Implementation of "GNNAutoScale: Scalable and Expressive Graph Neural Networks via Historical Embeddings" in PyTorch

Overview

PyGAS: Auto-Scaling GNNs in PyG


PyGAS is the practical realization of our GNNAutoScale (GAS) framework, which scales arbitrary message-passing GNNs to large graphs, as described in our paper:

Matthias Fey, Jan E. Lenssen, Frank Weichert, Jure Leskovec: GNNAutoScale: Scalable and Expressive Graph Neural Networks via Historical Embeddings (ICML 2021)

GAS prunes entire sub-trees of the computation graph by utilizing historical embeddings from prior training iterations, leading to constant GPU memory consumption in respect to input mini-batch size, and maximally expressivity.

PyGAS is implemented in PyTorch and utilizes the PyTorch Geometric (PyG) library. It provides an easy-to-use interface to convert a common or custom GNN from PyG into its scalable variant:

from torch_geometric.nn import SAGEConv
from torch_geometric_autoscale import ScalableGNN
from torch_geometric_autoscale import metis, permute, SubgraphLoader

class GNN(ScalableGNN):
    def __init__(self, num_nodes, in_channels, hidden_channels,
                 out_channels, num_layers):
        # * pool_size determines the number of pinned CPU buffers
        # * buffer_size determines the size of pinned CPU buffers,
        #   i.e. the maximum number of out-of-mini-batch nodes

        super().__init__(num_nodes, hidden_channels, num_layers,
                         pool_size=2, buffer_size=5000)

        self.convs = ModuleList()
        self.convs.append(SAGEConv(in_channels, hidden_channels))
        for _ in range(num_layers - 2):
            self.convs.append(SAGEConv(hidden_channels, hidden_channels))
        self.convs.append(SAGEConv(hidden_channels, out_channels))

    def forward(self, x, adj_t, *args):
        for conv, history in zip(self.convs[:-1], self.histories):
            x = conv(x, adj_t).relu_()
            x = self.push_and_pull(history, x, *args)
        return self.convs[-1](x, adj_t)

perm, ptr = metis(data.adj_t, num_parts=40, log=True)
data = permute(data, perm, log=True)
loader = SubgraphLoader(data, ptr, batch_size=10, shuffle=True)

model = GNN(...)
for batch, *args in loader:
    out = model(batch.x, batch.adj_t, *args)

A detailed description of ScalableGNN can be found in its implementation.

Requirements

pip install torch-scatter -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html
pip install torch-sparse -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html
pip install torch-geometric

where ${TORCH} should be replaced by either 1.7.0 or 1.8.0, and ${CUDA} should be replaced by either cpu, cu92, cu101, cu102, cu110 or cu111, depending on your PyTorch installation.

Installation

pip install git+https://github.com/rusty1s/pyg_autoscale.git

or

python setup.py install

Project Structure

  • torch_geometric_autoscale/ contains the source code of PyGAS
  • examples/ contains examples to demonstrate how to apply GAS in practice
  • small_benchmark/ includes experiments to evaluate GAS performance on small-scale graphs
  • large_benchmark/ includes experiments to evaluate GAS performance on large-scale graphs

We use Hydra to manage hyperparameter configurations.

Cite

Please cite our paper if you use this code in your own work:

@inproceedings{Fey/etal/2021,
  title={{GNNAutoScale}: Scalable and Expressive Graph Neural Networks via Historical Embeddings},
  author={Fey, M. and Lenssen, J. E. and Weichert, F. and Leskovec, J.},
  booktitle={International Conference on Machine Learning (ICML)},
  year={2021},
}
Owner
Matthias Fey
PhD student @ TU Dortmund University - Interested in Representation Learning on Graphs and Manifolds; PyTorch, CUDA, Vim and macOS Enthusiast
Matthias Fey
An implementation of DeepMind's Relational Recurrent Neural Networks in PyTorch.

relational-rnn-pytorch An implementation of DeepMind's Relational Recurrent Neural Networks (Santoro et al. 2018) in PyTorch. Relational Memory Core (

Sang-gil Lee 241 Nov 18, 2022
Identifying Stroke Indicators Using Rough Sets

Identifying Stroke Indicators Using Rough Sets With the spirit of reproducible research, this repository contains all the codes required to produce th

Muhammad Salman Pathan 0 Jun 09, 2022
This repository provides some of the code implemented and the data used for the work proposed in "A Cluster-Based Trip Prediction Graph Neural Network Model for Bike Sharing Systems".

cluster-link-prediction This repository provides some of the code implemented and the data used for the work proposed in "A Cluster-Based Trip Predict

