Daniel Kuhn

37 papers A* 1B 1Journal 25Unranked 10
YearRankTypeTitle / Venue / Authors
2026 J jnl
Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design.
CoRR
Lisa Schneckenreiter, Sohvi Luukkonen, Lukas Friedrich, Daniel Kuhn, Günter Klambauer
2026 J jnl
Soft-Radial Projection for Constrained End-to-End Learning.
CoRR
Philipp J. Schneider, Daniel Kuhn
2025 J jnl
Data-driven federated learning in drug discovery with knowledge distillation.
Nat. Mac. Intell.
Thierry Hanser, Ernst Ahlberg, Alexander Amberg, Lennart T. Anger, Chris Barber, Richard J. Brennan, Alessandro Brigo, Annie Delaunois, Susanne Glowienke, Nigel Greene, Laura Johnston, Daniel Kuhn, Lara Kuhnke, Jean-François Marchaland, Wolfgang Muster, Jeffrey Plante, Friedrich Rippmann, Yogesh Sabnis, K. Friedemann Schmidt, Ruud van Deursen, Stéphane Werner, Angela White, Jörg Wichard, Tomoya Yukawa
2025 J jnl
Efficient Best-of-Both-Worlds Algorithms for Contextual Combinatorial Semi-Bandits.
CoRR
Mengmeng Li, Philipp Schneider, Jelisaveta Aleksic, Daniel Kuhn
2024 J jnl
AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS Platform.
J. Chem. Inf. Model.
Andrew Rusinko III, Mohammad A. Rezaei, Lukas Friedrich, Hans-Peter Buchstaller, Daniel Kuhn, Ashwini Ghogare
2024 — conf
ChatGPT Goes Shopping: LLMs Can Predict Relevance in eCommerce Search.
ECIR (4)
Beatriz Soviero, Daniel Kuhn, Alexandre Salle, Viviane Pereira Moreira
2024 — conf
Multi-Period Optimal Power Flow: Convex Relaxations and Parallel Algorithms.
ISGT EUROPE
Tianshu Yang, Daniel Kuhn, Gabriela Hug
2023 A* conf
Context-enriched molecule representations improve few-shot drug discovery.
ICLR
Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer
2023 J jnl
Context-enriched molecule representations improve few-shot drug discovery.
CoRR
Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer
2023 J jnl
Practical guidelines for the use of gradient boosting for molecular property prediction.
J. Cheminformatics
Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A. Sieber
2022 J jnl
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions.
J. Cheminformatics
Davide Boldini, Lukas Friedrich, Daniel Kuhn, Stephan A. Sieber
2020 J jnl
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
J. Chem. Inf. Model.
Christina E. M. Schindler, Hannah M. Baumann, Andreas Blum, Dietrich Böse, Hans-Peter Buchstaller, Lars Burgdorf, Daniel Cappel, Eugene Chekler, Paul Czodrowski, Dieter Dorsch, Merveille K. I. Eguida, Bruce Follows, Thomas Fuchß, Ulrich Grädler, Jakub Gunera, Theresa Johnson, Catherine Jorand Lebrun, Srinivasa Karra, Markus Klein, Tim Knehans, Lisa Koetzner, Mireille Krier, Matthias Leiendecker, Birgitta Leuthner, Liwei Li, Igor Mochalkin, Djordje Musil, Constantin Neagu, Friedrich Rippmann, Kai Schiemann, Robert Schulz, Thomas Steinbrecher, Eva-Maria Tanzer, Andrea Unzue Lopez, Ariele Viacava Follis, Ansgar Wegener, Daniel Kuhn
2019 J jnl
RLOC: Neurobiologically Inspired Hierarchical Reinforcement Learning Algorithm for Continuous Control of Nonlinear Dynamical Systems.
CoRR
Ekaterina Abramova, Luke Dickens, Daniel Kuhn, Aldo Faisal
2018 J jnl
Decision Rule Bounds for Two-Stage Stochastic Bilevel Programs.
