353 citations · 604 across the 8 of their papers we have counts for
21 papers
Relative Molecule Self-Attention Transformer
Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel +5
Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learni…
Catastrophic Fisher Explosion: Early Phase Fisher Matrix Impacts Generalization
Stanislaw Jastrzebski, Devansh Arpit, Oliver Astrand +6
The early phase of training a deep neural network has a dramatic effect on the local curvature of the loss function. For instance, using a small learning rate does not guarantee st…
Differences between human and machine perception in medical diagnosis
Taro Makino, Stanislaw Jastrzebski, Witold Oleszkiewicz +18
Deep neural networks (DNNs) show promise in image-based medical diagnosis, but cannot be fully trusted since their performance can be severely degraded by dataset shifts to which h…
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design
Cheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski +3
De novo molecule generation often results in chemically unfeasible molecules. A natural idea to mitigate this problem is to bias the search process towards more easily synthesizabl…
An artificial intelligence system for predicting the deterioration of COVID-19 patients in the emergency department
Farah E. Shamout, Yiqiu Shen, Nan Wu +17
During the coronavirus disease 2019 (COVID-19) pandemic, rapid and accurate triage of patients at the emergency department is critical to inform decision-making. We propose a data-…
Understanding the robustness of deep neural network classifiers for breast cancer screening
Witold Oleszkiewicz, Taro Makino, Stanisław Jastrzębski +5
Deep neural networks (DNNs) show promise in breast cancer screening, but their robustness to input perturbations must be better understood before they can be clinically implemented…