: Michael Kranzlein, Emma Manning, Siyao Peng, Shira Wein, Aryaman Arora, and Nathan Schn

NERT @ Georgetown 4 Dec 02, 2021
Code for "LoRA: Low-Rank Adaptation of Large Language Models"

LoRA: Low-Rank Adaptation of Large Language Models This repo contains the implementation of LoRA in GPT-2 and steps to replicate the results in our re

Microsoft 394 Jan 08, 2023
Generic image compressor for machine learning. Pytorch code for our paper "Lossy compression for lossless prediction".

Lossy Compression for Lossless Prediction Using: Training: This repostiory contains our implementation of the paper: Lossy Compression for Lossless Pr

Yann Dubois 84 Jan 02, 2023
Official PyTorch implementation of "Synthesis of Screentone Patterns of Manga Characters"

Manga Character Screentone Synthesis Official PyTorch implementation of "Synthesis of Screentone Patterns of Manga Characters" presented in IEEE ISM 2

Tsubota 2 Nov 20, 2021
QAT(quantize aware training) for classification with MQBench

MQBench Quantization Aware Training with PyTorch I am using MQBench(Model Quantization Benchmark)(http://mqbench.tech/) to quantize the model for depl

Ling Zhang 29 Nov 18, 2022
Newt - a Gaussian process library in JAX.

Newt __ \/_ (' \`\ _\, \ \\/ /`\/\ \\ \ \\

AaltoML 0 Nov 02, 2021
Learning hierarchical attention for weakly-supervised chest X-ray abnormality localization and diagnosis

Hierarchical Attention Mining (HAM) for weakly-supervised abnormality localization This is the official PyTorch implementation for the HAM method. Pap

Xi Ouyang 22 Jan 02, 2023