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07/06/2023
Quantification of Uncertainty with Adversarial Models
Quantifying uncertainty is important for actionable predictions in real-...
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03/06/2023
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
Activity and property prediction models are the central workhorses in dr...
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10/21/2021
CLOOB: Modern Hopfield Networks with InfoLOOB Outperform CLIP
Contrastive learning with the InfoNCE objective is exceptionally success...
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04/07/2021
Modern Hopfield Networks for Few- and Zero-Shot Reaction Prediction
An essential step in the discovery of new drugs and materials is the syn...
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01/13/2021
MC-LSTM: Mass-Conserving LSTM
The success of Convolutional Neural Networks (CNNs) in computer vision i...
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10/13/2020
Cross-Domain Few-Shot Learning by Representation Fusion
In order to quickly adapt to new data, few-shot learning aims at learnin...
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07/16/2020
Hopfield Networks is All You Need
We show that the transformer attention mechanism is the update rule of a...
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03/25/2020
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networks
Due to the current severe acute respiratory syndrome coronavirus 2 (SARS...
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11/14/2019
Detecting cutaneous basal cell carcinomas in ultra-high resolution and weakly labelled histopathological images
Diagnosing basal cell carcinomas (BCC), one of the most common cutaneous...
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07/19/2019
Benchmarking a Catchment-Aware Long Short-Term Memory Network (LSTM) for Large-Scale Hydrological Modeling
Regional rainfall-runoff modeling is an old but still mostly out-standin...
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03/19/2019
NeuralHydrology - Interpreting LSTMs in Hydrology
Despite the huge success of Long Short-Term Memory networks, their appli...
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03/07/2019
Interpretable Deep Learning in Drug Discovery
Without any means of interpretation, neural networks that predict molecu...
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03/26/2018
Fréchet ChemblNet Distance: A metric for generative models for molecules
The new wave of successful generative models in machine learning has inc...
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08/29/2017
Coulomb GANs: Provably Optimal Nash Equilibria via Potential Fields
Generative adversarial networks (GANs) evolved into one of the most succ...
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06/08/2017
Self-Normalizing Neural Networks
Deep Learning has revolutionized vision via convolutional neural network...
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03/04/2015