ZIB

1

Electronic Resource

A measurement of τ polarization in Z^0 decays (1992-8977)

L3 Collaboration

Amsterdam : Elsevier

Physics Letters B 294 (1992), S. 466-478

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ISSN: 0370-2693

Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002

Topics: Physics

Type of Medium: Electronic Resource

URL: http://linkinghub.elsevier.com/retrieve/pii/0370-2693(92)91549-O

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2

Electronic Resource

Measurement of the average lifetime of b hadrons (1993-4325)

L3 Collaboration

Amsterdam : Elsevier

Physics Letters B 317 (1993), S. 474-484

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ISSN: 0370-2693

Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002

Topics: Physics

Type of Medium: Electronic Resource

URL: http://linkinghub.elsevier.com/retrieve/pii/0370-2693(93)91027-K

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3

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Scheduling data streams for low latency and high throughput on a Cray XC40 using Libfabric (2020)

Salem, Farouk ; Schintke, Florian ; Schütt, Thorsten ; [et al.]

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Publication Date: 2023-01-06

Language: English

Type: article , doc-type:article

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4

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Handling Compute-Node Failures in FLESnet (2020)

Salem, Farouk ; Schintke, Florian ; Reinefeld, Alexander

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Publication Date: 2023-01-06

Language: English

Type: article , doc-type:article

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5

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Outline of an archiving strategy for digital audiovisual material (2020)

Oltmanns, Elias ; Hasler, Tim

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Publication Date: 2023-02-03

Description: This is the documentation on current results of a research project jointly conducted by Stiftung Deutsche Kinemathek (SDK) and Zuse Institute Berlin (ZIB). In this project, we are working on a practical yet sustainable archiving solution for audiovisual material. In the course of the project two major obstacles were identified: 1) Metadata is collected according to standards established in the community but lacking a prescribed serialisation format. 2) Storage size of audiovisual material and time scales of production processes make it often impractical to defer submission for archival storage until all components have arrived and can be processed in one go.

Language: English

Type: reportzib , doc-type:preprint

Format: application/pdf

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6

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Kulturelles Erbe digital – eine kleine Rechtsfibel (2020)

Klimpel, Paul (Dr.)

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Publication Date: 2023-02-03

Description: Kunst- und Kulturinstitutionen beschäftigen sich zunehmend mit der Digitalisierung ihrer Sammlungen, auch und gerade im Angesicht der Pandemie 2020. Dabei spielen nicht nur technische und organisatorische Fragen eine Rolle, vor allem rechtliche Aspekte führen oft zu Unsicherheit bei der digitalen Zugänglichmachung der Daten. Um diesen Unsicherheiten kompakt zu begegnen, gibt digiS die "Rechtsfibel" in Zusammenarbeit mit iRights und Paul Klimpel als Autor heraus. Darin werden unter anderem konkrete Fragen des Urheberrechts zu verschiedenen Objektgattungen, Lizenzfragen, Persönlichkeitsrecht und Datenschutz, die Online-Präsentation von Digitalisaten und zur Archivierung behandelt. Die Handreichung soll Mitarbeiter*innen in Kultur(-erbe)einrichtungen ermutigen, sich mit den rechtlichen Fragen bei der Digitalisierung auseinanderzusetzen, indem sie die vielen Facetten dieses Bereichs verständlich darstellt.

Language: German

Type: other , doc-type:Other

Format: application/pdf

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7

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Day-ahead high-resolution forecasting of natural gas demand and supply in Germany with a hybrid model (2020)

Chen, Ying ; Xu, Xiuqin ; Koch, Thorsten (Prof. Dr.)

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Publication Date: 2023-03-20

Description: As the natural gas market is moving towards short-term planning, accurate and robust short-term forecasts of the demand and supply of natural gas is of fundamental importance for a stable energy supply, a natural gas control schedule, and transport operation on a daily basis. We propose a hybrid forecast model, Functional AutoRegressive and Convolutional Neural Network model, based on state-of-the-art statistical modeling and artificial neural networks. We conduct short-term forecasting of the hourly natural gas flows of 92 distribution nodes in the German high-pressure gas pipeline network, showing that the proposed model provides nice and stable accuracy for different types of nodes. It outperforms all the alternative models, with an improved relative accuracy up to twofold for plant nodes and up to fourfold for municipal nodes. For the border nodes with rather flat gas flows, it has an accuracy that is comparable to the best performing alternative model.

Language: English

Type: article , doc-type:article

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8

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Effect of choice of solvent on crystallization pathway of Paracetamol: An experimental and theoretical case study (2020)

Chewle, Surahit ; Emmerling, Franziska ; Weber, Marcus

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Publication Date: 2023-03-20

Description: The choice of solvents influences crystalline solid formed during the crystallization of active pharmaceutical ingredients (API). The underlying effects are not always well understood because of the complexity of the systems. Theoretical models are often insufficient to describe this phenomenon. In this study, the crystallization behavior of the model drug paracetamol in different solvents was studied based on experimental and molecular dynamics data. The crystallization process was followed in situ using time-resolved Raman spectroscopy. Molecular dynamics with simulated annealing algorithm was used for an atomistic understanding of the underlying processes. The experimental and theoretical data indicate that paracetamol molecules adopt a particular geometry in a given solvent predefining the crystallization of certain polymorphs.

Language: English

Type: article , doc-type:article

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9

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VerSe: A Vertebrae Labelling and Segmentation Benchmark for Multi-detector CT Images (2020)

Sekuboyina, Anjany ; Bayat, Amirhossein ; Husseini, Malek E. ; [et al.]

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Publication Date: 2023-03-20

Language: English

Type: article , doc-type:article

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10

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Piecewise Polynomial Taylor Expansions - The Generalization of Faà di Bruno's Formula (2020)

Streubel, Tom ; Tischendorf, Caren ; Griewank, Andreas

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Publication Date: 2023-03-31

Description: We present an extension of Taylor's Theorem for the piecewise polynomial expansion of non-smooth evaluation procedures involving absolute value operations. Evaluation procedures are computer programs of mathematical functions in closed form expression and allow a different treatment of smooth operations or calls to the absolute value function. The well known classical Theorem of Taylor defines polynomial approximations of sufficiently smooth functions and is widely used for the derivation and analysis of numerical integrators for systems of ordinary differential- or differential-algebraic equations, for the construction of solvers for continuous non-linear optimization of finite dimensional objective functions and for root solving of non-linear systems of equations. The long term goal is the stabilization and acceleration of already known methods and the derivation of new methods by incorporating piecewise polynomial Taylor expansions. The herein provided proof of the higher order approximation quality of the new generalized expansions is constructive and allows efficiently designed algorithms for the execution and computation of the piecewise polynomial expansions. As a demonstration towards the ultimate goal we will derive a prototype of a {\$}{\$}k{\$}{\$}k-step method on the basis of polynomial interpolation and the proposed generalized expansions.

Language: English

Type: article , doc-type:article

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11

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On the abs-polynomial expansion of piecewise smooth functions (2020)

Griewank, Andreas ; Streubel, Tom ; Tischendorf, Caren

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Publication Date: 2023-03-31

Description: Tom Streubel has observed that for functions in abs-normal form, generalized Taylor expansions of arbitrary order $\bar d-1$ can be generated by algorithmic piecewise differentiation. Abs-normal form means that the real or vector valued function is defined by an evaluation procedure that involves the absolute value function $|...|$ apart from arithmetic operations and $\bar d$ times continuously differentiable univariate intrinsic functions. The additive terms in Streubel's expansion are abs-polynomial, i.e. involve neither divisions nor intrinsics. When and where no absolute values occur, Moore's recurrences can be used to propagate univariate Taylor polynomials through the evaluation procedure with a computational effort of $\mathcal O({\bar d}^2)$, provided all univariate intrinsics are defined as solutions of linear ODEs. This regularity assumption holds for all standard intrinsics, but for irregular elementaries one has to resort to Faa di Bruno's formula, which has exponential complexity in $\bar d$. As already conjectured we show that the Moore recurrences can be adapted for regular intrinsics to the abs-normal case. Finally, we observe that where the intrinsics are real analytic the expansions can be extended to infinite series that converge absolutely on spherical domains.

Language: English

Type: article , doc-type:article

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12

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On the abs-polynomial expansion of piecewise smooth functions (2020)

Griewank, Andreas ; Streubel, Tom ; Tischendorf, Caren

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Publication Date: 2023-03-31

Description: Tom Streubel has observed that for functions in abs-normal form, generalized Taylor expansions of arbitrary order $\bar d-1$ can be generated by algorithmic piecewise differentiation. Abs-normal form means that the real or vector valued function is defined by an evaluation procedure that involves the absolute value function $|...|$ apart from arithmetic operations and $\bar d$ times continuously differentiable univariate intrinsic functions. The additive terms in Streubel's expansion are abs-polynomial, i.e. involve neither divisions nor intrinsics. When and where no absolute values occur, Moore's recurrences can be used to propagate univariate Taylor polynomials through the evaluation procedure with a computational effort of $\mathcal O({\bar d}^2)$, provided all univariate intrinsics are defined as solutions of linear ODEs. This regularity assumption holds for all standard intrinsics, but for irregular elementaries one has to resort to Faa di Bruno's formula, which has exponential complexity in $\bar d$. As already conjectured we show that the Moore recurrences can be adapted for regular intrinsics to the abs-normal case. Finally, we observe that where the intrinsics are real analytic the expansions can be extended to infinite series that converge absolutely on spherical domains.

