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Hands-On Graph Neural Networks Using Python

Hands-On Graph Neural Networks Using Python

By : Maxime Labonne
4.1 (23)
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Hands-On Graph Neural Networks Using Python

Hands-On Graph Neural Networks Using Python

4.1 (23)
By: Maxime Labonne

Overview of this book

Graph neural networks are a highly effective tool for analyzing data that can be represented as a graph, such as networks, chemical compounds, or transportation networks. The past few years have seen an explosion in the use of graph neural networks, with their application ranging from natural language processing and computer vision to recommendation systems and drug discovery. Hands-On Graph Neural Networks Using Python begins with the fundamentals of graph theory and shows you how to create graph datasets from tabular data. As you advance, you’ll explore major graph neural network architectures and learn essential concepts such as graph convolution, self-attention, link prediction, and heterogeneous graphs. Finally, the book proposes applications to solve real-life problems, enabling you to build a professional portfolio. The code is readily available online and can be easily adapted to other datasets and apps. By the end of this book, you’ll have learned to create graph datasets, implement graph neural networks using Python and PyTorch Geometric, and apply them to solve real-world problems, along with building and training graph neural network models for node and graph classification, link prediction, and much more.
Table of Contents (25 chapters)
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1
Part 1: Introduction to Graph Learning
5
Part 2: Fundamentals
10
Part 3: Advanced Techniques
18
Part 4: Applications
22
Chapter 18: Unlocking the Potential of Graph Neural Networks for Real-World Applications

Explaining GNNs with Captum

In this section, we will first introduce Captum and the integrated gradients technique applied to graph data. Then, we will implement it using a PyTorch Geometric model on the Twitch social network.

Introducing Captum and integrated gradients

Captum (captum.ai) is a Python library that implements many state-of-the-art explanation algorithms for PyTorch models. This library is not dedicated to GNNs: it can also be applied to text, images, tabular data, and so on. It is particularly useful because it allows users to quickly test various techniques and compare different explanations for the same prediction. In addition, Captum implements popular algorithms such as LIME and Gradient SHAP for primary, layer, and neuron attributions.

In this section, we will use it to apply a graph version of integrated gradients [4]. This technique aims to assign an attribution score to every input feature. To this end, it uses gradients with respect to the model’...

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