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10/17/2022
Industry-Scale Orchestrated Federated Learning for Drug Discovery
To apply federated learning to drug discovery we developed a novel platf...
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03/09/2022
SparseChem: Fast and accurate machine learning model for small molecules
SparseChem provides fast and accurate machine learning models for bioche...
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03/25/2021
Self-Labeling of Fully Mediating Representations by Graph Alignment
To be able to predict a molecular graph structure (W) given a 2D image o...
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09/25/2020
Multilevel Gibbs Sampling for Bayesian Regression
Bayesian regression remains a simple but effective tool based on Bayesia...
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02/23/2020
ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning
In drug discovery, knowledge of the graph structure of chemical compound...
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07/25/2019
Graph Informer Networks for Molecules
In machine learning, chemical molecules are often represented by sparse ...
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05/29/2019
GRU-ODE-Bayes: Continuous modeling of sporadically-observed time series
Modeling real-world multidimensional time series can be particularly cha...
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11/26/2018
Deep Ensemble Tensor Factorization for Longitudinal Patient Trajectories Classification
We present a generative approach to classify scarcely observed longitudi...
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06/15/2018
Multilevel preconditioning for Ridge Regression
Solving linear systems is often the computational bottleneck in real-lif...
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09/14/2017
Fast semi-supervised discriminant analysis for binary classification of large data-sets
High-dimensional data requires scalable algorithms. We propose and analy...
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12/01/2015
Highly Scalable Tensor Factorization for Prediction of Drug-Protein Interaction Type
The understanding of the type of inhibitory interaction plays an importa...
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09/15/2015