Publications

Westermayr J, Marquetand P. Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space. Journal of Chemical Physics. 2020 Oct 21;153(15):154112. doi: 10.1063/5.0021915

Papazek P, Schicker I, Plant C, Kann A, Wang Y. Feature selection, ensemble learning, and artificial neural Networks for Short-Range Wind Speed Forecasts. Meteorologische Zeitschrift. 2020 Oct 20;29(4):307-322. doi: 10.1127/metz/2020/1005

Sahann R, Plant C , Möller T. A Distance Metric for Sets of Events. In Webb G, Zhang Z, Tseng VS, Williams G, Vlachos M, Cao L, editors, 2020 IEEE 7TH INTERNATIONAL CONFERENCE ON DATA SCIENCE AND ADVANCED ANALYTICS (DSAA 2020). IEEE. 2020. p. 506-515 doi: https://doi.org/10.1109/DSAA49011.2020.00065

Knoll C, Çetin A, Möller T, Meyer M. Extending Recommendations for Creative Visualization-Opportunities Workshops. 2020. Paper presented at 2020 IEEE Workshop on Evaluation and Beyond - Methodological Approaches to Visualization (BELIV), Salt Lake City, Utah, United States. doi: 10.1109/BELIV51497.2020.00017

Markham A, Grosse-Wentrup M. Measurement Dependence Inducing Latent Causal Models. 2020. Paper presented at Conference on Uncertainty and Artificial Intelligence, Unknown. doi: https://doi.org/10.48550/arXiv.1910.08778

Westermayr J, Marquetand P. Machine learning and excited-state molecular dynamics. Machine Learning: Science and Technology. 2020 Sep 17;1(4):043001. doi: 10.1088/2632-2153/ab9c3e

Schelling B, Sluiter G, Plant C. RandomLink - Avoiding Linkage-Effects by employing Random Effects for Clustering. In Hartmann S, Küng J, Kotsis G, Khalil I, Tjoa AM, editors, Database and Expert Systems Applications. DEXA 2020: Proceedings, Part I. 1 ed. Vol. 12391. Cham: Springer International Publishing. 2020. p. 217-232. (Lecture Notes in Computer Science). doi: https://doi.org/10.1007/978-3-030-59003-1_15

Bomze IM , Schachinger W. Constructing Patterns of (Many) ESSs Under Support Size Control. Dynamic Games and Applications. 2020 Sep;10(3):618-640. Epub 2019 Aug 24. doi: 10.1007/s13235-019-00323-1

Hlavackova-Schindler K , Plant C. Graphical Granger Causality by Information-Theoretic Criteria. In De Giacomo G, Catala A, Dilkina B, Milano M, Barro S, Bugarin A, Lang J, editors, ECAI 2020: 24th European Conference on Artificial Intelligence, 29 August–8 September 2020, Santiago de Compostela, Spain – Including 10th Conference on Prestigious Applications of Artificial Intelligence (PAIS 2020). IOS Press. 2020. p. 1459-1466. (Frontiers in Artificial Intelligence and Applications, Vol. 325).

Schelling B, Miklautz L , Plant C. Non-linear Cluster Enhancement: Forcing Clusters into a compact shape. In De Giacomo G, editor, ECAI 2020 : 24th European Conference on Artificial Intelligence : 29 August-8 September 2020, Santiago De Compostela, Spain, including 10th Conference on Prestigious Applications of Artificial Intelligence (PAIS 2020) : proceedings: Part 2. Vol. 325. Amsterdam: IOS Press. 2020. p. 1451-1458. (Frontiers in Artificial Intelligence and Applications).

Mautz D, Ye W, Plant C, Böhm C. Non-Redundant Subspace Clusterings with Nr-Kmeans and Nr-DipMeans. ACM Transactions on Knowledge Discovery from Data. 2020 Aug;14(5):1-24. 55. doi: 10.1145/3385652

Kaufman B, Rozgonyi T, Marquetand P, Weinacht T. Coherent Control of Internal Conversion in Strong-Field Molecular Ionization. Physical Review Letters. 2020 Jul 29;125(5):053202. doi: 10.1103/PhysRevLett.125.053202

Molnar C, König G, Herbinger J, Freiesleben T, Dandl S, Scholbeck CA et al.. Pitfalls to Avoid when Interpreting Machine Learning Models. 2020. Paper presented at XXAI: Extending Explainable AI Beyond Deep Models and Classifiers, Wien, Austria. Epub 2020 Jul 8. doi: https://doi.org/10.48550/arXiv.2007.04131

Ratzenboeck S , Meingast S , Alves J , Moeller T , Bomze I. Extended stellar systems in the solar neighborhood IV. Meingast 1: the most massive stellar stream in the solar neighborhood. Astronomy & Astrophysics. 2020 Jul 7;639:A64. doi: 10.1051/0004-6361/202037591

Ratzenboeck S (Author), Meingast S (Author), Alves J (Author), Moeller T (Author), Bomze I (Author). VizieR Online Data Catalog: Extended Meingast 1 source catalogue (Ratzenboeck+, 2020) 2020.

Westermayr J, Gastegger M, Marquetand P. Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics. Journal of Physical Chemistry Letters. 2020 May 21;11(10):3828-3834. doi: 10.1021/acs.jpclett.0c00527

Westermayr J, Faber FA, Christensen AS, von Lilienfeld OA, Marquetand P. Neural networks and kernel ridge regression for excited states dynamics of CH₂NH₂⁺: From single-state to multi-state representations and multi-property machine learning models. Machine Learning: Science and Technology. 2020 May 19;1(2):025009. doi: 10.1088/2632-2153/ab88d0

Liu Y, Horton SL, Yang J, Nunes JPF, Shen X, Wolfe TJA et al. Spectroscopic and Structural Probing of Excited-State Molecular Dynamics with Time-Resolved Photoelectron Spectroscopy and Ultrafast Electron Diffraction. Physical Review X. 2020 Apr 22;10(2):021016. doi: 10.1103/PhysRevX.10.021016

Altinigneli MC, Bauer LGM, Behzadi S, Fritze R, Hlavackova-Schindler K, Leodolter M et al. The Data Mining Group at University of Vienna. Datenbank-Spektrum. 2020 Mar 1;20:71-79. doi: 10.1007/s13222-020-00337-9

Hautsch N, Herrera Leiva R. Multivariate Dynamic Intensity Peaks-Over-Threshold Models. Journal of Applied Econometrics. 2020 Mar;35(2):248-272. doi: 10.1002/jae.2741