@misc{HaslerAmrheinKlindtetal.2017, author = {Hasler, Tim and Amrhein, Kilian and Klindt, Marco and Oltmanns, Elias and Peters-Kottig, Wolfgang}, title = {Backup ist KEINE Langzeitverf{\"u}gbarkeit}, doi = {10.12752/9954}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-99548}, year = {2017}, abstract = {Diese Handreichung im Flyerformat soll mit den verschiedenen Missverst{\"a}ndnissen aufr{\"a}umen, die einem im Alltag begegnen, wenn man es mit digitaler Langzeitverf{\"u}gbarkeit zu tun hat.}, language = {de} } @article{DonatiHartmannKeller2017, author = {Donati, Luca and Hartmann, Carsten and Keller, Bettina G.}, title = {Girsanov reweighting for path ensembles and Markov state models}, volume = {146}, journal = {The Journal of Chemical Physics}, number = {24}, doi = {10.1063/1.4989474}, pages = {244112}, year = {2017}, abstract = {The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.}, language = {en} } @masterthesis{Loebel2017, type = {Bachelor Thesis}, author = {L{\"o}bel, Fabian}, title = {Solving Integrated Timetabling and Passenger Routing Problems Using the Modulo Network Simplex Algorithm}, year = {2017}, abstract = {Common models and solving approaches for the problem of periodic timetabling, that is, determining periodic arrival and departure times of a given public transportation network's lines so that the total weighted travel time of all passengers is minimized, fail to take passenger behavior into account. Current research is attempting to resolve this issue and first results show a positive impact on solution quality. This thesis aims to give a brief overview of literature on the topic of timetabling and to then state a heuristic approach to Integrated Timetabling by blending passenger behavior into the Modulo Network Simplex algorithm, which is part of the research carried out by the author's study group at the Zuse Institut Berlin in the framework of MATHEON's research project MI-3 supported by the Einstein Foundation Berlin.}, language = {en} } @inproceedings{RoyXuPokutta2017, author = {Roy, Aurko and Xu, Huan and Pokutta, Sebastian}, title = {Reinforcement Learning under Model Mismatch}, booktitle = {Proceedings of NIPS}, arxiv = {http://arxiv.org/abs/1706.04711}, year = {2017}, language = {en} } @inproceedings{BaermannPokuttaSchneider2017, author = {B{\"a}rmann, Andreas and Pokutta, Sebastian and Schneider, Oskar}, title = {Emulating the Expert: Inverse Optimization through Online Learning}, booktitle = {Proceedings of the International Conference on Machine Learning (ICML)}, arxiv = {http://arxiv.org/abs/1810.12997}, year = {2017}, language = {en} } @inproceedings{BraunPokuttaZink2017, author = {Braun, G{\´a}bor and Pokutta, Sebastian and Zink, Daniel}, title = {Lazifying Conditional Gradient Algorithms}, booktitle = {Proceedings of the International Conference on Machine Learning (ICML)}, arxiv = {http://arxiv.org/abs/1610.05120}, year = {2017}, language = {en} } @inproceedings{ArumugamKadampotTahmasbietal.2017, author = {Arumugam, Keerthi Suria Kumar and Kadampot, Ishaque Ashar and Tahmasbi, Mehrdad and Shah, Shaswat and Bloch, Matthieu and Pokutta, Sebastian}, title = {Modulation Recognition Using Side Information and Hybrid Learning}, booktitle = {Proceedings of IEEE DySPAN}, year = {2017}, language = {en} } @inproceedings{LanPokuttaZhouetal.2017, author = {Lan, G. and Pokutta, Sebastian and Zhou, Y. and Zink, Daniel}, title = {Conditional Accelerated Lazy Stochastic Gradient Descent}, booktitle = {Proceedings of the International Conference on Machine Learning (ICML)}, arxiv = {http://arxiv.org/abs/1703.05840}, year = {2017}, language = {en} } @article{RoyPokutta2017, author = {Roy, Aurko and Pokutta, Sebastian}, title = {Hierarchical Clustering via Spreading Metrics}, volume = {18}, journal = {Journal of Machine Learning Research (JMLR)}, arxiv = {http://arxiv.org/abs/1610.09269}, pages = {1 -- 35}, year = {2017}, language = {en} } @article{BodurDel PiaDeyetal.2017, author = {Bodur, Merve and Del Pia, Alberto and Dey, Santanu Sabush and Molinaro, Marco and Pokutta, Sebastian}, title = {Aggregation-based cutting-planes for packing and covering Integer Programs}, journal = {to appear in Mathematical Programming A}, arxiv = {http://arxiv.org/abs/1606.08951}, year = {2017}, language = {en} } @article{BazziFioriniPokuttaetal.2017, author = {Bazzi, Abbas and Fiorini, Samuel and Pokutta, Sebastian and Svensson, Ola}, title = {Small linear programs cannot approximate Vertex Cover within a factor of 2 - epsilon}, journal = {to appear in Mathematics of Operations Research}, arxiv = {http://arxiv.org/abs/1503.00753}, year = {2017}, language = {en} } @article{BraunGuzmanPokutta2017, author = {Braun, G{\´a}bor and Guzm{\´a}n, C. and Pokutta, Sebastian}, title = {Unifying Lower Bounds on the Oracle Complexity of Nonsmooth Convex Optimization}, volume = {63}, journal = {IEEE Transactions of Information Theory}, number = {7}, arxiv = {http://arxiv.org/abs/1407.5144}, pages = {4709 -- 4724}, year = {2017}, language = {en} } @article{BraunJainLeeetal.2017, author = {Braun, G{\´a}bor and Jain, R. and Lee, T. and Pokutta, Sebastian}, title = {Information-theoretic approximations of the nonnegative rank}, volume = {26}, journal = {Computational Complexity}, number = {1}, pages = {147 -- 197}, year = {2017}, language = {en} } @article{ChristensenKhanPokuttaetal.2017, author = {Christensen, H. and Khan, A. and Pokutta, Sebastian and Tetali, P.