Language: English

Type: reportzib , doc-type:preprint

Format: application/pdf

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13

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Capacity Evaluation for Large-Scale Gas Networks (2020)

Koch, Thorsten (Prof. Dr.) ; Schmidt, Martin ; Hiller, Benjamin (Dr.) ; [et al.]

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Publication Date: 2023-04-14

Language: English

Type: article , doc-type:article

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14

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MIPLIB と Hans Mittelmann’s benchmarks (2020)

品野, 勇治

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Publication Date: 2023-04-17

Description: 混合整数計画法 (Mixed Integer Programming: MIP) は，MIP を解くソフトウェアである MIP ソルバが大規模な現実問題を解けるようになったこともあり，現実問題を解く有用な OR の手法として広く知られるようになった．しかしながら，MIP ソルバの開発に欠かせないベンチマーク・データセットおよび性能測定方法についてはそれほど広く知られているとは言い難い．ベンチマーク・データセットは注意を払って作成しないと，多くのバイアスがかかってしまう．それらのバイアスを可能な限りのぞき，真に有用なベンチマーク・テストの結果を得るためには複数の人数で多大な労力を割く必要がある．本稿では，そのような MIP ソルバ開発の背景として重要な役割を果たしてきた MIPLIB と Hans Mittelmann’s benchmarks について解説する．また，本稿において Hans Mittelmann’s benchmarks は，BENCHMARKS FOR OPTIMIZATION SOFTWAREのページ (http://plato.asu.edu/bench.html) に示されているベンチマークである．

Language: Japanese

Type: article , doc-type:article

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15

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Towards Shape-based Knee Osteoarthritis Classification using Graph Convolutional Networks (2020)

von Tycowicz, Christoph (Dr. rer. nat.)

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Publication Date: 2023-04-19

Description: We present a transductive learning approach for morphometric osteophyte grading based on geometric deep learning. We formulate the grading task as semi-supervised node classification problem on a graph embedded in shape space. To account for the high-dimensionality and non-Euclidean structure of shape space we employ a combination of an intrinsic dimension reduction together with a graph convolutional neural network. We demonstrate the performance of our derived classifier in comparisons to an alternative extrinsic approach.

Language: English

Type: conferenceobject , doc-type:conferenceObject

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16

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Generative deep learning for decision making in gas networks (2020)

Anderson, Lovis ; Turner, Mark ; Koch, Thorsten

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Publication Date: 2023-07-14

Description: A decision support system relies on frequent re-solving of similar problem instances. While the general structure remains the same in corresponding applications, the input parameters are updated on a regular basis. We propose a generative neural network design for learning integer decision variables of mixed-integer linear programming (MILP) formulations of these problems. We utilise a deep neural network discriminator and a MILP solver as our oracle to train our generative neural network. In this article, we present the results of our design applied to the transient gas optimisation problem. With the trained network we produce a feasible solution in 2.5s, use it as a warm-start solution, and thereby decrease global optimal solution solve time by 60.5%.

Language: English

Type: reportzib , doc-type:preprint

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17

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Dictionary Learning for transcriptomics data reveals type-specific gene modules in a multi-class setting (2020)

Rams, Mona ; Conrad, Tim

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Publication Date: 2023-07-17

Language: English

Type: article , doc-type:article

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18

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Morphological indicators for limitations in nasal breathing (2020)

Amiridze, Natalja

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Publication Date: 2023-07-17

Description: In order to better understand the relationship between shape of the nasal cavity and to find objective classification for breathing obstruction, a population of 25 cases of healthy nasal cavity and 27 cases with diagnosed nasal airway obstruction (NAO) was examined for correlations between morphological, clinical and CFD parameters. For this purpose a workflow was implemented in Tcl to perform automatic measurements of morphological parameters of nasal cavity surfaces in Amira, which has as output a table with all estimated values. Furthermore, the statistical analysis was designed using Python to find the most probable subset of parameters that are predictors of nasal cavity pathology and consisted of correlation analysis, the selection of the best possible subset of parameters that could be used as predictors of clinically stated pathology of the nasal cavity by a logistic regression classifier. As a result, 10 most promising parameters were identified: mean distance between the two isthmuses, left isthmus contour, area ratio between the two isthmuses, left isthmus height, height ratio between the two isthmuses, left isthmus width, right isthmus width, right isthmus hydraulic diameter, mean distance of septal curvature between the septum enclosing walls of the nasal cavity, velocities volume average by expiration. As it turns out, most parameters refer to the isthmus region. This was to be expected since this region plays an important role in the airflow system of the nasal cavity.

Language: English

Type: bachelorthesis , doc-type:bachelorThesis

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19

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A light-weight and highly flexible software system for analyzing large bio-medical datasets (2020)

Le Duc, Huy ; Conrad, Tim (Dr.)

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Publication Date: 2023-07-17

Language: English

Type: article , doc-type:article

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swMATH: A Publication-based Approach to Mathematical Software (2020)

Dalitz, Wolfgang ; Sperber, Wolfram ; Chrapary, Hagen

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Publication Date: 2023-07-17

Description: The growing importance of mathematical software in everyday life—in applications such as internet communication, traffic, and artificial intelligence—necessitates advances in software documentation services to raise awareness of existing packages and their usage. Such information helps potential software developers and users make informed choices about packages that could advance their work in modeling, simulation, and analysis. At the same time, software presents novel challenges to information services that require the development of new methods and means of processing. swMATH provides users with an overview of a broad range of mathematical software and extends documentation services for publications related to such software. It acts as a counterpart to the established abstracting and reviewing services for mathematical publications and has nearly 30,000 entries, making it one of the most comprehensive documentation services in mathematics.

Language: English

Type: article , doc-type:article

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21

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Graph Kernel Koopman Embedding for Human Microbiome Analysis (2020)

Melnyk, Kateryna ; Montavon, Grègoire ; Klus, Stefan ; [et al.]

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Publication Date: 2023-07-17

Description: More and more diseases have been found to be strongly correlated with disturbances in the microbiome constitution, e.g., obesity, diabetes, or some cancer types. Thanks to modern high-throughput omics technologies, it becomes possible to directly analyze human microbiome and its influence on the health status. Microbial communities are monitored over long periods of time and the associations between their members are explored. These relationships can be described by a time-evolving graph. In order to understand responses of the microbial community members to a distinct range of perturbations such as antibiotics exposure or diseases and general dynamical properties, the time-evolving graph of the human microbial communities has to be analyzed. This becomes especially challenging due to dozens of complex interactions among microbes and metastable dynamics. The key to solving this problem is the representation of the time-evolving graphs as fixed-length feature vectors preserving the original dynamics. We propose a method for learning the embedding of the time-evolving graph that is based on the spectral analysis of transfer operators and graph kernels. We demonstrate that our method can capture temporary changes in the time-evolving graph on both synthetic data and real-world data. Our experiments demonstrate the efficacy of the method. Furthermore, we show that our method can be applied to human microbiome data to study dynamic processes.

Language: English

Type: article , doc-type:article

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22

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Multi-period line planning with resource transfers (2020)

Sahin, Guvenc (Prof. Dr.) ; Ahmadi, Amin ; Borndörfer, Ralf (Prof. Dr.) ; [et al.]

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Publication Date: 2023-08-02

Description: Urban transportation systems are subject to a high level of variation and fluctuation in demand over the day. When this variation and fluctuation are observed in both time and space, it is crucial to develop line plans that are responsive to demand. A multi-period line planning approach that considers a changing demand during the planning horizon is proposed. If such systems are also subject to limitations of resources, a dynamic transfer of resources from one line to another throughout the planning horizon should also be considered. A mathematical modelling framework is developed to solve the line planning problem with a cost-oriented approach considering transfer of resources during a finite length planning horizon of multiple periods. We use real-life public transportation network data for our computational results. We analyze whether or not multi-period solutions outperform single period solutions in terms of feasibility and relevant costs. The importance of demand variation on multi-period solutions is investigated. We evaluate the impact of resource transfer constraints on the effectiveness of solutions. We also study the effect of period lengths along with the problem parameters that are significant for and sensitive to the optimality of solutions.

