Gamma Graph Library(GammaGL)

Documentation |启智社区

GammaGL is a multi-backend graph learning library based on TensorLayerX, which supports TensorFlow, PyTorch, PaddlePaddle, MindSpore as the backends.

We give a development tutorial in Chinese on wiki.

Highlighted Features

Multi-backend

GammaGL supports multiple deep learning backends, such as TensorFlow, PyTorch, Paddle and MindSpore. Different from DGL, the GammaGL's examples are implemented with the same code on different backend. It allows users to run the same code on different hardwares like Nvidia-GPU and Huawei-Ascend. Besides, users could use a particular framework API based on preferences for different frameworks.

PyG-Like

Following PyTorch Geometric(PyG), GammaGL utilizes a tensor-centric API. If you are familiar with PyG, it will be friendly and maybe a TensorFlow Geometric, Paddle Geometric, or MindSpore Geometric to you.

News

Quick Tour for New Users

In this quick tour, we highlight the ease of creating and training a GNN model with only a few lines of code.

Train your own GNN model

In the first glimpse of GammaGL, we implement the training of a GNN for classifying papers in a citation graph. For this, we load the Cora dataset, and create a simple 2-layer GCN model using the pre-defined GCNConv:

import tensorlayerx as tlx
from gammagl.layers.conv import GCNConv
from gammagl.datasets import Planetoid

dataset = Planetoid(root='.', name='Cora')

class GCN(tlx.nn.Module):
    def __init__(self, in_channels, hidden_channels, out_channels):
        super().__init__()
        self.conv1 = GCNConv(in_channels, hidden_channels)
        self.conv2 = GCNConv(hidden_channels, out_channels)
        self.relu = tlx.ReLU()

    def forward(self, x, edge_index):
        # x: Node feature matrix of shape [num_nodes, in_channels]
        # edge_index: Graph connectivity matrix of shape [2, num_edges]
        x = self.conv1(x, edge_index)
        x = self.relu(x)
        x = self.conv2(x, edge_index)
        return x

model = GCN(dataset.num_features, 16, dataset.num_classes)

import tensorlayerx as tlx
data = dataset[0]
loss_fn = tlx.losses.softmax_cross_entropy_with_logits
optimizer = tlx.optimizers.Adam(learning_rate=1e-3)
net_with_loss = tlx.model.WithLoss(model, loss_fn)
train_one_step = tlx.model.TrainOneStep(net_with_loss, optimizer, train_weights)

for epoch in range(200):
    loss = train_one_step(data.x, data.y)

import torch.nn.functional as F

data = dataset[0]
optimizer = torch.optim.Adam(model.parameters(), lr=0.01)

for epoch in range(200):
    pred = model(data.x, data.edge_index)
    loss = F.cross_entropy(pred[data.train_mask], data.y[data.train_mask])

    # Backpropagation
    optimizer.zero_grad()
    loss.backward()
    optimizer.step()

import tensorflow as tf

optimizer = tf.keras.optimizers.Adam()
loss_fn = tf.keras.losses.SparseCategoricalCrossentropy(from_logits=True)
for epoch in range(200):
    with tf.GradientTape() as tape:
        predictions = model(images, training=True)
        loss = loss_fn(labels, predictions)
    gradients = tape.gradient(loss, model.trainable_variables)
    optimizer.apply_gradients(zip(gradients, model.trainable_variables))

import paddle

data = dataset[0]
optim = paddle.optimizer.Adam(parameters=model.parameters())
loss_fn = paddle.nn.CrossEntropyLoss()

model.train()
for epoch in range(200):
    predicts = model(data.x, data.edge_index)
    loss = loss_fn(predicts, y_data)

    # Backpropagation
    loss.backward()
    optim.step()
    optim.clear_grad()

# 1. Generate training dataset
train_dataset = create_dataset(num_data=160, batch_size=16)

# 2.Build a model and define the loss function
net = LinearNet()
loss = nn.MSELoss()

# 3.Connect the network with loss function, and define the optimizer
net_with_loss = nn.WithLossCell(net, loss)
opt = nn.Momentum(net.trainable_params(), learning_rate=0.005, momentum=0.9)

# 4.Define the training network
train_net = nn.TrainOneStepCell(net_with_loss, opt)

# 5.Set the model as training mode
train_net.set_train()

# 6.Training procedure
for epoch in range(200):
    for d in train_dataset.create_dict_iterator():
        result = train_net(d['data'], d['label'])
        print(f"Epoch: [{epoch} / {epochs}], "
              f"step: [{step} / {steps}], "
              f"loss: {result}")
        step = step + 1

More information about evaluating final model performance can be found in the corresponding example.

