Zobrazeno 1 - 10
of 146
pro vyhledávání: '"P. Klambauer"'
Autor:
Beck, Maximilian, Pöppel, Korbinian, Spanring, Markus, Auer, Andreas, Prudnikova, Oleksandra, Kopp, Michael, Klambauer, Günter, Brandstetter, Johannes, Hochreiter, Sepp
In the 1990s, the constant error carousel and gating were introduced as the central ideas of the Long Short-Term Memory (LSTM). Since then, LSTMs have stood the test of time and contributed to numerous deep learning success stories, in particular the
Externí odkaz:
http://arxiv.org/abs/2405.04517
Autor:
Sestak, Florian, Schneckenreiter, Lisa, Brandstetter, Johannes, Hochreiter, Sepp, Mayr, Andreas, Klambauer, Günter
Being able to identify regions within or around proteins, to which ligands can potentially bind, is an essential step to develop new drugs. Binding site identification methods can now profit from the availability of large amounts of 3D structures in
Externí odkaz:
http://arxiv.org/abs/2404.07194
Autor:
Schneckenreiter, Lisa, Freinschlag, Richard, Sestak, Florian, Brandstetter, Johannes, Klambauer, Günter, Mayr, Andreas
Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of GNNs with respect to their ability to discriminate non-isomorphic grap
Externí odkaz:
http://arxiv.org/abs/2403.04747
Autor:
Hoedt, Pieter-Jan, Klambauer, Günter
Input-Convex Neural Networks (ICNNs) are networks that guarantee convexity in their input-output mapping. These networks have been successfully applied for energy-based modelling, optimal transport problems and learning invariances. The convexity of
Externí odkaz:
http://arxiv.org/abs/2312.12474
Autor:
Schweighofer, Kajetan, Aichberger, Lukas, Ielanskyi, Mykyta, Klambauer, Günter, Hochreiter, Sepp
Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product between a d
Externí odkaz:
http://arxiv.org/abs/2307.03217
Autor:
Schimunek, Johannes, Seidl, Philipp, Friedrich, Lukas, Kuhn, Daniel, Rippmann, Friedrich, Hochreiter, Sepp, Klambauer, Günter
A central task in computational drug discovery is to construct models from known active molecules to find further promising molecules for subsequent screening. However, typically only very few active molecules are known. Therefore, few-shot learning
Externí odkaz:
http://arxiv.org/abs/2305.09481
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
Activity and property prediction models are the central workhorses in drug discovery and materials sciences, but currently they have to be trained or fine-tuned for new tasks. Without training or fine-tuning, scientific language models could be used
Externí odkaz:
http://arxiv.org/abs/2303.03363
Autor:
Nabeel Mansour, Kathrin Heinrich, Danmei Zhang, Michael Winkelmann, Maria Ingenerf, Lukas Gold, Konstantin Klambauer, Martina Rudelius, Frederick Klauschen, Michael von Bergwelt-Baildon, Jens Ricke, Volker Heinemann, C. Benedikt Westphalen, Wolfgang G. Kunz
Publikováno v:
Cancer Imaging, Vol 24, Iss 1, Pp 1-8 (2024)
Abstract Purpose To assess the eligibility of patients with advanced or recurrent solid malignancies presented to a molecular tumor board (MTB) at a large precision oncology center for inclusion in trials with the endpoints objective response rate (O
Externí odkaz:
https://doaj.org/article/47042810f04d489eba1c81669198440c
Publikováno v:
SoftwareX, Vol 27, Iss , Pp 101879- (2024)
This paper introduces the automation measurement software FlexSensor for capturing resonant spectra, an innovative and extensible software program developed explicitly for measuring and evaluating wafer-level Silicon Photonic (SiPh) circuits. Wafer-l
Externí odkaz:
https://doaj.org/article/4274f145df074033977cabe44a979fa6
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-14 (2023)
Abstract The field of bioimage analysis is currently impacted by a profound transformation, driven by the advancements in imaging technologies and artificial intelligence. The emergence of multi-modal AI systems could allow extracting and utilizing k
Externí odkaz:
https://doaj.org/article/87b7699efaa0484e98fa74a0e78ab353