Advanced Graph Neural Networks: Architectures and Implementation
Chapter 1: Revisiting Graph Neural Network Foundations
Graph Representations for Machine Learning
The Message Passing Framework Revisited
Spectral Graph Theory Fundamentals for GNNs
Graph Signal Processing Concepts
Expressive Power and the WL Test
Chapter 2: Advanced Graph Neural Network Architectures
Graph Convolutional Networks (GCN)
Graph Attention Networks (GAT)
Implementing Multi-Head Attention in GATs
Graph Transformers
Advanced Spectral GNNs (ChebNet, CayleyNets)
Advanced Spatial GNNs (GraphSAGE Variants, PNA)
Comparing Architectural Choices and Trade-offs
Hands-on Practical: Implementing GAT Layers
Chapter 3: Addressing Training Complexities in GNNs
The Oversmoothing Problem
Techniques to Mitigate Oversmoothing
The Oversquashing Problem
Handling Large Graphs: Scalability Challenges
Neighborhood Sampling Techniques (GraphSAGE)
Graph Sampling Techniques (GraphSAINT, ShaDow-GNN)
Subgraph and Clustering Methods (Cluster-GCN)
Optimization Strategies for GNNs
Practice: Applying Scalable GNN Training
Chapter 4: Advanced GNN Tasks and Techniques
Handling Heterogeneous Graphs (RGCN, HAN)
Modeling Dynamic and Temporal Graphs
Knowledge Graph Embeddings with GNNs
Graph Generative Models
Self-Supervised Learning on Graphs
Graph Pooling and Readout Functions
Hands-on Practical: Heterogeneous Graph Node Classification
Chapter 5: GNN Implementation, Tooling, and Optimization
Deep Graph Library (DGL) Advanced Features
PyTorch Geometric (PyG) Advanced Features
Efficient Sparse Matrix Operations for GNNs
GPU Acceleration and Memory Management
Debugging and Visualizing GNNs
Benchmarking and Performance Tuning
Integrating GNNs into Production Systems
Hands-on Practical: Optimizing a GNN Implementation
Modeling Dynamic and Temporal Graphs
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- EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graph Representation Learning, Aldo Pareja, Giacomo Domeniconi, Jie Chen, Tengfei Ma, Toyotaro Suzumura, Hiroki Kanezashi, Tim Kaler, Tao Schardl, Charles Leiserson, 2020 Proceedings of the AAAI Conference on Artificial Intelligence, Vol. 34 (Association for the Advancement of Artificial Intelligence) DOI: 10.1609/aaai.v34i04.5984 - Introduces a method to dynamically update GNN parameters over time using an RNN, specifically for discrete-time dynamic graphs.
- Temporal Graph Networks for Deep Learning on Dynamic Graphs, Emanuele Rossi, Ben Chamberlain, Fabrizio Frasca, Davide Eynard, Federico Monti, Michael Bronstein, 2020 Advances in Neural Information Processing Systems (NeurIPS), Vol. 33 DOI: 10.48550/arXiv.2006.10637 - Introduces the Temporal Graph Network (TGN) framework, a memory-based approach for continuous-time dynamic graphs.