Language: English

Type: article , doc-type:article

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23

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Parameterized Complexity of Periodic Timetabling (2020)

Lindner, Niels ; Reisch, Julian

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Publication Date: 2023-08-02

Description: Public transportation networks are typically operated with a periodic timetable. The Periodic Event Scheduling Problem (PESP) is the standard mathematical modelling tool for periodic timetabling. Since PESP can be solved in linear time on trees, it is a natural question to ask whether there are polynomial-time algorithms for input networks of bounded treewidth. We show that deciding the feasibility of a PESP instance is NP-hard even when the treewidth is 2, the branchwidth is 2, or the carvingwidth is 3. Analogous results hold for the optimization of reduced PESP instances, where the feasibility problem is trivial. To complete the picture, we present two pseudo-polynomial-time dynamic programming algorithms solving PESP on input networks with bounded tree- or branchwidth. We further analyze the parameterized complexity of PESP with bounded cyclomatic number, diameter, or vertex cover number. For event-activity networks with a special -- but standard -- structure, we give explicit and sharp bounds on the branchwidth in terms of the maximum degree and the carvingwidth of an underlying line network. Finally, we investigate several parameters on the smallest instance of the benchmarking library PESPlib.

Language: English

Type: reportzib , doc-type:preprint

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24

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Dynamical reweighting methods for Markov models (2020)

Kieninger, Stefanie ; Donati, Luca ; Keller, Bettina G.

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Publication Date: 2023-08-02

Description: Conformational dynamics is essential to biomolecular processes. Markov State Models (MSMs) are widely used to elucidate dynamic properties of molecular systems from unbiased Molecular Dynamics (MD). However, the implementation of reweighting schemes for MSMs to analyze biased simulations is still at an early stage of development. Several dynamical reweighing approaches have been proposed, which can be classified as approaches based on (i) Kramers rate theory, (ii) rescaling of the probability density flux, (iii) reweighting by formulating a likelihood function, (iv) path reweighting. We present the state-of-the-art and discuss the methodological differences of these methods, their limitations and recent applications.

Language: English

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Combining Phage Display and Next-generation Sequencing for Materials Sciences: A Case Study on Probing Polypropylene Surfaces (2020)

Juds, Carmen ; Schmidt, Johannes ; Weller, Michael ; [et al.]

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Publication Date: 2023-08-04

Description: Phage display biopanning with Illumina next-generation sequencing (NGS) is applied to reveal insights into peptide-based adhesion domains for polypropylene (PP). One biopanning round followed by NGS selects robust PP-binding peptides that are not evident by Sanger sequencing. NGS provides a significant statistical base that enables motif analysis, statistics on positional residue depletion/enrichment, and data analysis to suppress false-positive sequences from amplification bias. The selected sequences are employed as water-based primers for PP?metal adhesion to condition PP surfaces and increase adhesive strength by 100\% relative to nonprimed PP.

Language: English

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New Limits of Treewidth-based tractability in Optimization (2020)

Faenza, Yuri ; Muñoz, Gonzalo ; Pokutta, Sebastian

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Publication Date: 2023-08-24

Language: English

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27

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Extending Transition Path Theory: Periodically Driven and Finite-Time Dynamics (2020)

Helfmann, Luzie ; Ribera Borrell, Enric ; Schütte, Christof ; [et al.]

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Publication Date: 2023-10-02

Language: English

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28

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4D imaging of lithium-batteries using correlative neutron and X-ray tomography with a virtual unrolling technique (2020)

Ziesche, Ralf F. ; Arlt, Tobias ; Finegan, Donal P. ; [et al.]

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Publication Date: 2023-11-03

Description: The temporally and spatially resolved tracking of lithium intercalation and electrode degradation processes are crucial for detecting and understanding performance losses during the operation of lithium-batteries. Here, high-throughput X-ray computed tomography has enabled the identification of mechanical degradation processes in a commercial Li/MnO2 primary battery and the indirect tracking of lithium diffusion; furthermore, complementary neutron computed tomography has identified the direct lithium diffusion process and the electrode wetting by the electrolyte. Virtual electrode unrolling techniques provide a deeper view inside the electrode layers and are used to detect minor fluctuations which are difficult to observe using conventional three dimensional rendering tools. Moreover, the ‘unrolling’ provides a platform for correlating multi-modal image data which is expected to find wider application in battery science and engineering to study diverse effects e.g. electrode degradation or lithium diffusion blocking during battery cycling.

Language: English

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29

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An open-source drug discovery platform enables ultra-large virtual screens (2020)

Gorgulla, Christoph ; Boeszoermnyi, Andras ; Wang, Zi-Fu ; [et al.]

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Publication Date: 2023-11-03

Description: On average, an approved drug today costs $2-3 billion and takes over ten years to develop1. In part, this is due to expensive and time-consuming wet-lab experiments, poor initial hit compounds, and the high attrition rates in the (pre-)clinical phases. Structure-based virtual screening (SBVS) has the potential to mitigate these problems. With SBVS, the quality of the hits improves with the number of compounds screened2. However, despite the fact that large compound databases exist, the ability to carry out large-scale SBVSs on computer clusters in an accessible, efficient, and flexible manner has remained elusive. Here we designed VirtualFlow, a highly automated and versatile open-source platform with perfect scaling behaviour that is able to prepare and efficiently screen ultra-large ligand libraries of compounds. VirtualFlow is able to use a variety of the most powerful docking programs. Using VirtualFlow, we have prepared the largest and freely available ready-to-dock ligand library available, with over 1.4 billion commercially available molecules. To demonstrate the power of VirtualFlow, we screened over 1 billion compounds and discovered a small molecule inhibitor (iKeap1) that engages KEAP1 with nanomolar affinity (Kd = 114 nM) and disrupts the interaction between KEAP1 and the transcription factor NRF2. We also identified a set of structurally diverse molecules that bind to KEAP1 with submicromolar affinity. This illustrates the potential of VirtualFlow to access vast regions of the chemical space and identify binders with high affinity for target proteins.

Language: English

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30

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HIF-stabilization prevents delayed fracture healing (2020)

Lang, Annemarie ; Helfmeier, Sarah ; Stefanowski, Jonathan ; [et al.]

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Publication Date: 2023-11-03

Language: English

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31

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Accelerating Domain Propagation: an Efficient GPU-Parallel Algorithm over Sparse Matrices (2020)

Sofranac, Boro ; Gleixner, Ambros ; Pokutta, Sebastian

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Publication Date: 2023-11-03

Description: Fast domain propagation of linear constraints has become a crucial component of today's best algorithms and solvers for mixed integer programming and pseudo-boolean optimization to achieve peak solving performance. Irregularities in the form of dynamic algorithmic behaviour, dependency structures, and sparsity patterns in the input data make efficient implementations of domain propagation on GPUs and, more generally, on parallel architectures challenging. This is one of the main reasons why domain propagation in state-of-the-art solvers is single thread only. In this paper, we present a new algorithm for domain propagation which (a) avoids these problems and allows for an efficient implementation on GPUs, and is (b) capable of running propagation rounds entirely on the GPU, without any need for synchronization or communication with the CPU. We present extensive computational results which demonstrate the effectiveness of our approach and show that ample speedups are possible on practically relevant problems: on state-of-the-art GPUs, our geometric mean speed-up for reasonably-large instances is around 10x to 20x and can be as high as 195x on favorably-large instances.

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32

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Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method (2020)

Gorgulla, Christoph ; Fackeldey, Konstantin ; Wagner, Gerhard ; [et al.]

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Publication Date: 2023-11-03

Description: Structure-based virtual screening approaches have the ability to dramatically reduce the time and costs associated to the discovery of new drug candidates. Studies have shown that the true hit rate of virtual screenings improves with the scale of the screened ligand libraries. Therefore, we have recently developed an open source drug discovery platform (VirtualFlow), which is able to routinely carry out ultra-large virtual screenings. One of the primary challenges of molecular docking is the circumstance when the protein is highly dynamic or when the structure of the protein cannot be captured by a static pose. To accommodate protein dynamics, we report the extension of VirtualFlow to allow the docking of ligands using a grey wolf optimization algorithm using the docking program GWOVina, which substantially improves the quality and efficiency of flexible receptor docking compared to AutoDock Vina. We demonstrate the linear scaling behavior of VirtualFlow utilizing GWOVina up to 128 000 CPUs. The newly supported docking method will be valuable for drug discovery projects in which protein dynamics and flexibility play a significant role.

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33

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Impact of Contact Surfaces on the Death Estimation (2020)

Baumann, Felix

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Publication Date: 2023-11-03

Description: The determination of time of death is one of the central tasks in forensic medicine. A standard method of time of death estimation elies on matching temperature measurements of the corpse with a post-mortem cooling model. In addition to widely used empirical post-mortem models, modelling based on a precise mathematical simulation of the cooling process have been gaining popularity. The simulation based cooling models and the resulting time of death estimates dependon a large variety of parameters. These include hermal properties for different body tissue types, environmental conditions such as temperature and air flow, and the presence of clothing and coverings. In this thesis we focus on a specific arameter - the contact between corpse and underground - and investigate its influence on the time of death estimation. Resulting we aim to answer the question whether it is necessary to consider contact mechanics in the underlying mathematical cooling model.

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Type: masterthesis , doc-type:masterThesis

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34

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Quantifying Asymmetry in Gait: A Weighted Universal Symmetry Index to Evaluate 3D Ground Reaction Forces (2020)

Alves, Sónia ; Ehrig, Rainald (Dr.) ; Raffalt, Peter C. ; [et al.]

