Portrait de Rim Assouel

Rim Assouel

Doctorat - UdeM
Superviseur⋅e principal⋅e
Yoshua Bengio
Sujets de recherche
Apprentissage de représentations
Raisonnement
Vision par ordinateur

Publications

DEFactor: Differentiable Edge Factorization-based Probabilistic Graph Generation
Rim Assouel
Mohamed Ahmed
Marwin Segler
Amir Saffari
Yoshua Bengio
Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative mo… (voir plus)dels have shown a promising way of performing de-novo molecular design. Although graph generative models are currently available they either have a graph size dependency in their number of parameters, limiting their use to only very small graphs or are formulated as a sequence of discrete actions needed to construct a graph, making the output graph non-differentiable w.r.t the model parameters, therefore preventing them to be used in scenarios such as conditional graph generation. In this work we propose a model for conditional graph generation that is computationally efficient and enables direct optimisation of the graph. We demonstrate favourable performance of our model on prototype-based molecular graph conditional generation tasks.
2018-09-26
ArXiv (prépublication)
openreview.net
openreview.net