Multiresolution Graph Variational Autoencoder

06/02/2021
by   Truong-Son Hy, et al.
2

In this paper, we propose Multiresolution Graph Networks (MGN) and Multiresolution Graph Variational Autoencoders (MGVAE) to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGN employs higher order message passing to encode the graph while learning to partition it into mutually exclusive clusters and coarsening into a lower resolution. MGVAE constructs a hierarchical generative model based on MGN to variationally autoencode the hierarchy of coarsened graphs. Our proposed framework is end-to-end permutation equivariant with respect to node ordering. Our methods have been successful with several generative tasks including link prediction on citation graphs, unsupervised molecular representation learning to predict molecular properties, molecular generation, general graph generation and graph-based image generation.

READ FULL TEXT

page 26

page 27

page 28

research
04/08/2020

The general theory of permutation equivarant neural networks and higher order graph variational encoders

Previous work on symmetric group equivariant neural networks generally o...
research
04/20/2021

Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning

Recently, there has been great success in applying deep neural networks ...
research
05/03/2021

Representation Learning using Graph Autoencoders with Residual Connections

Graph autoencoders are very efficient at embedding graph-based complex d...
research
01/12/2022

GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules

Finding low dimensional representation of data from long-timescale traje...
research
04/18/2019

Decoding Molecular Graph Embeddings with Reinforcement Learning

We present RL-VAE, a graph-to-graph variational autoencoder that uses re...
research
05/15/2021

An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming

Predicting molecular conformations (or 3D structures) from molecular gra...
research
02/14/2020

Graph Deconvolutional Generation

Graph generation is an extremely important task, as graphs are found thr...

Please sign up or login with your details

Forgot password? Click here to reset