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Publication Date: 2023-11-03

Description: Though gait asymmetry is used as a metric of functional recovery in clinical rehabilitation, there is no consensus on an ideal method for its evaluation. Various methods have been proposed but are limited in scope, as they can often use only positive signals or discrete values extracted from time-scale data as input. By defining five symmetry axioms, a framework for benchmarking existing methods was established and a new method was described here for the first time: the weighted universal symmetry index (wUSI), which overcomes limitations of other methods. Both existing methods and the wUSI were mathematically compared to each other and in respect to their ability to fulfill the proposed symmetry axioms. Eligible methods that fulfilled these axioms were then applied using both discrete and continuous approaches to ground reaction force (GRF) data collected from healthy gait, both with and without artificially induced asymmetry using a single instrumented elbow crutch. The wUSI with a continuous approach was the only symmetry method capable of determining GRF asymmetries in different walking conditions in all three planes of motion. When used with a continuous approach, the wUSI method was able to detect asymmetries while avoiding artificial inflation, a common problem reported in other methods. In conclusion, the wUSI is proposed as a universal method to quantify three-dimensional GRF asymmetries, which may also be expanded to other biomechanical signals.

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35

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Two-row and two-column mixed-integer presolve using hashing-based pairing methods (2020)

Gemander, Patrick ; Chen, Wei-Kun ; Weninger, Dieter ; [et al.]

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Publication Date: 2023-11-03

Description: In state-of-the-art mixed-integer programming solvers, a large array of reduction techniques are applied to simplify the problem and strengthen the model formulation before starting the actual branch-and-cut phase. Despite their mathematical simplicity, these methods can have significant impact on the solvability of a given problem. However, a crucial property for employing presolve techniques successfully is their speed. Hence, most methods inspect constraints or variables individually in order to guarantee linear complexity. In this paper, we present new hashing-based pairing mechanisms that help to overcome known performance limitations of more powerful presolve techniques that consider pairs of rows or columns. Additionally, we develop an enhancement to one of these presolve techniques by exploiting the presence of set-packing structures on binary variables in order to strengthen the resulting reductions without increasing runtime. We analyze the impact of these methods on the MIPLIB 2017 benchmark set based on an implementation in the MIP solver SCIP.

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36

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The Maximum Diversity Assortment Selection Problem (2020)

Prause, Felix ; Hoppmann-Baum, Kai ; Defourny, Boris ; [et al.]

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Publication Date: 2023-11-03

Description: In this paper, we introduce the Maximum Diversity Assortment Selection Problem (MADASS), which is a generalization of the 2-dimensional Cutting Stock Problem (2CSP). Given a set of rectangles and a rectangular container, the goal of 2CSP is to determine a subset of rectangles that can be placed in the container without overlapping, i.e., a feasible assortment, such that a maximum area is covered. In MADASS, we need to determine a set of feasible assortments, each of them covering a certain minimum threshold of the container, such that the diversity among them is maximized. Thereby, diversity is defined as minimum or average normalized Hamming-Distance of all assortment pairs. The MADASS Problem was used in the 11th AIMMS-MOPTA Competition in 2019. The methods we describe in this article and the computational results won the contest. In the following, we give a definition of the problem, introduce a mathematical model and solution approaches, determine upper bounds on the diversity, and conclude with computational experiments conducted on test instances derived from the 2CSP literature.

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37

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BEAM-ME: Accelerating Linear Energy Systems Models by a Massively Parallel Interior Point Method (2020)

Breuer, Thomas ; Bussieck, Michael ; Cao, Karl-Kien ; [et al.]

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Publication Date: 2023-11-03

Language: English

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38

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Minimising levelised cost of electricity of bifacial solar panel arrays using Bayesian optimisation (2020)

Tillmann, Peter ; Jäger, Klaus ; Becker, Christiane

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Publication Date: 2023-11-06

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39

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Detailed illumination model for bifacial solar cells (2020)

Jäger, Klaus ; Tillmann, Peter ; Becker, Christiane

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Publication Date: 2023-11-06

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40

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Simulating bifacial perovskite/silicon tandem solar cells in large PV fields (2020)

Jäger, Klaus ; Tillmann, Peter ; Katz, Eugene A. ; [et al.]

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Publication Date: 2023-11-06

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41

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Mathematical Optimization for Efficient and Robust Energy Networks (2020)

Hadjidimitriou, Natalia Selini ; Frangioni, Antonio ; Lodi, Andrea ; [et al.]

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Publication Date: 2023-11-06

Language: English

Type: book , doc-type:book

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42

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Perovskite/silicon tandem solar cells: Effect of luminescent coupling and bifaciality (2020)

Jäger, Klaus ; Tillmann, Peter ; Katz, Eugene A. ; [et al.]

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Publication Date: 2023-11-06

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43

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Analysis and comparison of algorithms for the tomographic reconstruction of curved fibres (2020)

Fröhler, Bernhard ; Elberfeld, Tim ; Möller, Torsten ; [et al.]

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Publication Date: 2023-11-06

Description: We present visual methods for the analysis and comparison of the results of curved fibre reconstruction algorithms, i.e., of algorithms extracting characteristics of curved fibres from X-ray computed tomography scans. In this work, we extend previous methods for the analysis and comparison of results of different fibre reconstruction algorithms or parametrisations to the analysis of curved fibres. We propose fibre dissimilarity measures for such curved fibres and apply these to compare multiple results to a specified reference. We further propose visualisation methods to analyse differences between multiple results quantitatively and qualitatively. In two case studies, we show that the presented methods provide valuable insights for advancing and parametrising fibre reconstruction algorithms, and support in improving their results in characterising curved fibres.

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44

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A Theory for the Emergence of Neocortical Network Architecture (2020)

Udvary, Daniel ; Harth, Philipp ; Macke, Jakob H. ; [et al.]

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Publication Date: 2023-11-06

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45

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Symmetric or not? A holistic approach to the measurement of fluctuating asymmetry from facial photographs (2020)

Weiss, Selina ; Grewe, Carl Martin ; Olderbak, Sally ; [et al.]

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Publication Date: 2024-01-12

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46

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Conflict-Driven Heuristics for Mixed Integer Programming (2020)

Witzig, Jakob ; Gleixner, Ambros

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Publication Date: 2024-01-12

Description: Two essential ingredients of modern mixed-integer programming (MIP) solvers are diving heuristics that simulate a partial depth-first search in a branch-and-bound search tree and conflict analysis of infeasible subproblems to learn valid constraints. So far, these techniques have mostly been studied independently: primal heuristics under the aspect of finding high-quality feasible solutions early during the solving process and conflict analysis for fathoming nodes of the search tree and improving the dual bound. Here, we combine both concepts in two different ways. First, we develop a diving heuristic that targets the generation of valid conflict constraints from the Farkas dual. We show that in the primal this is equivalent to the optimistic strategy of diving towards the best bound with respect to the objective function. Secondly, we use information derived from conflict analysis to enhance the search of a diving heuristic akin to classical coefficient diving. The computational performance of both methods is evaluated using an implementation in the source-open MIP solver SCIP. Experiments are carried out on publicly available test sets including Miplib 2010 and Cor@l.

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47

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Symmetric or not? A holistic approach to the measurement of fluctuating asymmetry from facial photographs (2020)

Weiss, Selina ; Grewe, Carl Martin ; Olderbak, Sally ; [et al.]

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Publication Date: 2024-01-12

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48

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Conflict-Free Learning for Mixed Integer Programming (2020)

Witzig, Jakob ; Berthold, Timo

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Publication Date: 2024-01-12

Description: Conflict learning plays an important role in solving mixed integer programs (MIPs) and is implemented in most major MIP solvers. A major step for MIP conflict learning is to aggregate the LP relaxation of an infeasible subproblem to a single globally valid constraint, the dual proof, that proves infeasibility within the local bounds. Among others, one way of learning is to add these constraints to the problem formulation for the remainder of the search. We suggest to not restrict this procedure to infeasible subproblems, but to also use global proof constraints from subproblems that are not (yet) infeasible, but can be expected to be pruned soon. As a special case, we also consider learning from integer feasible LP solutions. First experiments of this conflict-free learning strategy show promising results on the MIPLIB2017 benchmark set.

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49

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The SCIP Optimization Suite 7.0 (2020)

Gamrath, Gerald ; Anderson, Daniel ; Bestuzheva, Ksenia ; [et al.]

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Publication Date: 2024-01-12

Description: The SCIP Optimization Suite provides a collection of software packages for mathematical optimization centered around the constraint integer programming frame- work SCIP. This paper discusses enhancements and extensions contained in version 7.0 of the SCIP Optimization Suite. The new version features the parallel presolving library PaPILO as a new addition to the suite. PaPILO 1.0 simplifies mixed-integer linear op- timization problems and can be used stand-alone or integrated into SCIP via a presolver plugin. SCIP 7.0 provides additional support for decomposition algorithms. Besides im- provements in the Benders’ decomposition solver of SCIP, user-defined decomposition structures can be read, which are used by the automated Benders’ decomposition solver and two primal heuristics. Additionally, SCIP 7.0 comes with a tree size estimation that is used to predict the completion of the overall solving process and potentially trigger restarts. Moreover, substantial performance improvements of the MIP core were achieved by new developments in presolving, primal heuristics, branching rules, conflict analysis, and symmetry handling. Last, not least, the report presents updates to other components and extensions of the SCIP Optimization Suite, in particular, the LP solver SoPlex and the mixed-integer semidefinite programming solver SCIP-SDP.

