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
A different spin on dataclasses.

dataklasses Dataklasses is a library that allows you to quickly define data classes using Python type hints. Here's an example of how you use it: from

David Beazley 752 Nov 18, 2022
Code for our paper "SimCLS: A Simple Framework for Contrastive Learning of Abstractive Summarization", ACL 2021

SimCLS Code for our paper: "SimCLS: A Simple Framework for Contrastive Learning of Abstractive Summarization", ACL 2021 1. How to Install Requirements

Yixin Liu 150 Dec 12, 2022
Quickly and easily create / train a custom DeepDream model

Dream-Creator This project aims to simplify the process of creating a custom DeepDream model by using pretrained GoogleNet models and custom image dat

55 Dec 27, 2022
Code for paper: Group-CAM: Group Score-Weighted Visual Explanations for Deep Convolutional Networks

Group-CAM By Zhang, Qinglong and Rao, Lu and Yang, Yubin [State Key Laboratory for Novel Software Technology at Nanjing University] This repo is the o

zhql 98 Nov 16, 2022
Learning with Noisy Labels via Sparse Regularization, ICCV2021

Learning with Noisy Labels via Sparse Regularization This repository is the official implementation of [Learning with Noisy Labels via Sparse Regulari

Xiong Zhou 38 Oct 20, 2022
AISTATS 2019: Confidence-based Graph Convolutional Networks for Semi-Supervised Learning

Confidence-based Graph Convolutional Networks for Semi-Supervised Learning Source code for AISTATS 2019 paper: Confidence-based Graph Convolutional Ne

MALL Lab (IISc) 56 Dec 03, 2022
Official Pytorch implementation for "End2End Occluded Face Recognition by Masking Corrupted Features, TPAMI 2021"

End2End Occluded Face Recognition by Masking Corrupted Features This is the Pytorch implementation of our TPAMI 2021 paper End2End Occluded Face Recog

Haibo Qiu 25 Oct 31, 2022
Learning Neural Painters Fast! using PyTorch and Fast.ai

The Joy of Neural Painting Learning Neural Painters Fast! using PyTorch and Fast.ai Blogpost with more details: The Joy of Neural Painting The impleme

Libre AI 72 Nov 10, 2022
An Open-Source Package for Information Retrieval.

OpenMatch An Open-Source Package for Information Retrieval. 😃 What's New Top Spot on TREC-COVID Challenge (May 2020, Round2) The twin goals of the ch

THUNLP 439 Dec 27, 2022
Open-source Monocular Python HawkEye for Tennis

Tennis Tracking 🎾 Objectives Track the ball Detect court lines Detect the players To track the ball we used TrackNet - deep learning network for trac

ArtLabs 188 Jan 08, 2023
An implementation of the AdaOPS (Adaptive Online Packing-based Search), which is an online POMDP Solver used to solve problems defined with the POMDPs.jl generative interface.

AdaOPS An implementation of the AdaOPS (Adaptive Online Packing-guided Search), which is an online POMDP Solver used to solve problems defined with th

9 Oct 05, 2022
🔀 Visual Room Rearrangement

AI2-THOR Rearrangement Challenge Welcome to the 2021 AI2-THOR Rearrangement Challenge hosted at the CVPR'21 Embodied-AI Workshop. The goal of this cha

AI2 55 Dec 22, 2022
code for "Feature Importance-aware Transferable Adversarial Attacks"

Feature Importance-aware Attack(FIA) This repository contains the code for the paper: Feature Importance-aware Transferable Adversarial Attacks (ICCV

Hengchang Guo 44 Nov 24, 2022
ComPhy: Compositional Physical Reasoning ofObjects and Events from Videos

ComPhy This repository holds the code for the paper. ComPhy: Compositional Physical Reasoning ofObjects and Events from Videos, (Under review) PDF Pro

29 Dec 29, 2022
Implementation of "Bidirectional Projection Network for Cross Dimension Scene Understanding" CVPR 2021 (Oral)

Bidirectional Projection Network for Cross Dimension Scene Understanding CVPR 2021 (Oral) [ Project Webpage ] [ arXiv ] [ Video ] Existing segmentatio

Hu Wenbo 135 Dec 26, 2022
Spearmint Bayesian optimization codebase

Spearmint Spearmint is a software package to perform Bayesian optimization. The Software is designed to automatically run experiments (thus the code n

Formerly: Harvard Intelligent Probabilistic Systems Group -- Now at Princeton 1.5k Dec 29, 2022
small collection of functions for neural networks

neurobiba other languages: RU small collection of functions for neural networks. very easy to use! Installation: pip install neurobiba See examples h

4 Aug 23, 2021
Diverse Image Generation via Self-Conditioned GANs

Diverse Image Generation via Self-Conditioned GANs Project | Paper Diverse Image Generation via Self-Conditioned GANs Steven Liu, Tongzhou Wang, David

Steven Liu 147 Dec 03, 2022
Dynamical Wasserstein Barycenters for Time Series Modeling

Dynamical Wasserstein Barycenters for Time Series Modeling This is the code related for the Dynamical Wasserstein Barycenter model published in Neurip

8 Sep 09, 2022