Introduction to Graph Neural Networks
Chapter 1: Foundations of Graph-Based Learning
What is Graph Data?
Limitations of Standard Neural Networks on Graphs
Common Graph Machine Learning Tasks
Representing Graphs: Adjacency and Feature Matrices
Graph Properties and Measurements
Introduction to the NetworkX Library
Hands-on: Loading and Inspecting a Graph Dataset
Chapter 2: The Message Passing Mechanism
The Neighborhood Aggregation Idea
A General GNN Layer: Aggregate and Update
Common Aggregation Functions
Update Functions and Non-Linearities
Permutation Invariance and Equivariance
Stacking Layers to Form a Deep GNN
Practice: A Simple GNN Layer with NumPy
Chapter 3: Foundational GNN Architectures
Graph Convolutional Networks (GCN)
A Spatial Interpretation of Graph Convolutions
GraphSAGE: Sampling and Aggregating Neighborhoods
Inductive Learning with GraphSAGE
Graph Attention Networks (GAT)
The Attention Mechanism in GATs
Comparing GCN, GraphSAGE, and GAT
Hands-on: Implementing a GCN from Scratch
Chapter 4: Training GNN Models
Setting up a GNN for Node Classification
Loss Functions for Graph Tasks
The Training Loop for GNNs
Data Splitting in Graphs: Transductive vs. Inductive
Evaluation Metrics for Node Classification
Overfitting and Regularization in GNNs
Practice: Training and Evaluating your GCN
Chapter 5: GNN Implementation with PyTorch Geometric
Introduction to PyTorch Geometric (PyG)
The PyG Data Object
Working with PyG Datasets
Building Models with PyG GNN Layers
Mini-Batching for Large Graphs
A Complete Training Script in PyG
Hands-on: Node Classification on the Cora Dataset with PyG
Graph Properties and Measurements
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- Network Science, Albert-László Barabási, 2016 (Cambridge University Press) - Comprehensive coverage of fundamental graph and network properties, including various centrality measures and structural characteristics.
- Graph Theory, Reinhard Diestel, 2017 Vol. 173 (Springer) - A standard academic textbook offering rigorous mathematical foundations for graph theory concepts.
- The Anatomy of a Large-Scale Hypertextual Web Search Engine, Sergey Brin, Lawrence Page, 1998 Computer Networks and ISDN Systems, Vol. 30 (Elsevier Science B.V.) DOI: 10.1016/S0169-7552(98)00110-X - Introduces PageRank, a key algorithm that leverages eigenvector centrality to rank web pages.
- A Comprehensive Survey on Graph Neural Networks, Zonghan Wu, Shirui Pan, Fengwen Chen, Guodong Long, Jing Jiang, and Chengqi Zhang, 2020 IEEE Transactions on Neural Networks and Learning Systems, Vol. 32 (IEEE) DOI: 10.1109/TNNLS.2020.2974411 - Provides a broad overview of Graph Neural Networks, contextualizing the role of graph properties in GNN architectures and applications.