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50

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Conflict Analysis for MINLP (2020)

Berthold, Timo ; Witzig, Jakob

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Publication Date: 2024-01-12

Description: The generalization of MIP techniques to deal with nonlinear, potentially non-convex, constraints have been a fruitful direction of research for computational MINLP in the last decade. In this paper, we follow that path in order to extend another essential subroutine of modern MIP solvers towards the case of nonlinear optimization: the analysis of infeasible subproblems for learning additional valid constraints. To this end, we derive two different strategies, geared towards two different solution approaches. These are using local dual proofs of infeasibility for LP-based branch-and-bound and the creation of nonlinear dual proofs for NLP-based branch-and-bound, respectively. We discuss implementation details of both approaches and present an extensive computational study, showing that both techniques can significantly enhance performance when solving MINLPs to global optimality.

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51

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A Discrete-Continuous Algorithm for Free Flight Planning (2020)

Borndörfer, Ralf ; Danecker, Fabian ; Weiser, Martin

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Publication Date: 2024-01-12

Description: We propose a hybrid discrete-continuous algorithm for flight planning in free flight airspaces. In a first step, our DisCOptER method discrete-continuous optimization for enhanced resolution) computes a globally optimal approximate flight path on a discretization of the problem using the A* method. This route initializes a Newton method that converges rapidly to the smooth optimum in a second step. The correctness, accuracy, and complexity of the method are goverened by the choice of the crossover point that determines the coarseness of the discretization. We analyze the optimal choice of the crossover point and demonstrate the asymtotic superority of DisCOptER over a purely discrete approach.

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52

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A Discrete-Continuous Algorithm for Free Flight Planning (2020)

Borndörfer, Ralf ; Danecker, Fabian ; Weiser, Martin

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Publication Date: 2024-01-12

Description: We propose a hybrid discrete-continuous algorithm for flight planning in free flight airspaces. In a first step, our DisCOptER method discrete-continuous optimization for enhanced resolution) computes a globally optimal approximate flight path on a discretization of the problem using the A* method. This route initializes a Newton method that converges rapidly to the smooth optimum in a second step. The correctness, accuracy, and complexity of the method are goverened by the choice of the crossover point that determines the coarseness of the discretization. We analyze the optimal choice of the crossover point and demonstrate the asymtotic superority of DisCOptER over a purely discrete approach.

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53

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Inferring Gene Regulatory Networks from Single Cell RNA-seq Temporal Snapshot Data Requires Higher Order Moments (2020)

Sunkara, Vikram ; Raharinirina, N. Alexia ; Peppert, Felix ; [et al.]

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Publication Date: 2024-01-12

Description: Due to the increase in accessibility and robustness of sequencing technology, single cell RNA-seq (scRNA-seq) data has become abundant. The technology has made significant contributions to discovering novel phenotypes and heterogeneities of cells. Recently, there has been a push for using single-- or multiple scRNA-seq snapshots to infer the underlying gene regulatory networks (GRNs) steering the cells' biological functions. To date, this aspiration remains unrealised. In this paper, we took a bottom-up approach and curated a stochastic two gene interaction model capturing the dynamics of a complete system of genes, mRNAs, and proteins. In the model, the regulation was placed upstream from the mRNA on the gene level. We then inferred the underlying regulatory interactions from only the observation of the mRNA population through~time. We could detect signatures of the regulation by combining information of the mean, covariance, and the skewness of the mRNA counts through time. We also saw that reordering the observations using pseudo-time did not conserve the covariance and skewness of the true time course. The underlying GRN could be captured consistently when we fitted the moments up to degree three; however, this required a computationally expensive non-linear least squares minimisation solver. There are still major numerical challenges to overcome for inference of GRNs from scRNA-seq data. These challenges entail finding informative summary statistics of the data which capture the critical regulatory information. Furthermore, the statistics have to evolve linearly or piece-wise linearly through time to achieve computational feasibility and scalability.

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54

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A review study of functional autoregressive models with application to energy forecasting (2020)

Koch, Thorsten (Prof. Dr.) ; Chen, Ying ; Lim, Kian Guan ; [et al.]

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Publication Date: 2023-12-20

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55

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Modeling and Forecasting the Dynamics of the Natural Gas Transmission Network in Germany with the Demand and Supply Balance Constraint (2020)

Chen, Ying ; Zakiyeva, Nazgul ; Zhu, Bangzhu ; [et al.]

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Publication Date: 2023-12-20

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56

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How to calculate pH-dependent binding rates for receptor-ligand systems based on thermodynamic simulations with different binding motifs (2020)

Ray, Sourav ; Sunkara, Vikram ; Schütte, Christof ; [et al.]

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Publication Date: 2024-02-09

Description: Molecular simulations of ligand–receptor interactions are a computational challenge, especially when their association- (‘on’-rate) and dissociation- (‘off’-rate) mechanisms are working on vastly differing timescales. One way of tackling this multiscale problem is to compute the free-energy landscapes, where molecular dynamics (MD) trajectories are used to only produce certain statistical ensembles. The approach allows for deriving the transition rates between energy states as a function of the height of the activation-energy barriers. In this article, we derive the association rates of the opioids fentanyl and N-(3-fluoro-1-phenethylpiperidin-4-yl)-N-phenyl propionamide (NFEPP) in a μ-opioid receptor by combining the free-energy landscape approach with the square-root-approximation method (SQRA), which is a particularly robust version of Markov modelling. The novelty of this work is that we derive the association rates as a function of the pH level using only an ensemble of MD simulations. We also verify our MD-derived insights by reproducing the in vitro study performed by the Stein Lab.

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57

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ISOKANN: Invariant subspaces of Koopman operators learned by a neural network (2020)

Rabben, Robert Julian ; Ray, Sourav ; Weber, Marcus

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Publication Date: 2024-02-09

Description: The problem of determining the rate of rare events in dynamical systems is quite well-known but still difficult to solve. Recent attempts to overcome this problem exploit the fact that dynamic systems can be represented by a linear operator, such as the Koopman operator. Mathematically, the rare event problem comes down to the difficulty in finding invariant subspaces of these Koopman operators K. In this article, we describe a method to learn basis functions of invariant subspaces using an artificial neural Network.

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58

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How to calculate pH-dependent binding rates for receptor-ligand systems based on thermodynamic simulations with different binding motifs (2020)

Ray, Sourav (Dr.) ; Sunkara, Vikram (Dr.) ; Schütte, Christof (Prof. Dr.) ; [et al.]

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Publication Date: 2024-02-09

Description: Molecular simulations of ligand-receptor interactions are a computational challenge, especially when their association- (``on''-rate) and dissociation- (``off''-rate) mechanisms are working on vastly differing timescales. In addition, the timescale of the simulations themselves is, in practice, orders of magnitudes smaller than that of the mechanisms; which further adds to the complexity of observing these mechanisms, and of drawing meaningful and significant biological insights from the simulation. One way of tackling this multiscale problem is to compute the free-energy landscapes, where molecular dynamics (MD) trajectories are used to only produce certain statistical ensembles. The approach allows for deriving the transition rates between energy states as a function of the height of the activation-energy barriers. In this article, we derive the association rates of the opioids fentanyl and N-(3-fluoro-1-phenethylpiperidin-4-yl)- N-phenyl propionamide (NFEPP) in a $\mu$-opioid receptor by combining the free-energy landscape approach with the square-root-approximation method (SQRA), which is a particularly robust version of Markov modelling. The novelty of this work is that we derive the association rates as a function of the pH level using only an ensemble of MD simulations. We also verify our MD-derived insights by reproducing the in vitro study performed by the Stein Lab, who investigated the influence of pH on the inhibitory constant of fentanyl and NFEPP (Spahn et al. 2017). MD simulations are far more accessible and cost-effective than in vitro and in vivo studies. Especially in the context of the current opioid crisis, MD simulations can aid in unravelling molecular functionality and assist in clinical decision-making; the approaches presented in this paper are a pertinent step forward in this direction.

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59

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Data-driven approximation of the Koopman generator: Model reduction, system identification, and control (2020)

Klus, Stefan ; Nüske, Feliks ; Peitz, Sebastian ; [et al.]

