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Learning distributions over graph-structured data is a challenging task with many applications in biology and chemistry. In this work we use an energy-based model (EBM) based on multi-channel graph neural networks (GNN) to learn permutation invariant unnormalized density functions on graphs. Unlike standard EBM training methods our approach is to learn the model via minimizing adversarial stein discrepancy. Samples from the model can be obtained via Langevin dynamics based MCMC. We find that this approach achieves competitive results on graph generation compared to benchmark models.
We present a new method for evaluating and training unnormalized density models. Our approach only requires access to the gradient of the unnormalized models log-density. We estimate the Stein discrepancy between the data density $p(x)$ and the model
Adversarial training is an approach for increasing models resilience against adversarial perturbations. Such approaches have been demonstrated to result in models with feature representations that generalize better. However, limited works have been d
Graph neural network (GNN) explanations have largely been facilitated through post-hoc introspection. While this has been deemed successful, many post-hoc explanation methods have been shown to fail in capturing a models learned representation. Due t
Generative adversarial networks (GANs) learn the distribution of observed samples through a zero-sum game between two machine players, a generator and a discriminator. While GANs achieve great success in learning the complex distribution of image, so
Adversarial training, in which a network is trained on adversarial examples, is one of the few defenses against adversarial attacks that withstands strong attacks. Unfortunately, the high cost of generating strong adversarial examples makes standard