G. Mathematics of Computing
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We show that a class of semidefinite programs (SDP) admits a solution that is a positive semidefinite
matrix of rank at most $r$, where $r$ is the rank of the matrix involved in the objective function of the SDP.
The optimization problems of this class are semidefinite packing problems,
which are the SDP analogs to vector packing problems.
Of particular interest is the case in which our result guarantees the existence of a solution
of rank one: we show that the computation of this solution actually reduces to a
Second Order Cone Program (SOCP).
We point out an application in statistics, in the optimal design of experiments.
In this paper, we study the hop constrained chain polytope, that is, the convex hull of the incidence vectors of (s,t)-chains using at most k arcs of a given digraph, and its dominant. We use extended formulations (implied by the inherent structure of the Moore-Bellman-Ford algorithm) to derive facet defining inequalities for these polyhedra via projection. Our findings result into characterizations of all facet defining {0,+1,-1}-inequalities for the hop constrained chain polytope and all facet defining {0,1}-inequalities
for its dominant. Although the derived inequalities are already known, such classifications were not previously given to the best of our knowledge. Moreover, we use this approach to generalize so called jump inequalities, which have been introduced in a paper of Dahl and Gouveia in 2004.
This thesis is about mathematical optimization for the efficient use of railway infrastructure. We address the
optimal allocation of the available railway track capacity - the track allocation problem.
This track allocation problem is a major challenge for a railway company, independent of
whether a free market, a private monopoly, or a public monopoly is given.
Planning and operating railway transportation systems is extremely hard due
to the combinatorial complexity of the underlying discrete optimization problems,
the technical intricacies, and the immense sizes of the problem instances. Mathematical models and optimization
techniques can result in huge gains for both railway customers and operators, e.g.,
in terms of cost reductions or service quality improvements.
We tackle this challenge by developing novel mathematical models and associated innovative algorithmic
solution methods for large scale instances. This allows us to produce for the first time reliable
solutions for a real world instance, i.e., the Simplon corridor in Switzerland.
The opening chapter gives a comprehensive overview on railway planning problems.
This provides insights into the regulatory and technical framework,
it discusses the interaction of several planning steps, and identifies optimization potentials in
railway transportation. The remainder of the thesis is comprised of two major parts.
The first part is concerned with modeling railway systems to allow for resource and capacity analysis.
Railway capacity has basically two dimensions, a space dimension which are the physical
infrastructure elements as well as a time dimension that refers to the train movements, i.e.,
occupation or blocking times, on the physical infrastructure. Railway safety systems operate
on the same principle all over the world. A train has to reserve infrastructure blocks for some time to pass through.
Two trains reserving the same block of the infrastructure within the same point in time is called block conflict.
Therefore, models for railway capacity involve the definition
and calculation of reasonable running and associated reservation and
blocking times to allow for a conflict free allocation.
In the second and main part of the thesis, the optimal track
allocation problem for macroscopic models of the railway system is considered.
The literature for related problems is surveyed.
A graph-theoretic model for the track allocation problem is
developed. In that model optimal track allocations correspond to
conflict-free paths in special time-expanded graphs.
Furthermore, we made considerable progress on solving track allocation problems by two
main features - a novel modeling approach for the macroscopic track
allocation problem and algorithmic improvements based on the
utilization of the bundle method.
Finally, we go back to practice and present in the last chapter several case
studies using the tools netcast and tsopt.
We provide a computational comparison of
our new models and standard packing models used in the literature.
Our computational experience indicates that our approach, i.e.,
``configuration models'', outperforms other models. Moreover, the rapid branching
heuristic and the bundle method enable us to produce high quality solutions for very large scale
instances, which has not been possible before.
In addition, we present results for a theoretical and rather visionary auction framework
for track allocation. We discuss several auction design questions and analyze experiments of
various auction simulations.
The highlights are results for the Simplon corridor in Switzerland.
We optimized the train traffic through this tunnel using our models and
software tools.
To the best knowledge of the author and confirmed by several railway
practitioners this was the first time that fully automatically produced
track allocations on a macroscopic scale fulfill the requirements
of the originating microscopic model, withstand the evaluation in the
microscopic simulation tool OpenTrack, and exploit the infrastructure capacity.
This documents the success of our approach in practice and the usefulness
and applicability of mathematical optimization to railway track allocation.
„Diskrete Mathematik, was ist das?“, ist eine typische Frage von Lehrern mit traditioneller Mathematikausbildung, denn dort kam und kommt diskrete Mathematik kaum vor. Die etwas Aufgeschlosseneren fragen: „Wenn (schon wieder) etwas Neues unterrichtet werden soll, was soll denn dann im Lehrplan gestrichen werden?“ Auf die zweite Frage wird hier nicht eingegangen. Das Ziel dieses Aufsatzes ist es, in diskrete Mathematik einzuführen, Interesse an diesem Fachgebiet zu wecken und dazu anzuregen, dieses auch im Schulunterricht (ein wenig) zu berücksichtigen. Die Schüler und Schülerinnen werden dafür dankbar sein – eine Erfahrung, die in vielen Unterrichtsreihen gemacht wurde.
Particle methods have become indispensible in conformation dynamics to
compute transition rates in protein folding, binding processes and
molecular design, to mention a few.
Conformation dynamics requires at a decomposition of a molecule's position
space into metastable conformations.
In this paper, we show how this decomposition
can be obtained via the design of either ``soft'' or ``hard''
molecular conformations.
We show, that the soft approach results in a larger metastabilitiy of
the decomposition and is thus more advantegous. This is illustrated
by a simulation of Alanine Dipeptide.