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Publication Date: 2024-03-18

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60

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Multiperiod Optimal Power Flow Problem In Distribution System Planning (2020)

Pedersen, Jaap

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Publication Date: 2024-04-26

Description: Growing demand, distributed generation, such as renewable energy sources (RES), and the increasing role of storage systems to mitigate the volatility of RES on a medium voltage level, push existing distribution grids to their limits. Therefore, necessary network expansion needs to be evaluated to guarantee a safe and reliable electricity supply in the future taking these challenges into account. This problem is formulated as an optimal power flow (OPF) problem which combines network expansion, volatile generation and storage systems, minimizing network expansion and generation costs. As storage systems introduce a temporal coupling into the system, a multiperiod OPF problem is needed and analysed in this thesis. To reduce complexity, the network expansion problem is represented in a continuous nonlinear programming formulation by using fundamental properties of electrical engeneering. This formulation is validated succesfully against a common mixed integer programming approach on a 30 and 57 bus network with respect to solution and computing time. As the OPF problem is, in general, a nonconvex, nonlinear problem and, thus, hard to solve, convex relaxations of the power flow equations have gained increasing interest. Sufficient conditions are represented which guarantee exactness of a second-order cone (SOC) relaxation of an operational OPF in radial networks. In this thesis, these conditions are enhanced for the network expansion planning problem. Additionally, nonconvexities introduced by the choice of network expansion variables are relaxed by using McCormick envelopes. These relaxations are then applied on the multiperiod OPF and compared to the original problem on a 30 and a 57 bus network. In particular, the computational time is decreased by an order up to 10^2 by the SOC relaxation while it provides either an exact solution or a sufficient lower bound on the original problem. Finally, a sensitivity study is performed on weights of network expansion costs showing strong dependency of both the solution of performed expansion and solution time on the chosen weights.

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Type: masterthesis , doc-type:masterThesis

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61

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Production and Demand Management (2020)

Diekerhof, M. ; Monti, A. ; Lebedeva, E. ; [et al.]

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Publication Date: 2024-04-26

Description: Demand Side Management (DSM) is usually considered as a process of energy consumption shifting from peak hours to off-peak times. DSM does not always reduce total energy consumption, but it helps to meet energy demand and supply. For example, it balances variable generation from renewables (such as solar and wind) when energy demand differs from renewable generation.

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62

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Network and Storage (2020)

Schwarz, R. ; Lacalandra, F. ; Schewe, L. ; [et al.]

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Publication Date: 2024-04-26

Description: Natural gas is considered by many to be the most important energy source for the future. The objectives of energy commodities strategic problems can be mainly related to natural gas and deal with the definition of the “optimal” gas pipelines design which includes a number of related sub problems such as: Gas stations (compression) location and Gas storage locations, as well as compression station design and optimal operation.

Language: English

Type: bookpart , doc-type:bookPart

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63

Unknown

エネルギー供給システムの設計および運用の階層的関係を考慮した最適化 (k-メドイド法に基づく期間クラスタリングの適用) (2020)

Takeuchi, Kotaro ; Yokoyama, Ryohei ; Shinano, Yuji ; [et al.]

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Publication Date: 2024-04-26

Description: To attain the highest performance of energy supply systems, it is necessary to determine design specifications optimally in consideration of operational strategies corresponding to seasonal and hourly variations in energy demands. A hierarchical mixed-integer linear programming method has been proposed to solve such an optimal design problem efficiently. In this paper, a method of reducing model by clustering periods with the k-medoids method is applied to the relaxed optimal design problem at the upper level. Through a case study, it is clarified how the proposed method is effective to enhance the computation efficiency in a large scale optimal design problem.

Language: Japanese

Type: article , doc-type:article

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64

Unknown

エネルギー供給システムの設計および運用の階層的関係を考慮した最適化 (多目的最適設計へのモデル縮約の適用) (2020)

Takeuchi, Kotaro ; Yokoyama, Ryohei ; Shinano, Yuji ; [et al.]

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Publication Date: 2024-04-26

Description: To attain the highest performance of energy supply systems, it is necessary to determine design specifications optimally in consideration of operational strategies corresponding to seasonal and hourly variations in energy demands. Mixed-integer linear programming (MILP) methods have been applied widely to such optimal design problems. A hierarchical MILP method has been proposed to solve the problems very efficiently. In addition, by utilizing features of the hierarchical MILP method, a method of reducing model by clustering periods based on the optimal operational strategies of equipment has been proposed to search design solution candidates efficiently in the relaxed optimal design problem at the upper level. In this paper, these methods are applied to the multiobjective optimal design of a cogeneration system by considering the annual total cost and primary energy consumption as the objective functions to be minimized. Through a case study, it turns out that the model reduction by the operation-based time-period clustering is effective in terms of the computation efficiency when importance is given to the first objective function, while it is not when importance is given to the second objective function.

Language: Japanese

Type: article , doc-type:article

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65

Unknown

階層的最適化手法を用いたエネルギー供給システムのロバスト性評価 (2020)

Kamada, Hiroki ; Yokoyama, Ryohei ; Shinano, Yuji ; [et al.]

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Publication Date: 2024-04-26

Description: A robust optimal design method of energy supply systems under uncertain energy demands has been proposed using a mixed-integer linear model for constituent equipment. However, this method takes a long computation time, and thus it can be applied only to small-scale problems. In this paper, a hierarchical optimization method is applied to two types of optimization problems for evaluating robustness to solve them efficiently. In a case study, the proposed method is applied to a cogeneration system with a complex configuration, and the validity and effectiveness of the method are ascertained.

Language: Japanese

Type: article , doc-type:article

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66

Unknown

階層的最適化手法の援用によるエネルギー供給システムのロバスト最適設計 (2020)

Kamada, Hiroki ; Yokoyama, Ryohei ; Shinano, Yuji ; [et al.]

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Publication Date: 2024-04-26

Description: A robust optimal design method of energy supply systems under uncertain energy demands has been proposed using a mixed- integer linear model for constituent equipment. A robust optimal design problem has been formulated as a three-level min-max- min optimization one by expressing uncertain energy demands by intervals, evaluating the robustness in a performance criterion based on the minimax regret criterion, and considering hierarchical relationships among design variables, uncertain energy demands, and operation variables. Since this problem must be solved by a special algorithm and is too difficult to solve even using a commercial solver, a hierarchical optimization approach has been applied to solve the problem but its application is limited only to small scale toy problems. In this paper, some strategies are introduced into the hierarchical optimization approach to enhance the computation efficiency for the purpose of applying the approach to large scale practical problems. In a case study, the proposed approach is applied to the robust optimal design of a cogeneration system with a complex configuration, and the validity and effectiveness of the method are ascertained.

Language: Japanese

Type: article , doc-type:article

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67

Unknown

DIN SPEC 2343: Übertragung von sprachbasierten Daten zwischen Künstlichen Intelligenzen - Festlegung von Parametern und Formaten (2020)

Weber, Marcus ; Weitere Autoren

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Publication Date: 2024-06-11

Description: Dieses Dokument legt Parameter und Formate für die Übertragung sprachbasierter Daten zwischen verschiedenen KI-Ökosystemen fest.

Language: German

Type: article , doc-type:article

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68

Book

Practical statistics for medical research /; 12 (2020)

Altman, Douglas G.

London :Chapman & Hall,

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Title: Practical statistics for medical research /; 12

Author: Altman, Douglas G.

Edition: 2nd ed

Publisher: London :Chapman & Hall,

Year of publication: 2020

Pages: 1 v.

Series Statement: Chapman & Hall/CRC texts in statistical science 12

ISBN: 978-1-584-88039-4 , 1-584-88039-2

Type of Medium: Book

URL: 04

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69

Book

Geometric Partial Differential Equations : Part 1; 21 (2020)

Bonito, Andrea

Amsterdam :Elsevier,

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Title: Geometric Partial Differential Equations : Part 1; 21

Author: Bonito, Andrea

Publisher: Amsterdam :Elsevier,

Year of publication: 2020

Pages: XVII, 692 S.

Series Statement: Handbook of numerical analysis 21

ISBN: 978-0-444-64003-1

Type of Medium: Book

Language: German

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70

Book

c't Python-Projekte 2020 : von alltagstauglich bis völlig nerdig (2020)

c't-Redaktion

Heise Zeitschriften Verlag,

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Title: c't Python-Projekte 2020 : von alltagstauglich bis völlig nerdig

Author: c't-Redaktion

Publisher: Heise Zeitschriften Verlag,

Year of publication: 2020

Type of Medium: Book

Language: German

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71

Book

Effektiv Python programmieren : 90 Wege für bessere Python-Programme (2020)

Slatkin, Brett [[Verfasser]] ; Lorenzen, Knut [[Übersetzer]]

Bonn :mitp-Verlag,

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Title: Effektiv Python programmieren : 90 Wege für bessere Python-Programme

Author: Slatkin, Brett

Contributer: Lorenzen, Knut

Edition: 2. Auflage

Publisher: Bonn :mitp-Verlag,

Year of publication: 2020

Pages: 499 Seiten

ISBN: 978-3-7475-0176-4

Type of Medium: Book

Language: German

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72

Book

PostgreSQL for DBA : PostgreSQL 12 (2020)

Campoli, Federico

Independently Published,

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Title: PostgreSQL for DBA : PostgreSQL 12

Author: Campoli, Federico

Publisher: Independently Published,

Year of publication: 2020

Pages: 396 S.

