@article{GrotendorstSchoberthChapmanetal.1996, author = {Grotendorst, Johannes and Schoberth, S. M. and Chapman, B. E. and Kuchel, P. W.}, title = {Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer / Schoberth, S. M. ; Chapman, B. E. ; Kuchel, P. W. ; Wittig, R. M. ; Grotendorst, Johannes ; Jansen, Paul ; Graaf, A. A. de}, series = {Journal of Bacteriology. 178 (1996), H. 6}, journal = {Journal of Bacteriology. 178 (1996), H. 6}, isbn = {0021-9193}, pages = {1756 -- 1761}, year = {1996}, language = {en} } @article{GrotendorstKlessEitrich2004, author = {Grotendorst, Johannes and Kless, A. and Eitrich, T.}, title = {Data Mining in F \& E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J.}, series = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2}, journal = {BioWorld: Magazin f{\"u}r Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2}, isbn = {1424-8514}, pages = {22 -- 23}, year = {2004}, language = {en} } @article{GrotendorstKlessDickhausetal.2004, author = {Grotendorst, Johannes and Kless, A. and Dickhaus, T. and Meyer, W.}, title = {Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J.}, series = {LITUS - Laboratory IT User Service. 1 (2004)}, journal = {LITUS - Laboratory IT User Service. 1 (2004)}, pages = {20 -- 21}, year = {2004}, language = {en} } @article{GrotendorstJansenSchoberth1993, author = {Grotendorst, Johannes and Jansen, Paul and Schoberth, Siegfried}, title = {On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried}, series = {MapleTech. 1 (1993)}, journal = {MapleTech. 1 (1993)}, isbn = {1061-5733}, pages = {56 -- 62}, year = {1993}, language = {en} } @article{GrotendorstEitrichKlessetal.2007, author = {Grotendorst, Johannes and Eitrich, T. and Kless, A. and Druska, C.}, title = {Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J.}, series = {Journal of Chemical Information and Modeling. 47 (2007), H. 1}, journal = {Journal of Chemical Information and Modeling. 47 (2007), H. 1}, isbn = {1549-9596}, pages = {92 -- 103}, year = {2007}, language = {en} } @article{GrotendorstDornseiffer2000, author = {Grotendorst, Johannes and Dornseiffer, J{\"u}rgen}, title = {Computer-aided Modelling and Simulation of the Thermodynamics of Steam Reforming / Grotendorst, Johannes ; Dornseiffer, J{\"u}rgen}, series = {Mathematics and Computers in Simulation. 51 (2000), H. 5}, journal = {Mathematics and Computers in Simulation. 51 (2000), H. 5}, isbn = {0378-4754}, pages = {451 -- 471}, year = {2000}, language = {en} } @article{Grotendorst2012, author = {Grotendorst, Johannes}, title = {Supercomputer programmieren - ein besonderes Studienangebot in J{\"u}lich}, series = {Junge Wissenschaft. 27 (2012), H. 94}, journal = {Junge Wissenschaft. 27 (2012), H. 94}, publisher = {-}, isbn = {0179-8529}, pages = {12 -- 14}, year = {2012}, language = {de} } @article{Grotendorst2012, author = {Grotendorst, Johannes}, title = {IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems}, series = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, journal = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, publisher = {-}, pages = {104}, year = {2012}, language = {en} } @article{Grotendorst2011, author = {Grotendorst, Johannes}, title = {On calculating the rate of linear convergence of non-linear transformed sequences}, series = {Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation}, journal = {Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation}, publisher = {ACM}, address = {New York, NY}, isbn = {978-1-4503-0515-0}, pages = {24 -- 33}, year = {2011}, language = {en} } @article{Grotendorst1991, author = {Grotendorst, Johannes}, title = {Maple programs for converting series expansions to rational functions using the Levin transformation automatic generation of FORTRAN functions for numerical applications}, series = {Computer Physics Communications. 55 (1991), H. 3}, journal = {Computer Physics Communications. 55 (1991), H. 3}, isbn = {0010-4655}, pages = {325 -- 335}, year = {1991}, language = {en} } @article{Grotendorst1992, author = {Grotendorst, Johannes}, title = {Algorithms of mixed symbolic-numeric type for rational approximation}, series = {Artificial intelligence, expert systems and symbolic computing : selected and revised papers from the IMACS 13th World Congress [on Computation and Applied Mathematics], Dublin, Ireland, July 1991 / ed. by Elias N. Houstis ...}, journal = {Artificial intelligence, expert systems and symbolic computing : selected and revised papers from the IMACS 13th World Congress [on Computation and Applied Mathematics], Dublin, Ireland, July 1991 / ed. by Elias N. Houstis ...