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
Select, weight and analyze complex sample data

Sample Analytics In large-scale surveys, often complex random mechanisms are used to select samples. Estimates derived from such samples must reflect

samplics 37 Dec 15, 2022
PolyphonicFormer: Unified Query Learning for Depth-aware Video Panoptic Segmentation

PolyphonicFormer: Unified Query Learning for Depth-aware Video Panoptic Segmentation Winner method of the ICCV-2021 SemKITTI-DVPS Challenge. [arxiv] [

Yuan Haobo 38 Jan 03, 2023
Simple tutorials using Google's TensorFlow Framework

TensorFlow-Tutorials Introduction to deep learning based on Google's TensorFlow framework. These tutorials are direct ports of Newmu's Theano Tutorial

Nathan Lintz 6k Jan 06, 2023
MagFace: A Universal Representation for Face Recognition and Quality Assessment

MagFace MagFace: A Universal Representation for Face Recognition and Quality Assessment in IEEE Conference on Computer Vision and Pattern Recognition

Qiang Meng 523 Jan 05, 2023
Graph-based community clustering approach to extract protein domains from a predicted aligned error matrix

Using a predicted aligned error matrix corresponding to an AlphaFold2 model , returns a series of lists of residue indices, where each list corresponds to a set of residues clustering together into a

Tristan Croll 24 Nov 23, 2022
No-reference Image Quality Assessment(NIQA) Algorithms (BRISQUE, NIQE, PIQE, RankIQA, MetaIQA)

No-Reference Image Quality Assessment Algorithms No-reference Image Quality Assessment(NIQA) is a task of evaluating an image without a reference imag

Dae-Young Song 26 Jan 04, 2023
PyKale is a PyTorch library for multimodal learning and transfer learning as well as deep learning and dimensionality reduction on graphs, images, texts, and videos

PyKale is a PyTorch library for multimodal learning and transfer learning as well as deep learning and dimensionality reduction on graphs, images, texts, and videos. By adopting a unified pipeline-ba

PyKale 370 Dec 27, 2022
CoTr: Efficiently Bridging CNN and Transformer for 3D Medical Image Segmentation

CoTr: Efficient 3D Medical Image Segmentation by bridging CNN and Transformer This is the official pytorch implementation of the CoTr: Paper: CoTr: Ef

218 Dec 25, 2022
A toolkit for making real world machine learning and data analysis applications in C++

dlib C++ library Dlib is a modern C++ toolkit containing machine learning algorithms and tools for creating complex software in C++ to solve real worl

Davis E. King 11.6k Jan 01, 2023
The codebase for our paper "Generative Occupancy Fields for 3D Surface-Aware Image Synthesis" (NeurIPS 2021)

Generative Occupancy Fields for 3D Surface-Aware Image Synthesis (NeurIPS 2021) Project Page | Paper Xudong Xu, Xingang Pan, Dahua Lin and Bo Dai GOF

xuxudong 97 Nov 10, 2022
Official PyTorch implementation of the NeurIPS 2021 paper StyleGAN3

Alias-Free Generative Adversarial Networks (StyleGAN3) Official PyTorch implementation of the NeurIPS 2021 paper Alias-Free Generative Adversarial Net

Eugenio Herrera 92 Nov 18, 2022
Highly comparative time-series analysis

〰️ hctsa 〰️ : highly comparative time-series analysis hctsa is a software package for running highly comparative time-series analysis using Matlab (fu

Ben Fulcher 569 Dec 21, 2022
Extreme Lightwegith Portrait Segmentation

Extreme Lightwegith Portrait Segmentation Please go to this link to download code Requirements python 3 pytorch = 0.4.1 torchvision==0.2.1 opencv-pyt

HYOJINPARK 59 Dec 16, 2022
PyTorch implementation of spectral graph ConvNets, NIPS’16

Graph ConvNets in PyTorch October 15, 2017 Xavier Bresson http://www.ntu.edu.sg/home/xbresson https://github.com/xbresson https://twitter.com/xbresson

Xavier Bresson 287 Jan 04, 2023
The official implementation of the CVPR2021 paper: Decoupled Dynamic Filter Networks

Decoupled Dynamic Filter Networks This repo is the official implementation of CVPR2021 paper: "Decoupled Dynamic Filter Networks". Introduction DDF is

F.S.Fire 180 Dec 30, 2022
Nested cross-validation is necessary to avoid biased model performance in embedded feature selection in high-dimensional data with tiny sample sizes

Pruner for nested cross-validation - Sphinx-Doc Nested cross-validation is necessary to avoid biased model performance in embedded feature selection i

1 Dec 15, 2021
D²Conv3D: Dynamic Dilated Convolutions for Object Segmentation in Videos

D²Conv3D: Dynamic Dilated Convolutions for Object Segmentation in Videos This repository contains the implementation for "D²Conv3D: Dynamic Dilated Co

17 Oct 20, 2022
The code for the NeurIPS 2021 paper "A Unified View of cGANs with and without Classifiers".

Energy-based Conditional Generative Adversarial Network (ECGAN) This is the code for the NeurIPS 2021 paper "A Unified View of cGANs with and without

sianchen 22 May 28, 2022
PyTorch implementation of UPFlow (unsupervised optical flow learning)

UPFlow: Upsampling Pyramid for Unsupervised Optical Flow Learning By Kunming Luo, Chuan Wang, Shuaicheng Liu, Haoqiang Fan, Jue Wang, Jian Sun Megvii

kunming luo 87 Dec 20, 2022
Code & Data for Enhancing Photorealism Enhancement

Enhancing Photorealism Enhancement Stephan R. Richter, Hassan Abu AlHaija, Vladlen Koltun Paper | Website (with side-by-side comparisons) | Video (Pap

Intelligent Systems Lab Org 1.1k Dec 31, 2022