Jay Morgan

Jay Morgan, Adeline Paiement, Christian Klinke

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules and crystals) represented as graphs. We integrate two elements of domain knowledge into the design of the GNN to constrain and regularise its learning, towards higher accuracy and generalisation. First, knowledge on the existence of different types of relations (chemical bonds) between atoms is used to modulate the interaction of nodes in the GNN. Second, knowledge of the relevance of some physical quantities is used to constrain the learnt features towards a higher physical relevance using a simple multi-task paradigm. We demonstrate the general applicability of our knowledge integrations by applying them to two architectures that rely on different mechanisms to propagate information between nodes and to update node states.

Amal Chaoui, Jay Paul Morgan, Adeline Paiement et al.

The study and prediction of space weather entails the analysis of solar images showing structures of the Sun's atmosphere. When imaged from the Earth's ground, images may be polluted by terrestrial clouds which hinder the detection of solar structures. We propose a new method to remove cloud shadows, based on a U-Net architecture, and compare classical supervision with conditional GAN. We evaluate our method on two different imaging modalities, using both real images and a new dataset of synthetic clouds. Quantitative assessments are obtained through image quality indices (RMSE, PSNR, SSIM, and FID). We demonstrate improved results with regards to the traditional cloud removal technique and a sparse coding baseline, on different cloud types and textures.

Tonicha Crook, Jay Morgan, Arno Pauly et al.

There is a strong consensus that combining the versatility of machine learning with the assurances given by formal verification is highly desirable. It is much less clear what verified machine learning should mean exactly. We consider this question from the (unexpected?) perspective of computable analysis. This allows us to define the computational tasks underlying verified ML in a model-agnostic way, and show that they are in principle computable.

Jay Morgan, Adeline Paiement, Arno Pauly et al.

Deep Neural Networks (DNNs) have often supplied state-of-the-art results in pattern recognition tasks. Despite their advances, however, the existence of adversarial examples have caught the attention of the community. Many existing works have proposed methods for searching for adversarial examples within fixed-sized regions around training points. Our work complements and improves these existing approaches by adapting the size of these regions based on the problem complexity and data sampling density. This makes such approaches more appropriate for other types of data and may further improve adversarial training methods by increasing the region sizes without creating incorrect labels.