}, publisher = {North-Holland}, address = {Amsterdam}, isbn = {0-444-89703-8}, pages = {145 -- 154}, year = {1992}, language = {en} } @article{Grotendorst1991, author = {Grotendorst, Johannes}, title = {A Maple package for transforming series, sequences and functions}, series = {Computer Physics Communications. 67 (1991), H. 2}, journal = {Computer Physics Communications. 67 (1991), H. 2}, isbn = {0010-4655}, pages = {325 -- 342}, year = {1991}, language = {en} } @article{Grotendorst1990, author = {Grotendorst, Johannes}, title = {Approximating functions by means of symbolic computation and a general extrapolation method}, series = {Computer Physics Communications. 59 (1990), H. 2}, journal = {Computer Physics Communications. 59 (1990), H. 2}, isbn = {0010-4655}, pages = {289 -- 301}, year = {1990}, language = {en} } @article{GrinsvenVandenBonGrietenetal.2011, author = {Grinsven, Bart van and Vanden Bon, Natalie and Grieten, Lars and Murib, Mohammed Sharif and Janssen, Stoffel Dominique and Haenen, Ken and Schneider, E. and Ingebrandt, Sven and Sch{\"o}ning, Michael Josef and Vermeeren, Veronique and Ameloot, Marcel and Michiels, Luc and Thoelen, Ronald and De Ceuninck, Ward A. and Wagner, Patrick}, title = {Rapid assessment of the stability of DNA duplexes by impedimetric real-time monitoring of chemically induced denaturation}, series = {Lab on a Chip}, volume = {11}, journal = {Lab on a Chip}, number = {9}, publisher = {Royal Society of Chemistry (RSC)}, address = {Cambridge}, isbn = {1473-0197}, pages = {1656 -- 1663}, year = {2011}, language = {en} } @article{GrinsvenBonStrauvenetal.2012, author = {Grinsven, Bart van and Bon, Natalie vanden and Strauven, Hannelore and Grieten, Lars and Murib, Mohammed and Jim{\´e}nez Monroy, Kathia L. and Janssens, Stoffel D. and Haenen, Ken and Sch{\"o}ning, Michael Josef and Vermeeren, Veronique and Ameloot, Marcel and Michiels, Luc and Thoelen, Ronald and Ceuninck, Ward de and Wagner, Patrick}, title = {Heat-Transfer Resistance at Solid-Liquid Interfaces: A Tool for The Detection of Single Nucleotide Polymorphisms in DNA.}, series = {ACS Nano}, volume = {6}, journal = {ACS Nano}, number = {3}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {1936-086X}, doi = {10.1021/nn300147e}, pages = {2712 -- 2721}, year = {2012}, abstract = {In this article, we report on the heat-transfer resistance at interfaces as a novel, denaturation-based method to detect single-nucleotide polymorphisms in DNA. We observed that a molecular brush of double-stranded DNA grafted onto synthetic diamond surfaces does not notably affect the heat-transfer resistance at the solid-to-liquid interface. In contrast to this, molecular brushes of single-stranded DNA cause, surprisingly, a substantially higher heat-transfer resistance and behave like a thermally insulating layer. This effect can be utilized to identify ds-DNA melting temperatures via the switching from low- to high heat-transfer resistance. The melting temperatures identified with this method for different DNA duplexes (29 base pairs without and with built-in mutations) correlate nicely with data calculated by modeling. The method is fast, label-free (without the need for fluorescent or radioactive markers), allows for repetitive measurements, and can also be extended toward array formats. Reference measurements by confocal fluorescence microscopy and impedance spectroscopy confirm that the switching of heat-transfer resistance upon denaturation is indeed related to the thermal on-chip denaturation of DNA.}, language = {en} } @article{GriessmeierSonnenbergWeckesseretal.1996, author = {Grießmeier, M. and Sonnenberg, F. and Weckesser, M. and Ziemons, Karl and Langen, K.-J. and M{\"u}ller-G{\"a}rtner, H. W.}, title = {Improvement of SPECT quantification in small brain structures by using experiment based recovery-coefficient corrections}, series = {European Journal of Nuclear Medicine}, volume = {23}, journal = {European Journal of Nuclear Medicine}, number = {9}, issn = {1619-7089}, pages = {1238 -- 1238}, year = {1996}, language = {en} } @article{GriegerSchwabedalWendeletal.2021, author = {Grieger, Niklas and Schwabedal, Justus T. C. and Wendel, Stefanie and Ritze, Yvonne and Bialonski, Stephan}, title = {Automated scoring of pre-REM sleep in mice with deep learning}, series = {Scientific Reports}, volume = {11}, journal = {Scientific Reports}, number = {Art. 12245}, publisher = {Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-021-91286-0}, year = {2021}, abstract = {Reliable automation of the labor-intensive manual task of scoring animal sleep can facilitate the analysis of long-term sleep studies. In recent years, deep-learning-based systems, which learn optimal features from the data, increased scoring accuracies for the classical sleep stages of Wake, REM, and Non-REM. Meanwhile, it has been recognized that the