Type of Medium: Book

Language: English

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73

Online Resource

PostgreSQL 12 high availability cookbook : over 100 recipes to design a highly available server with the advanced features of PostgreSQL 12 (2020)

Thomas, Shaun

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Title: PostgreSQL 12 high availability cookbook : over 100 recipes to design a highly available server with the advanced features of PostgreSQL 12

Author: Thomas, Shaun

Edition: 3rd Revised edition

Year of publication: 2020

Pages: Online Resource , Online Resource

ISBN: 978-1-83898-505-9

Type of Medium: Online Resource

Language: English

URL: http://search.ebscohost.com/login.aspx?direct=true&db=nlebk&AN=2380326&site=ehost-live

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74

Book

¬Die¬ Unix-Story : die faszinierende Geshcichte, wie Unix begann und wie es die Computerwelt eroberte (2020)

Kernighan, Brian

Heidelberg :dpunkt Verlag,

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Title: ¬Die¬ Unix-Story : die faszinierende Geshcichte, wie Unix begann und wie es die Computerwelt eroberte

Author: Kernighan, Brian

Publisher: Heidelberg :dpunkt Verlag,

Year of publication: 2020

Pages: 240 S.

ISBN: 978-3-86490-778-4

Type of Medium: Book

Language: German

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75

Book

TV-L Kommentar 2020 : Jahrbuch zum Tarifvertrag der Länder mit allen wichtigen Tariftexten und den Entgeltordnungen (2020)

Effertz, Jörg

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Title: TV-L Kommentar 2020 : Jahrbuch zum Tarifvertrag der Länder mit allen wichtigen Tariftexten und den Entgeltordnungen

Author: Effertz, Jörg

Edition: 1. Aufl.

Year of publication: 2020

Pages: 1567 S.

Series Statement: Wissen für die Praxis

ISBN: 978-3-8029-7922-4

Type of Medium: Book

Language: German

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76

Book

Geometric Singular Perturbation Theory Beyond the Standard Form / (2020)

Wechselberger, Martin

Cham :Springer,

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Title: Geometric Singular Perturbation Theory Beyond the Standard Form /

Author: Wechselberger, Martin

Publisher: Cham :Springer,

Year of publication: 2020

Type of Medium: Book

Language: German

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77

Book

Bundespersonalvertretungsgesetz : Basiskommentar mit Wahlordnung und ergänzenden Vorschriften für Gerichte, Bahn, Post, Bundeswehr und Nato (2020)

Altvater, Lothar ; Baden, Eberhard ; Baunack, Sebastian

Köln :Bund-Verlag,

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Title: Bundespersonalvertretungsgesetz : Basiskommentar mit Wahlordnung und ergänzenden Vorschriften für Gerichte, Bahn, Post, Bundeswehr und Nato

Author: Altvater, Lothar

Contributer: Baden, Eberhard , Baunack, Sebastian

Edition: 9., aktualisierte Auflage

Publisher: Köln :Bund-Verlag,

Year of publication: 2020

Pages: 1100 Seiten

ISBN: 978-3-7663-6888-1

Type of Medium: Book

Language: German

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78

Book

Algorithmen in Python : 32 Klassiker vom Damenproblem bis zu Neuronalen Netzen (2020)

Kopec, David

Bonn :Rheinwerk,

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Title: Algorithmen in Python : 32 Klassiker vom Damenproblem bis zu Neuronalen Netzen

Author: Kopec, David

Edition: 1. Auflage

Publisher: Bonn :Rheinwerk,

Year of publication: 2020

Pages: 292 Seiten

ISBN: 978-3-8362-7747-1

Type of Medium: Book

Language: German

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79

Book

Bürgerliches Gesetzbuch : mit Nebengesetzen, insbesondere mit Einführungsgesetz (Auszug) einschließlich Rom I-, Rom II- und Rom III-Verordnungen sowie EU-Güterrechtsverordnungen, Haager Unterhaltsprotokoll und EU-Erbrechtsverordnung, Allgemeines Gleichbehandlungsgesetz (Auszug), Wohn- und Betreuungsvertragsgesetz, Unterlassungsklagengesetz (PalHome), Produkthaftungsgesetz, Erbbaurechtsgesetz, Wohnungseigentumsgesetz, Versorgungsausgleichsgesetz, Lebenspartnerschaftsgesetz (PalHome), Gewaltschutzgesetz (2020)

Palandt, Otto [[Begründer eines Werks]] ; Brudermüller, Gerd ; Ellenberger, Jürgen ; [et al.]

München :C. H. Beck,

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Title: Bürgerliches Gesetzbuch : mit Nebengesetzen, insbesondere mit Einführungsgesetz (Auszug) einschließlich Rom I-, Rom II- und Rom III-Verordnungen sowie EU-Güterrechtsverordnungen, Haager Unterhaltsprotokoll und EU-Erbrechtsverordnung, Allgemeines Gleichbehandlungsgesetz (Auszug), Wohn- und Betreuungsvertragsgesetz, Unterlassungsklagengesetz (PalHome), Produkthaftungsgesetz, Erbbaurechtsgesetz, Wohnungseigentumsgesetz, Versorgungsausgleichsgesetz, Lebenspartnerschaftsgesetz (PalHome), Gewaltschutzgesetz

Author: Palandt, Otto

Contributer: Brudermüller, Gerd , Ellenberger, Jürgen , Götz, Isabell , Grüneberg, Christian

Edition: 79., neubearbeitete Auflage, Redaktionsschluss: 15. Oktober 2019

Publisher: München :C. H. Beck,

Year of publication: 2020

Pages: XXXIV, 3245 Seiten

ISBN: 978-3-406-73800-5

Type of Medium: Book

Language: German

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80

Book

Numerische Mathematik 3 : Adaptive Lösung partieller Differentialgleichungen; 3 (2020)

Deuflhard, Peter ; Weiser, Martin

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Title: Numerische Mathematik 3 : Adaptive Lösung partieller Differentialgleichungen; 3

Author: Deuflhard, Peter

Contributer: Weiser, Martin

Edition: 2. Aufl.

Year of publication: 2020

Series Statement: Numerische Mathematik 3

ISBN: 978-3-11-069168-9

Type of Medium: Book

Language: German

URL: http://search.ebscohost.com/login.aspx?direct=true&db=nlebk&AN=2621406&site=ehost-live

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81

Book

Fachkunde Elektrotechnik / (2020)

Tkotz, Klaus ; Bumiller, Horst

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Title: Fachkunde Elektrotechnik /

Contributer: Tkotz, Klaus , Bumiller, Horst

Edition: 32. überarbeitete und erweiterte Auflage

Year of publication: 2020

Pages: 696 S. +

Series Statement: Europa-Fachbuchreihe für elektrotechnische Berufe

ISBN: 978-3-8085-3791-6

Type of Medium: Book

Language: German

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82

Book

Practical Git : Confident Git Through Practice (2020)

Abildskov, Johan

Berkeley :Apress,

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Title: Practical Git : Confident Git Through Practice

Author: Abildskov, Johan

Edition: First edition 2020

Publisher: Berkeley :Apress,

Year of publication: 2020

Pages: 181 Seiten

ISBN: 978-1-4842-6269-6

Type of Medium: Book

Language: English

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83

Book

High performance Python : practical performant programming for humans (2020)

Gorelick, Micha ; Ozsvald, Ian

Sebastopol :O'Reilly Media,

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Title: High performance Python : practical performant programming for humans

Author: Gorelick, Micha

Contributer: Ozsvald, Ian

Edition: Second edition

Publisher: Sebastopol :O'Reilly Media,

Year of publication: 2020

Pages: 444 Seiten

ISBN: 978-1-492-05502-0

Type of Medium: Book

Language: English

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84

Book

Surrogates : Gaussian process modeling, design, and optimization for the applied sciences (2020)

Gramacy, Robert B.

Boca Raton :CRC Press,

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Title: Surrogates : Gaussian process modeling, design, and optimization for the applied sciences

Author: Gramacy, Robert B.

Publisher: Boca Raton :CRC Press,

Year of publication: 2020

Pages: 543 Seiten

ISBN: 978-0-367-41542-6

Type of Medium: Book

Language: English

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85

Book

Cataloguing culture : legacies of colonialism in museum documentation (2020)

Turner, Hannah

Vancouver :UBC Press,

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Title: Cataloguing culture : legacies of colonialism in museum documentation

Author: Turner, Hannah

Publisher: Vancouver :UBC Press,

Year of publication: 2020

Pages: xiii, 243 Seiten

ISBN: 978-0-7748-6393-3

Type of Medium: Book

Language: English

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86

Book

¬The¬ artist in the machine : the world of AI-powered creativity (2020)

Miller, Arthur I.

Cambridge ; London :MIT Press,

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Title: ¬The¬ artist in the machine : the world of AI-powered creativity

Author: Miller, Arthur I.

