Graph Machine Learning - Learning Path

Read in order if you are new. Each page explains what, why, how, and when not - with derivations and code.

Part 1 - Foundations

Start here if you only know basic ML (vectors, matrices, neural nets).

  • Graph Foundations
    What is a graph, adjacency matrix, Laplacian, graph tasks, why graphs beat flat ML on relational data.
  • Representation & Data Preparation
    Node/edge/graph features, building graphs from raw data, splits, leakage, PyTorch Geometric, DGL.

Part 2 - Core GNN Theory

The heart of graph deep learning: message passing and classic architectures.

  • Message Passing Framework
    MPNN, permutation invariance/equivariance, aggregation, update - the unified view behind all GNNs.
  • Classic Architectures
    GCN, GraphSAGE, GAT, GIN, MPNN - full math, intuition, code, and when to pick each.
  • Spectral Methods
    Graph Fourier transform, ChebNet, spectral vs spatial convolution - where GCN really comes from.

Part 3 - Advanced Architectures

Going deeper: limitations, heterogeneous graphs, time, and transformers on graphs.

Part 4 - Practice & Frontier

Training at scale, choosing GNNs, LLM integration, and latest research.

Quick Reference

Formula cheat sheet: GNN Formula Sheet · Key papers: Papers Hub