statistics of transitional stages such as pre-REM, found between Non-REM and REM, may hold additional insight into the physiology of sleep and are now under vivid investigation. We propose a classification system based on a simple neural network architecture that scores the classical stages as well as pre-REM sleep in mice. When restricted to the classical stages, the optimized network showed state-of-the-art classification performance with an out-of-sample F1 score of 0.95 in male C57BL/6J mice. When unrestricted, the network showed lower F1 scores on pre-REM (0.5) compared to the classical stages. The result is comparable to previous attempts to score transitional stages in other species such as transition sleep in rats or N1 sleep in humans. Nevertheless, we observed that the sequence of predictions including pre-REM typically transitioned from Non-REM to REM reflecting sleep dynamics observed by human scorers. Our findings provide further evidence for the difficulty of scoring transitional sleep stages, likely because such stages of sleep are under-represented in typical data sets or show large inter-scorer variability. We further provide our source code and an online platform to run predictions with our trained network.}, language = {en} } @article{GrajewskiKoesterTurek2009, author = {Grajewski, Matthias and K{\"o}ster, Michael and Turek, Stefan}, title = {Mathematical and Numerical Analysis of a Robust and Efficient Grid Deformation Method in the Finite Element Context}, series = {SIAM Journal on Scientific Computing}, volume = {31}, journal = {SIAM Journal on Scientific Computing}, number = {2}, publisher = {Society for Industrial and Applied Mathematics}, address = {Philadelphia, Pa.}, doi = {10.1137/050639387}, pages = {1539 -- 1557}, year = {2009}, language = {en} } @article{GrajewskiKoesterTurek2010, author = {Grajewski, Matthias and K{\"o}ster, Michael and Turek, Stefam}, title = {Numerical analysis and implementational aspects of a new multilevel grid deformation method}, series = {Applied Numerical Mathematics}, volume = {60}, journal = {Applied Numerical Mathematics}, number = {8}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0168-9274}, doi = {10.1016/j.apnum.2010.03.017}, pages = {767 -- 781}, year = {2010}, abstract = {Recently, we introduced and mathematically analysed a new method for grid deformation (Grajewski et al., 2009) [15] we call basic deformation method (BDM) here. It generalises the method proposed by Liao et al. (Bochev et al., 1996; Cai et al., 2004; Liao and Anderson, 1992) [4], [6], [20]. In this article, we employ the BDM as core of a new multilevel deformation method (MDM) which leads to vast improvements regarding robustness, accuracy and speed. We achieve this by splitting up the deformation process in a sequence of easier subproblems and by exploiting grid hierarchy. Being of optimal asymptotic complexity, we experience speed-ups up to a factor of 15 in our test cases compared to the BDM. This gives our MDM the potential for tackling large grids and time-dependent problems, where possibly the grid must be dynamically deformed once per time step according to the user's needs. Moreover, we elaborate on implementational aspects, in particular efficient grid searching, which is a key ingredient of the BDM.}, language = {en} } @article{GrajewskiKleefeld2023, author = {Grajewski, Matthias and Kleefeld, Andreas}, title = {Detecting and approximating decision boundaries in low-dimensional spaces}, series = {Numerical Algorithms}, volume = {93}, journal = {Numerical Algorithms}, number = {4}, publisher = {Springer Science+Business Media}, address = {Dordrecht}, issn = {1572-9265}, pages = {35 Seiten}, year = {2023}, abstract = {A method for detecting and approximating fault lines or surfaces, respectively, or decision curves in two and three dimensions with guaranteed accuracy is presented. Reformulated as a classification problem, our method starts from a set of scattered points along with the corresponding classification algorithm to construct a representation of a decision curve by points with prescribed maximal distance to the true decision curve. Hereby, our algorithm ensures that the representing point set covers the decision curve in its entire extent and features local refinement based on the geometric properties of the decision curve. We demonstrate applications of our method to problems related to the detection of faults, to multi-criteria decision aid and, in combination with Kirsch's factorization method, to solving an inverse acoustic scattering problem. In all applications we considered in this work, our method requires significantly less pointwise classifications than previously employed algorithms.}, language = {en} }