457 citations · 815 across the 15 of their papers we have counts for
7 papers · 1 filter
Industry-Scale Orchestrated Federated Learning for Drug Discovery
Martijn Oldenhof, Gergely Ács, Balázs Pejó +44
To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n°831472), whic…
Self-Labeling of Fully Mediating Representations by Graph Alignment
Martijn Oldenhof, Adam Arany, Yves Moreau +1
To be able to predict a molecular graph structure () given a 2D image of a chemical compound () is a challenging problem in machine learning. We are interested to learn $f: U…
Topological Graph Neural Networks
Max Horn, Edward De Brouwer, Michael Moor +3
Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present…
Longitudinal modeling of MS patient trajectories improves predictions of disability progression
Edward De Brouwer, Thijs Becker, Yves Moreau +38
Research in Multiple Sclerosis (MS) has recently focused on extracting knowledge from real-world clinical data sources. This type of data is more abundant than data produced during…
GRU-ODE-Bayes: Continuous modeling of sporadically-observed time series
Edward De Brouwer, Jaak Simm, Adam Arany +1
Modeling real-world multidimensional time series can be particularly challenging when these are sporadically observed (i.e., sampling is irregular both in time and across dimension…
Deep Ensemble Tensor Factorization for Longitudinal Patient Trajectories Classification
Edward De Brouwer, Jaak Simm, Adam Arany +1
We present a generative approach to classify scarcely observed longitudinal patient trajectories. The available time series are represented as tensors and factorized using generati…
Easy Hyperparameter Search Using Optunity
Marc Claesen, Jaak Simm, Dusan Popovic +2
Optunity is a free software package dedicated to hyperparameter optimization. It contains various types of solvers, ranging from undirected methods to direct search, particle swarm…