Zobrazeno 1 - 10
of 400
pro vyhledávání: '"Chmiela, P."'
Autor:
Bolusani, Suresh, Besançon, Mathieu, Bestuzheva, Ksenia, Chmiela, Antonia, Dionísio, João, Donkiewicz, Tim, van Doornmalen, Jasper, Eifler, Leon, Ghannam, Mohammed, Gleixner, Ambros, Graczyk, Christoph, Halbig, Katrin, Hedtke, Ivo, Hoen, Alexander, Hojny, Christopher, van der Hulst, Rolf, Kamp, Dominik, Koch, Thorsten, Kofler, Kevin, Lentz, Jurgen, Manns, Julian, Mexi, Gioni, Mühmer, Erik, Pfetsch, Marc E., Schlösser, Franziska, Serrano, Felipe, Shinano, Yuji, Turner, Mark, Vigerske, Stefan, Weninger, Dieter, Xu, Lixing
The SCIP Optimization Suite provides a collection of software packages for mathematical optimization, centered around the constraint integer programming (CIP) framework SCIP. This report discusses the enhancements and extensions included in the SCIP
Externí odkaz:
http://arxiv.org/abs/2402.17702
A standard tool for modelling real-world optimisation problems is mixed-integer programming (MIP). However, for many of these problems, information about the relationships between variables is either incomplete or highly complex, making it difficult
Externí odkaz:
http://arxiv.org/abs/2312.08074
Recent years have seen vast progress in the development of machine learned force fields (MLFFs) based on ab-initio reference calculations. Despite achieving low test errors, the reliability of MLFFs in molecular dynamics (MD) simulations is facing gr
Externí odkaz:
http://arxiv.org/abs/2309.15126
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-16 (2024)
Abstract Recent years have seen vast progress in the development of machine learned force fields (MLFFs) based on ab-initio reference calculations. Despite achieving low test errors, the reliability of MLFFs in molecular dynamics (MD) simulations is
Externí odkaz:
https://doaj.org/article/98532716028b429ba2e1dcb0cf4e4a47
Autor:
Mexi, Gioni, Besançon, Mathieu, Bolusani, Suresh, Chmiela, Antonia, Hoen, Alexander, Gleixner, Ambros
We introduce Scylla, a primal heuristic for mixed-integer optimization problems. It exploits approximate solves of the Linear Programming relaxations through the matrix-free Primal-Dual Hybrid Gradient algorithm with specialized termination criteria,
Externí odkaz:
http://arxiv.org/abs/2307.03466
Mixed Integer Programming (MIP) is NP-hard, and yet modern solvers often solve large real-world problems within minutes. This success can partially be attributed to heuristics. Since their behavior is highly instance-dependent, relying on hard-coded
Externí odkaz:
http://arxiv.org/abs/2304.03755
Autor:
Bestuzheva, Ksenia, Besançon, Mathieu, Chen, Wei-Kun, Chmiela, Antonia, Donkiewicz, Tim, van Doornmalen, Jasper, Eifler, Leon, Gaul, Oliver, Gamrath, Gerald, Gleixner, Ambros, Gottwald, Leona, Graczyk, Christoph, Halbig, Katrin, Hoen, Alexander, Hojny, Christopher, van der Hulst, Rolf, Koch, Thorsten, Lübbecke, Marco, Maher, Stephen J., Matter, Frederic, Mühmer, Erik, Müller, Benjamin, Pfetsch, Marc E., Rehfeldt, Daniel, Schlein, Steffan, Schlösser, Franziska, Serrano, Felipe, Shinano, Yuji, Sofranac, Boro, Turner, Mark, Vigerske, Stefan, Wegscheider, Fabian, Wellner, Philipp, Weninger, Dieter, Witzig, Jakob
The SCIP Optimization Suite provides a collection of software packages for mathematical optimization centered around the constraint integer programming framework SCIP. The focus of this paper is on the role of the SCIP Optimization Suite in supportin
Externí odkaz:
http://arxiv.org/abs/2303.07101
Publikováno v:
Management Systems in Production Engineering, Vol 32, Iss 2, Pp 192-201 (2024)
The European Green Deal (EU Green Deal) has set the direction for the EU’s energy transition towards climate neutrality by 2050. In Poland, this means moving away from the extraction and use of coal. The Social Contract for the Mining Industry sign
Externí odkaz:
https://doaj.org/article/a2359a55c5c44048b35f9e8832285562
Autor:
Bestuzheva, Ksenia, Chmiela, Antonia, Müller, Benjamin, Serrano, Felipe, Vigerske, Stefan, Wegscheider, Fabian
For over ten years, the constraint integer programming framework SCIP has been extended by capabilities for the solution of convex and nonconvex mixed-integer nonlinear programs (MINLPs). With the recently published version 8.0, these capabilities ha
Externí odkaz:
http://arxiv.org/abs/2301.00587
Publikováno v:
Journal of Chemical Theory and Computation (2023)
Kernel machines have sustained continuous progress in the field of quantum chemistry. In particular, they have proven to be successful in the low-data regime of force field reconstruction. This is because many equivariances and invariances due to phy
Externí odkaz:
http://arxiv.org/abs/2212.12737