SIAM J. Optim.
Ihsan Yanikoglu, Daniel Kuhn
2018 J jnl
Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP+.
J. Comput. Aided Mol. Des.
Christina E. M. Schindler, Friedrich Rippmann, Daniel Kuhn
2014 — conf
Calculating Software Projects on a Mockup based approach.
REFSQ Workshops
Axel Kalenborn, Daniel Kuhn, Fabian Lorig
2013 J jnl
A Polynomial-Time Solution Scheme for Quadratic Stochastic Programs.
J. Optim. Theory Appl.
Paula Rocha, Daniel Kuhn
2012 J jnl
Combining Global and Local Measures for Structure-Based Druggability Predictions.
J. Chem. Inf. Model.
Andrea Volkamer, Daniel Kuhn, Thomas Grombacher, Friedrich Rippmann, Matthias Rarey
2012 J jnl
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment.
Bioinform.
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, Matthias Rarey
2012 J jnl
Multistage stochastic portfolio optimisation in deregulated electricity markets using linear decision rules.
Eur. J. Oper. Res.
Paula Rocha, Daniel Kuhn
2012 J jnl
Optimal decision making under uncertainty.
Comput. Manag. Sci.
Ronald Hochreiter, Daniel Kuhn
2012 J jnl
Polynomial Approximations for Continuous Linear Programs.
SIAM J. Optim.
Dimitra Bampou, Daniel Kuhn
2011 — conf
A scenario approach for estimating the suboptimality of linear decision rules in two-stage robust optimization.
CDC/ECC
Michael J. Hadjiyiannis, Paul J. Goulart, Daniel Kuhn
2011 J jnl
An Efficient Method to Estimate the Suboptimality of Affine Controllers.
IEEE Trans. Autom. Control.
Michael J. Hadjiyiannis, Paul J. Goulart, Daniel Kuhn
2011 — conf
Combining Markov Decision Processes with Linear Optimal Controllers.
ICCSW
Ekaterina Abramova, Aldo Faisal, Daniel Kuhn
2011 J jnl
Preface.
Comput. Manag. Sci.
Daniel Kuhn
2011 — conf
Scenario-free stochastic programming with polynomial decision rules.
CDC/ECC
Dimitra Bampou, Daniel Kuhn
2009 J jnl
An Information-Based Approximation Scheme for Stochastic Optimization Problems in Continuous Time.
Math. Oper. Res.
Daniel Kuhn
2009 J jnl
Valuation of electricity swing options by multistage stochastic programming.
Autom.
Gido Haarbrücker, Daniel Kuhn
2008 J jnl
Aggregation and discretization in multistage stochastic programming.
Math. Program.
Daniel Kuhn
2007 B conf
Graph Alignment: Fuzzy Pattern Mining for the Structural Analysis of Protein Active Sites.
FUZZ-IEEE
Eyke Hüllermeier, Nils Weskamp, Gerhard Klebe, Daniel Kuhn
2007 J jnl
Multiple Graph Alignment for the Structural Analysis of Protein Active Sites.
IEEE ACM Trans. Comput. Biol. Bioinform.
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe
2004 J jnl
Efficient similarity search in protein structure databases by k-clique hashing.
Bioinform.
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe
2004 — conf
Graph Alignments: A New Concept to Detect Conserved Regions in Protein Active Sites.
German Conference on Bioinformatics
Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe
2003 — conf
Efficient Similarity Search in Protein Structure Databases: Improving Cliqae-Detection through Clique Hashing.
German Conference on Bioinformatics
Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe
1995 — conf
Neural approach to visual servoing for robotic hand eye coordination.
ICNN
Daniel Kuhn, Jean-Luc Buessler, Jean-Philippe Urban
1994 — conf
A Transputer-Based Visually-Guided Robot System Using Neuro-Control.
HPCN
Stefan Hagmann, Hubert Kihl, Daniel Kuhn, Jean-Philippe Urban