}, title = {Multidimensional Bin Packing and Other Related Problems: A survey}, journal = {to appear in Computer Science Review}, year = {2017}, language = {en} } @article{MartinMuellerPapeetal.2017, author = {Martin, Alex and M{\"u}ller, J. and Pape, S. and Peter, A. and Pokutta, Sebastian and Winter, T.}, title = {Pricing and clearing combinatorial markets with singleton and swap orders}, volume = {85}, journal = {Mathematical Methods of Operations Research}, number = {2}, arxiv = {http://arxiv.org/abs/1404.6546}, pages = {155 -- 177}, year = {2017}, language = {en} } @article{KnuevenOstrowskiPokutta2017, author = {Knueven, B. and Ostrowski, J. and Pokutta, Sebastian}, title = {Detecting Almost Symmetries in Graphs}, journal = {to appear in Mathematical Programming C}, year = {2017}, language = {en} } @article{BraunBrownCohenHuqetal.2017, author = {Braun, G{\´a}bor and Brown-Cohen, Jonah and Huq, Arefin and Pokutta, Sebastian and Raghavendra, Prasad and Weitz, Benjamin and Zink, Daniel}, title = {The matching problem has no small symmetric SDP}, volume = {165}, journal = {Mathematical Programming A}, number = {2}, arxiv = {http://arxiv.org/abs/1504.00703}, pages = {643 -- 662}, year = {2017}, language = {en} } @misc{ChristofConradRempelDegkwitzetal.2017, author = {Christof, J{\"u}rgen and Conrad-Rempel, Steffi and Degkwitz, Andreas and Goltz-Fellgiebel, Julia Alexandra and Happel, Hans-Gerd and Hasler, Tim and Heiss, Alexandra and Kaminsky, Uta and Kant, Oliver and Kende, Jiř{\´i} and Koch, Thorsten and Kuberek, Monika and Lohrum, Stefan and M{\"u}ller, Anja and Mutter, Moritz and Peters-Kottig, Wolfgang and Quitzsch, Nicole and Rusch, Beate and Schwidder, Jens and Stanek, Ursula and Weihe, Signe and Zeyns, Andrea}, title = {KOBV Jahresbericht 2015-2016}, volume = {2015-2016}, number = {2015-2016}, organization = {Kooperativer Bibliotheksverbund Berlin-Brandenburg (KOBV)}, issn = {0934-5892}, pages = {1 -- 64}, year = {2017}, abstract = {Der KOBV-Jahresbericht informiert r{\"u}ckblickend im 2-Jahres-Rhythmus {\"u}ber die bibliothekarisch-fachlichen Entwicklungen im Verbund und die Projekte des Kooperativen Bibliotheksverbunds Berlin-Brandenburg (KOBV).}, language = {de} } @article{BernalVigerskeTrespalaciosetal.2017, author = {Bernal, David E. and Vigerske, Stefan and Trespalacios, Francisco and Grossmann, Ignacio E.}, title = {Improving the performance of DICOPT in convex MINLP problems using a feasibility pump}, journal = {Optimization Methods and Software}, year = {2017}, abstract = {The solver DICOPT is based on an outer-approximation algorithm used for solving mixed- integer nonlinear programming (MINLP) problems. This algorithm is very effective for solving some types of convex MINLPs. However, there are certain problems that are diffcult to solve with this algorithm. One of these problems is when the nonlinear constraints are so restrictive that the nonlinear subproblems produced by the algorithm are infeasible. This problem is addressed in this paper with a feasibility pump algorithm, which modifies the objective function in order to efficiently find feasible solutions. It has been implemented as a preprocessing algorithm for DICOPT. Computational comparisons with previous versions of DICOPT and other MINLP solvers on a set of convex MINLPs demonstrate the effectiveness of the proposed algorithm in terms of solution quality and solving time.}, language = {en} } @misc{SakuraiHegeKuhnetal.2017, author = {Sakurai, Daisuke and Hege, Hans-Christian and Kuhn, Alexander and Rust, Henning and Kern, Bastian and Breitkopf, Tom-Lukas}, title = {An Application-Oriented Framework for Feature Tracking in Atmospheric Sciences}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-72617}, year = {2017}, abstract = {In atmospheric sciences, sizes of data sets grow continuously due to increasing resolutions. A central task is the comparison of spatiotemporal fields, to assess different simulations and to compare simulations with observations. A significant information reduction is possible by focusing on geometric-topological features of the fields or on derived meteorological objects. Due to the huge size of the data sets, spatial features have to be extracted in time slices and traced over time. Fields with chaotic component, i.e. without 1:1 spatiotemporal correspondences, can be compared by looking upon statistics of feature properties. Feature extraction, however, requires a clear mathematical definition of the features - which many meteorological objects still lack. Traditionally, object extractions are often heuristic, defined only by implemented algorithms, and thus are not comparable. This work surveys our framework designed for efficient development of feature tracking methods and for testing new feature definitions. The framework supports well-established visualization practices and is being used by atmospheric researchers to diagnose and compare data.}, language = {en} }