Matthias Rupp

Publication Activity (10 Years)

Years Active: 2007-2024
Publications (10 Years): 12

Top Topics

Code Generation

Kernel Ridge Regression

Machine Learning

Top Venues

Mach. Learn. Sci. Technol.

Publications

Simon Rädler, Matthias Rupp, Eugen Rigger, Stefanie Rinderle-Ma
Model-Driven Engineering for Machine Learning Code Generation using SysML. Modellierung (2024)
Matthias Rupp, Jonathan Schröter, Stefan Wallentowitz
Accelerating WebAssembly Interpreters in Embedded Systems Through Hardware-Assisted Dispatching. ARCS (2024)
Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp
Heat flux for semi-local machine-learning potentials. CoRR (2023)
Matthias Rupp, Lars Wischhof
Evaluation of the Effectiveness of Vulnerable Road User Clustering in C-V2X Systems. COINS (2023)
Simon Rädler, Matthias Rupp, Eugen Rigger, Stefanie Rinderle-Ma
Code Generation for Machine Learning using Model-Driven Engineering and SysML. CoRR (2023)
Lars Wischhof, Maximilian Kilian, Stefan Schuhbäck, Matthias Rupp, Gerta Köster
Mobility in pedestrian communication simulations: Impact of microscopic models and solutions for integration. Comput. Commun. 212 (2023)
Haoyan Huo, Matthias Rupp
Unified representation of molecules and crystals for machine learning. Mach. Learn. Sci. Technol. 3 (4) (2022)
Matthias Rupp, Lars Wischhof
Prioritization for Latency Reduction in 5G MEC-Based VRU Protection Systems. WiMob (2022)
Matthias Rupp, Stefan Schuhbäck, Lars Wischhof
Coupling Microscopic Mobility and Mobile Network Emulation for Pedestrian Communication Applications. CoRR (2021)
Marcel F. Langer, Alex Goeßmann, Matthias Rupp
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. CoRR (2020)
Zachary del Rosario, Yoolhee Kim, Matthias Rupp, Erin Antono, Julia Ling
Assessing the Frontier: Active Learning, Model Accuracy, and Multi-objective Materials Discovery and Optimization. CoRR (2019)
Tobias Törnros, Bernd Resch, Matthias Rupp, Hartmut Gündra
Geospatial Analysis of the Building Heat Demand and Distribution Losses in a District Heating Network. ISPRS Int. J. Geo Inf. 5 (12) (2016)
Kevin Vu, John C. Snyder, Li Li, Matthias Rupp, Brandon F. Chen, Tarek Khelif, Klaus-Robert Müller, Kieron Burke
Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals. CoRR (2015)
Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider
Machine Learning Estimates of Natural Product Conformational Energies. PLoS Comput. Biol. 10 (1) (2014)
Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Müller, Kieron Burke
Understanding Machine-learned Density Functionals. CoRR (2014)
Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O. Anatole von Lilienfeld
Modeling of molecular atomization energies using machine learning. J. Cheminformatics 4 (S-1) (2012)
Grigorios Skolidis, Katja Hansen, Guido Sanguinetti, Matthias Rupp
Multi-task learning for pKa prediction. J. Comput. Aided Mol. Des. 26 (7) (2012)
Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, O. Anatole von Lilienfeld, Klaus-Robert Müller
Learning Invariant Representations of Molecules for Atomization Energy Prediction. NIPS (2012)
Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, Gisbert Schneider
Design of Bioactive Compounds. PLoS Comput. Biol. 8 (2) (2012)
Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3 (S-1) (2011)
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25 (6) (2011)
John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke
Finding Density Functionals with Machine Learning CoRR (2011)
Matthias Rupp
Graph kernels for chemoinformatics - a critical discussion. J. Cheminformatics 3 (S-1) (2011)
Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Volodymyr V. Prokopenko, Igor V. Tetko
OCHEM - on-line CHEmical database & modeling environment. J. Cheminformatics 2 (S-1) (2010)
Volker Hähnke, Matthias Rupp, Mireille Krier, Friedrich Rippmann, Gisbert Schneider
Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching. J. Comput. Chem. 31 (15) (2010)
Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider
Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist. J. Cheminformatics 2 (S-1) (2010)
Matthias Rupp, Petra Schneider, Gisbert Schneider
Distance phenomena in high-dimensional chemical descriptor spaces: Consequences for similarity-based approaches. J. Comput. Chem. 30 (14) (2009)
Ewgenij Proschak, Matthias Rupp, Swetlana Derksen, Gisbert Schneider
Shapelets: Possibilities and limitations of shape-based virtual screening. J. Comput. Chem. 29 (1) (2008)
Matthias Rupp, Ewgenij Proschak, Gisbert Schneider
Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity. J. Chem. Inf. Model. 47 (6) (2007)