Create your own GNN layer

In addition to the easy application of existing GNNs, GammaGL makes it simple to implement custom Graph Neural Networks (see here for the accompanying tutorial). For example, this is all it takes to implement the edge convolutional layer from Wang et al.:

$$x_i^{\prime} ~ = ~ \max_{j \in \mathcal{N}(i)} ~ \textrm{MLP}_{\theta} \left( [ ~ x_i, ~ x_j - x_i ~ ] \right)$$

import tensorlayerx as tlx
from tensorlayerx.nn import Sequential as Seq, Linear, ReLU
from gammagl.layers import MessagePassing

class EdgeConv(MessagePassing):
    def __init__(self, in_channels, out_channels):
        super().__init__()
        self.mlp = Seq(Linear(2 * in_channels, out_channels),
                       ReLU(),
                       Linear(out_channels, out_channels))

    def forward(self, x, edge_index):
        # x has shape [N, in_channels]
        # edge_index has shape [2, E]

        return self.propagate(x=x, edge_index,aggr_type='max')

    def message(self, x_i, x_j):
        # x_i has shape [E, in_channels]
        # x_j has shape [E, in_channels]

        tmp = tlx.concat([x_i, x_j - x_i], axis=1)  # tmp has shape [E, 2 * in_channels]
        return self.mlp(tmp)

Get Started

1. Python environment (Optional): We recommend using Conda package manager

   $ conda create -n ggl python=3.8
   $ source activate ggl
   

2. Install Backend

   # For tensorflow
   $ pip install tensorflow-gpu # GPU version
   $ pip install tensorflow # CPU version
   
   # For torch, version 1.10
   # https://pytorch.org/get-started/locally/
   $ pip install torch==1.10.1+cu111 torchvision==0.11.2+cu111 torchaudio==0.10.1 -f https://download.pytorch.org/whl/cu111/torch_stable.html
   
   # For paddle, any latest stable version
   # https://www.paddlepaddle.org.cn/
   $ python -m pip install paddlepaddle-gpu
   
   # For mindspore, GammaGL only supports version 1.8.1, GPU-CUDA 11.1
   # https://www.mindspore.cn/install
   $ pip install https://ms-release.obs.cn-north-4.myhuaweicloud.com/1.8.1/MindSpore/gpu/x86_64/cuda-11.1/mindspore_gpu-1.8.1-cp37-cp37m-linux_x86_64.whl --trusted-host ms-release.obs.cn-north-4.myhuaweicloud.com -i https://pypi.tuna.tsinghua.edu.cn/simple
   

   For other backend with specific version, please check whether TLX supports.

   Install TensorLayerX

   pip install git+https://github.com/tensorlayer/tensorlayerx.git 
   

   大陆用户如果遇到网络问题，推荐从启智社区安装

   Try to git clone from OpenI

   pip install git+https://git.openi.org.cn/OpenI/TensorLayerX.git

   Note:

   • TensorFlow is necessary when installing TensorLayerX.
   • The version of protobuf should be 3.19.6, remember to re-install it after you install TensorLayerX.

3. Download GammaGL

   $ git clone --recursive https://github.com/BUPT-GAMMA/GammaGL.git
   $ pip install pybind11 pyparsing
   $ python setup.py install
   

   大陆用户如果遇到网络问题，推荐从启智社区安装

   Try to git clone from OpenI

   git clone --recursive https://git.openi.org.cn/GAMMALab/GammaGL.git

   Note:

   "--recursive" is necessary, if you forgot, you can run command below in GammaGL root dir:

   git submodule update --init

How to Run

Take GCN as an example:

# cd ./examples/gcn
# set parameters if necessary
python gcn_trainer.py --dataset cora --lr 0.01

If you want to use specific backend or GPU, just set environment variable like:

CUDA_VISIBLE_DEVICES="1" TL_BACKEND="paddle" python gcn_trainer.py

Note

The DEFAULT backend is tensorflow and GPU is 0. The backend TensorFlow will take up all GPU left memory by default.

The CANDIDATE backends are tensorflow, paddle, torch and mindspore.

Set CUDA_VISIBLE_DEVICES=" " if you want to run it in CPU.

Supported Models

Note

The models can be run in mindspore backend. Howerver, the results of experiments are not satisfying due to training component issue, which will be fixed in future.

Contributors

GammaGL Team[GAMMA LAB] and Peng Cheng Laboratory.

See more in CONTRIBUTING.

Contribution is always welcomed. Please feel free to open an issue or email to [email protected].

Cite GammaGL

If you use GammaGL in a scientific publication, we would appreciate citations to the following paper:

@inproceedings{Liu2023gammagl,
  title={GammaGL: A Multi-Backend Library for Graph Neural Networks},
  author={Yaoqi Liu, Cheng Yang, Tianyu Zhao, Hui Han, Siyuan Zhang, Jing Wu, Guangyu Zhou, Hai Huang, Hui Wang, Chuan Shi},
  booktitle={SIGIR},
  year={2023}
}