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A Gentle Introduction to Deep Learning for Graphs (1912.12693v2)

Published 29 Dec 2019 in cs.LG, cs.SI, and stat.ML

Abstract: The adaptive processing of graph data is a long-standing research topic which has been lately consolidated as a theme of major interest in the deep learning community. The snap increase in the amount and breadth of related research has come at the price of little systematization of knowledge and attention to earlier literature. This work is designed as a tutorial introduction to the field of deep learning for graphs. It favours a consistent and progressive introduction of the main concepts and architectural aspects over an exposition of the most recent literature, for which the reader is referred to available surveys. The paper takes a top-down view to the problem, introducing a generalized formulation of graph representation learning based on a local and iterative approach to structured information processing. It introduces the basic building blocks that can be combined to design novel and effective neural models for graphs. The methodological exposition is complemented by a discussion of interesting research challenges and applications in the field.

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Authors (4)
  1. Davide Bacciu (107 papers)
  2. Federico Errica (21 papers)
  3. Alessio Micheli (30 papers)
  4. Marco Podda (10 papers)
Citations (260)

Summary

Summary of "A Gentle Introduction to Deep Learning for Graphs"

The paper "A Gentle Introduction to Deep Learning for Graphs" serves as a tutorial and methodical exposition of deep learning techniques applied to graph data structures, specifically focusing on Graph Neural Networks (GNNs) and related methodologies. Graphs, as a versatile representation of structured information, pose unique challenges in adaptive processing given their size variability, relational complexity, and discrete nature. The authors underscore the importance of systematically understanding graph deep learning frameworks in light of the rapidly expanding body of research and emphasize the need for better knowledge systematization.

Graphs can vary in size and topology, leading to specialized requirements for learning models that often utilize local and iterative processing frameworks. Such processing allows for efficient learning of structured data, leveraging the relational properties of graphs without the constraints of node ordering. The field of GNNs has been evolving since the early applications in tree-structured data and is now encompassing broader structural forms, such as cyclic and directed graphs. Methods like graph convolutional and recurrent networks, which draw on both feedforward and recurrent architectures, have been pivotal, each with its mechanisms for diffusing contextual information across graph nodes.

The authors provide a comprehensive overview of graph learning mechanisms, discussing building blocks such as neighborhood aggregation, pooling, and permutation-invariant functions necessary for effective learning in diverse graph structures. These components yield different architectural approaches, ranging from recurrent architectures, like the Graph Neural Network and Graph Echo State Networks, to feedforward networks like Neural Network for Graphs, which overcome iterative convergence issues through multi-layer stacking.

Advanced methods such as attention mechanisms, enabling selective neighborhood focus, and sampling techniques, providing computational efficiency in large graphs, are explored. Furthermore, pooling—a reduction technique that coarsens graphs by community detection—is highlighted for its ability to incorporate hierarchical structural knowledge, improving model performance and interpretability.

The paper also traverses different learning paradigms: unsupervised learning for tasks like link prediction, supervised learning for node and graph classification, and generative models for graph generation. These tasks are essential for practical applications, spanning from chemoinformatics to social network analysis, and exploiting the rich, multi-relational nature of graphs.

Unresolved challenges and promising directions for future research are identified, including dynamic graph learning, handling edge information efficiently, hypergraph applications, and addressing bias-variance trade-offs in model design. The authors advocate for more systematized research efforts and standardization of benchmarks to ensure consistent and reproducible evaluation of new methods.

In summary, this paper offers a thorough introduction to deep learning on graphs, bridging past methodologies with contemporary advancements, and sets a foundation for understanding and developing nuanced graph-based models adaptable to the evolving landscape of structured data learning. Future research will likely build upon these established concepts, fostering innovative applications and addressing the outlined challenges.