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Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the actual task the GNN is solving. In absence of reliable domain expertise, one might resort to inferring the latent graph structure, which is often difficult due to the vast search space of possible graphs. Here we introduce Pointer Graph Networks (PGNs) which augment sets or graphs with additional inferred edges for improved model generalisation ability. PGNs allow each node to dynamically point to another node, followed by message passing over these pointers. The sparsity of this adaptable graph structure makes learning tractable while still being sufficiently expressive to simulate complex algorithms. Critically, the pointing mechanism is directly supervised to model long-term sequences of operations on classical data structures, incorporating useful structural inductive biases from theoretical computer science. Qualitatively, we demonstrate that PGNs can learn parallelisable variants of pointer-based data structures, namely disjoint set unions and link/cut trees. PGNs generalise out-of-distribution to 5x larger test inputs on dynamic graph connectivity tasks, outperforming unrestricted GNNs and Deep Sets.
Author Information
Petar Veličković (DeepMind)
Lars Buesing (Google DeepMind)
Matthew Overlan (DeepMind)
Razvan Pascanu (Google DeepMind)
Oriol Vinyals (Google DeepMind)
Oriol Vinyals is a Research Scientist at Google. He works in deep learning with the Google Brain team. Oriol holds a Ph.D. in EECS from University of California, Berkeley, and a Masters degree from University of California, San Diego. He is a recipient of the 2011 Microsoft Research PhD Fellowship. He was an early adopter of the new deep learning wave at Berkeley, and in his thesis he focused on non-convex optimization and recurrent neural networks. At Google Brain he continues working on his areas of interest, which include artificial intelligence, with particular emphasis on machine learning, language, and vision.
Charles Blundell (DeepMind)
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