Bárbara 0 Dec 28, 2022
Self-Supervised Monocular DepthEstimation with Internal Feature Fusion(arXiv), BMVC2021

DIFFNet This repo is for Self-Supervised Monocular Depth Estimation with Internal Feature Fusion(arXiv), BMVC2021 A new backbone for self-supervised d

Hang 94 Dec 25, 2022
An open software package to develop BCI based brain and cognitive computing technology for recognizing user's intention using deep learning

An open software package to develop BCI based brain and cognitive computing technology for recognizing user's intention using deep learning

deepbci 272 Jan 08, 2023
The official PyTorch implementation for NCSNv2 (NeurIPS 2020)

Improved Techniques for Training Score-Based Generative Models This repo contains the official implementation for the paper Improved Techniques for Tr

174 Dec 26, 2022
The personal repository of the work: *DanceNet3D: Music Based Dance Generation with Parametric Motion Transformer*.

DanceNet3D The personal repository of the work: DanceNet3D: Music Based Dance Generation with Parametric Motion Transformer. Dataset and Results Pleas

南嘉Nanga 36 Dec 21, 2022
Code for KiloNeRF: Speeding up Neural Radiance Fields with Thousands of Tiny MLPs

KiloNeRF: Speeding up Neural Radiance Fields with Thousands of Tiny MLPs Check out the paper on arXiv: https://arxiv.org/abs/2103.13744 This repo cont

Christian Reiser 373 Dec 20, 2022
OpenMMLab Semantic Segmentation Toolbox and Benchmark.

Documentation: https://mmsegmentation.readthedocs.io/ English | 简体中文 Introduction MMSegmentation is an open source semantic segmentation toolbox based

OpenMMLab 5k Dec 31, 2022
Example Of Fine-Tuning BERT For Named-Entity Recognition Task And Preparing For Cloud Deployment Using Flask, React, And Docker

Example Of Fine-Tuning BERT For Named-Entity Recognition Task And Preparing For Cloud Deployment Using Flask, React, And Docker This repository contai

Nikita 12 Dec 14, 2022
PyTorch implementation of Masked Autoencoders Are Scalable Vision Learners for self-supervised ViT.

MAE for Self-supervised ViT Introduction This is an unofficial PyTorch implementation of Masked Autoencoders Are Scalable Vision Learners for self-sup

36 Oct 30, 2022
Attention-based Transformation from Latent Features to Point Clouds (AAAI 2022)

Attention-based Transformation from Latent Features to Point Clouds This repository contains a PyTorch implementation of the paper: Attention-based Tr

12 Nov 11, 2022
Language model Prompt And Query Archive

LPAQA: Language model Prompt And Query Archive This repository contains data and code for the paper How Can We Know What Language Models Know? Install

127 Dec 20, 2022
Final Project for the CS238: Decision Making Under Uncertainty course at Stanford University in Autumn '21.

Final Project for the CS238: Decision Making Under Uncertainty course at Stanford University in Autumn '21. We optimized wind turbine placement in a wind farm, subject to wake effects, using Q-learni

Manasi Sharma 2 Sep 27, 2022
A deep learning based semantic search platform that computes similarity scores between provided query and documents

semanticsearch This is a deep learning based semantic search platform that computes similarity scores between provided query and documents. Documents

1 Nov 30, 2021
A PyTorch implementation of "From Two to One: A New Scene Text Recognizer with Visual Language Modeling Network" (ICCV2021)

From Two to One: A New Scene Text Recognizer with Visual Language Modeling Network The official code of VisionLAN (ICCV2021). VisionLAN successfully a

81 Dec 12, 2022
Script that attempts to force M1 macs into RGB mode when used with monitors that are defaulting to YPbPr.

fix_m1_rgb Script that attempts to force M1 macs into RGB mode when used with monitors that are defaulting to YPbPr. No warranty provided for using th

Kevin Gao 116 Jan 01, 2023
ATOMIC 2020: On Symbolic and Neural Commonsense Knowledge Graphs

(Comet-) ATOMIC 2020: On Symbolic and Neural Commonsense Knowledge Graphs Paper Jena D. Hwang, Chandra Bhagavatula, Ronan Le Bras, Jeff Da, Keisuke Sa

AI2 152 Dec 27, 2022
Repository for paper "Non-intrusive speech intelligibility prediction from discrete latent representations"

Non-Intrusive Speech Intelligibility Prediction from Discrete Latent Representations Official repository for paper "Non-Intrusive Speech Intelligibili

Alex McKinney 5 Oct 25, 2022