Edition: First MIT Press paperback edition

Publisher: Cambridge ; London :MIT Press,

Year of publication: 2020

Pages: 432 399 Seiten

ISBN: 978-0-262-53962-3

Type of Medium: Book

Language: English

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87

Book

Using Python for introductory econometrics / (2020)

Heiss, Florian ; Brunner, Daniel

New York :Indipendantly Published,

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Title: Using Python for introductory econometrics /

Author: Heiss, Florian

Contributer: Brunner, Daniel

Edition: 1st edition

Publisher: New York :Indipendantly Published,

Year of publication: 2020

Pages: 418 Seiten

ISBN: 979-8-6484-3676-3

Type of Medium: Book

Language: English

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88

Book

Bürgerliches Gesetzbuch : mit Allgemeinem Gleichbehandlungsgesetz, Produkthaftungsgesetz, Unterlassungsklagengesetz, Wohnungseigentumsgesetz, Beurkundungsgesetz und Erbbaurechtsgesetz (2020)

Köhler, Helmut

München :dtv,

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Title: Bürgerliches Gesetzbuch : mit Allgemeinem Gleichbehandlungsgesetz, Produkthaftungsgesetz, Unterlassungsklagengesetz, Wohnungseigentumsgesetz, Beurkundungsgesetz und Erbbaurechtsgesetz

Contributer: Köhler, Helmut

Edition: 85., überarbeitete Auflage, Stand: 7. Januar 2020

Publisher: München :dtv,

Year of publication: 2020

Pages: XXXI, 847 Seiten

ISBN: 978-3-423-53023-1

Type of Medium: Book

Language: German

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89

Book

Leitfaden zur industriellen Bildverarbeitung /; 14 (2020)

Spinnler, Klaus ; Sackewitz, Michael [[Herausgeber]]

Fürth :Fraunhofer Verlag,

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Title: Leitfaden zur industriellen Bildverarbeitung /; 14

Author: Spinnler, Klaus

Contributer: Sackewitz, Michael , Fraunhofer-Allianz Vision, Erlangen [Herausgebendes Organ]

Edition: 3., überarb. Auflage

Publisher: Fürth :Fraunhofer Verlag,

Year of publication: 2020

Pages: 104 Seiten

Series Statement: Reihe Vision 14

ISBN: 978-3-8396-1649-9

Type of Medium: Book

Language: German

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90

Book

Ansible : das Praxisbuch für Administratoren und DevOps-Teams (2020)

Miesen, Axel

Bonn :Rheinwerk Computing,

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Title: Ansible : das Praxisbuch für Administratoren und DevOps-Teams

Author: Miesen, Axel

Edition: 1. Auflage

Publisher: Bonn :Rheinwerk Computing,

Year of publication: 2020

Pages: 395 Seiten

ISBN: 978-3-8362-7660-3

Type of Medium: Book

Language: German

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91

Book

Machine Learning meets Quantum Physics / (2020)

Schütt, Kristof ; Chmiela, Stefan ; Lilienfeld, O. Anatole von ; [et al.]

Berlin :Springer,

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Title: Machine Learning meets Quantum Physics /

Contributer: Schütt, Kristof , Chmiela, Stefan , Lilienfeld, O. Anatole von , Tkatchenko, Alexandre , Tsuda, Kōji , Müller, Klaus-Robert

Publisher: Berlin :Springer,

Year of publication: 2020

Pages: xvi, 467 Seiten

ISBN: 978-3-030-40244-0

Type of Medium: Book

Language: English

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92

Book

Create GUI Applications with Python & Qt5 (PyQt5 Edition) : The hands-on guide to making apps with Python (2020)

Fitzpatrick, Martin

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Title: Create GUI Applications with Python & Qt5 (PyQt5 Edition) : The hands-on guide to making apps with Python

Author: Fitzpatrick, Martin

Year of publication: 2020

Pages: 718 S.

ISBN: 979-8-58590-415-8

Type of Medium: Book

Language: English

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93

Book

Computergeschichte(n) : nicht nur für Nerds (2020)

Wolf, Jürgen

Bonn :Rheinwerk,

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Title: Computergeschichte(n) : nicht nur für Nerds

Author: Wolf, Jürgen

Publisher: Bonn :Rheinwerk,

Year of publication: 2020

Pages: 415 S

ISBN: 978-3-8362-7777-8

Type of Medium: Book

Language: German

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94

Book

¬Das¬ Befristungsrecht des wissenschaftlichen Personals an deutschen Hochschulen zwischen wissenschaftlicher Dynamik und sozialer Sicherheit : eine Untersuchung des Wissenschaftszeitvertragsgesetzes; 161 (2020)

Domke, Friedrun

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Title: ¬Das¬ Befristungsrecht des wissenschaftlichen Personals an deutschen Hochschulen zwischen wissenschaftlicher Dynamik und sozialer Sicherheit : eine Untersuchung des Wissenschaftszeitvertragsgesetzes; 161

Author: Domke, Friedrun

Edition: 1. Auflage

Year of publication: 2020

Pages: 392 Seiten

Series Statement: Arbeits- und Sozialrecht 161

ISBN: 978-3-8487-6654-3

Type of Medium: Book

Language: German

URL: Inhaltstext

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95

Book

Einstieg in Deep Reinforcement Learning : KI-Agenten mit Python und PyTorch programmieren (2020)

Zai, Alexander ; Brown, Brandon

München :Hanser Verlag,

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Title: Einstieg in Deep Reinforcement Learning : KI-Agenten mit Python und PyTorch programmieren

Author: Zai, Alexander

Contributer: Brown, Brandon

Publisher: München :Hanser Verlag,

Year of publication: 2020

Pages: 400 S.

ISBN: 978-3-446-45900-7

Type of Medium: Book

Language: German

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96

Book

c't wissen DOCKER & Co. 2020 : komplexe Software einfach einrichten (2020)

c't-Redaktion

Heise Zeitschriften Verlag,

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Title: c't wissen DOCKER & Co. 2020 : komplexe Software einfach einrichten

Author: c't-Redaktion

Publisher: Heise Zeitschriften Verlag,

Year of publication: 2020

Type of Medium: Book

Language: German

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97

Book

Skalierbare Container-Infrastrukturen : das Handbuch für Administratoren & DevOps-Teams, inkl. Docker und Container-Orchestrierung mit Kubernetes und OpenShift (2020)

Liebel, Oliver

Bonn :Rheinwerk,

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Title: Skalierbare Container-Infrastrukturen : das Handbuch für Administratoren & DevOps-Teams, inkl. Docker und Container-Orchestrierung mit Kubernetes und OpenShift

Author: Liebel, Oliver

Edition: 3., aktualisierte Auflage

Publisher: Bonn :Rheinwerk,

Year of publication: 2020

Pages: 1260 Seiten

ISBN: 978-3-8362-7772-3

Type of Medium: Book

Language: German

Keywords: CoreOS ; Docker ; Kubernetes ; OpenShift ; Skopeo ; Continous Delivery ; Hochverfügbarkeit ; Microservices ; Deployment ; Ansible ; Scale Out ; Nomad ; systemd ; Mesos ; Orchestrierung ; Buildah ; Suse

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Zuse Institute Berlin

98

Book

Surplex 307 Stücke Organische Chemie Molekülmodell Set : Wissenschaftliche Chemie Atom molekulare Modelle Links Lehre Kit anorganische Strukturen Atom Link Model für Lehrer Studenten Chemieunterricht (2020)

Surplex,

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Title: Surplex 307 Stücke Organische Chemie Molekülmodell Set : Wissenschaftliche Chemie Atom molekulare Modelle Links Lehre Kit anorganische Strukturen Atom Link Model für Lehrer Studenten Chemieunterricht

Publisher: Surplex,

Year of publication: 2020

Type of Medium: Book

Language: German

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Zuse Institute Berlin

99

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On the performance of NLP solvers within global MINLP solvers (2018)

Müller, Benjamin ; Kuhlmann, Renke ; Vigerske, Stefan

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Publication Date: 2020-08-05

Description: Solving mixed-integer nonlinear programs (MINLPs) to global optimality efficiently requires fast solvers for continuous sub-problems. These appear in, e.g., primal heuristics, convex relaxations, and bound tightening methods. Two of the best performing algorithms for these sub-problems are Sequential Quadratic Programming (SQP) and Interior Point Methods. In this paper we study the impact of different SQP and Interior Point implementations on important MINLP solver components that solve a sequence of similar NLPs. We use the constraint integer programming framework SCIP for our computational studies.

Language: English

Type: conferenceobject , doc-type:conferenceObject

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100

Unknown

Lossy data compression reduces communication time in hybrid time-parallel integrators (2018)

Fischer, Lisa ; Götschel, Sebastian (Dr.) ; Weiser, Martin (Dr.)

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Publication Date: 2022-01-07

Description: Parallel in time methods for solving initial value problems are a means to increase the parallelism of numerical simulations. Hybrid parareal schemes interleaving the parallel in time iteration with an iterative solution of the individual time steps are among the most efficient methods for general nonlinear problems. Despite the hiding of communication time behind computation, communication has in certain situations a significant impact on the total runtime. Here we present strict, yet no sharp, error bounds for hybrid parareal methods with inexact communication due to lossy data compression, and derive theoretical estimates of the impact of compression on parallel efficiency of the algorithms. These and some computational experiments suggest that compression is a viable method to make hybrid parareal schemes robust with respect to low bandwidth setups.

Language: English

Type: article , doc-type:article

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