2 citations · 2 across the 6 of their papers we have counts for
11 papers · 1 filter
TiRex-2: Generalizing TiRex to Multivariate Data and Streaming
Patrick Podest, Marco Pichler, Elias Bürger +7
We introduce TiRex-2, a recurrent xLSTM-based time series foundation model that generalizes the univariate TiRex to multivariate forecasting with both past and future covariates. R…
Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
Lisa Schneckenreiter, Sohvi Luukkonen, Lukas Friedrich +2
Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this w…
MolecularIQ: Characterizing Chemical Reasoning Capabilities Through Symbolic Verification on Molecular Graphs
Christoph Bartmann, Johannes Schimunek, Mykyta Ielanskyi +3
A molecule's properties are fundamentally determined by its composition and structure encoded in its molecular graph. Thus, reasoning about molecular properties requires the abilit…
LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities
Florian Sestak, Artur Toshev, Andreas Fürst +3
Generative models are spearheading recent progress in deep learning, showcasing strong promise for trajectory sampling in dynamical systems as well. However, whereas latent space m…
Measuring AI Progress in Drug Discovery: A Reproducible Leaderboard for the Tox21 Challenge
Antonia Ebner, Christoph Bartmann, Sonja Topf +3
Deep learning's rise since the early 2010s has transformed fields like computer vision and natural language processing and strongly influenced biomedical research. For drug discove…
TiRex: Zero-Shot Forecasting Across Long and Short Horizons with Enhanced In-Context Learning
Andreas Auer, Patrick Podest, Daniel Klotz +3
In-context learning, the ability of large language models to perform tasks using only examples provided in the prompt, has recently been adapted for time series forecasting. This p…