by Benjamin Midtvedt, Jesús Pineda, Henrik Klein Moberg, Harshith Bachimanchi, Joana B. Pereira, Carlo Manzo, Giovanni Volpe
No Starch Press, San Francisco (CA), 2025
ISBN-13: 9781718503922
https://nostarch.com/deep-learning-crash-course
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Graph Neural Networks for Relational Data Analysis
Shows how graph neural networks (GNNs) can model graph-structured data (molecules, cell trajectories, physics simulations) using message passing and graph convolutions.
Code 11-1: Predicting Molecular Properties with Graph Neural Networks
Demonstrates how to implement graph convolutional and message-passing layers, apply them to the ZINC dataset, and predict molecular logP values. It highlights the stepwise approach of building GNN layers, normalizing adjacency matrices, handling node and edge embeddings, and combining them with readouts for regression on chemical compounds.Code 11-A: Simulating Complex Physical Phenomena with Graph Neural Networks
Implements a graph-based simulator for granular particle systems (SAND dataset). It shows how a GNN can learn to predict accelerations of interacting particles from observations and iteratively simulates the system dynamics faster than traditional force-field simulations.Code 11-B: Identifying Cell Trajectories with MAGIK
Constructs a directed graph to model cell movement across frames in biological imaging, then trains a simplified MAGIK network to classify edges as true connections. Post-processing recovers trajectories that approximate cells’ paths accurately, even through divisions or noisy segmentations.