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Vehicle rotation planning is a fundamental problem in rail transport. It decides how the railcars, locomotives, and carriages are operated in order to implement the trips of the timetable. One important planning requirement is operational regularity, i.e., using the rolling stock in the same way on every day of operation. We propose to take regularity into account by modeling the vehicle rotation planning problem as a minimum cost hyperassignment problem (HAP). Hyperassignments are generalizations of assignments from directed graphs to directed hypergraphs. Finding a minimum cost hyperassignment is NP-hard. Most instances arising from regular vehicle rotation planning, however, can be solved well in practice. We show that, in particular, clique inequalities strengthen the canonical LP relaxation substantially.
We investigate a nonstandard phase field
model of Cahn-Hilliard type. The model, which was introduced in
[16], describes two-species phase segregation and consists of a
system of two highly nonlinearly coupled PDEs. It has been studied
recently in
[5], [6] for the case of homogeneous Neumann
boundary conditions. In this paper, we investigate the case that the
boundary condition for one of the unknowns of the system is of third
kind and nonhomogeneous. For the resulting system, we show
well-posedness, and we study optimal boundary control
problems. Existence of optimal controls is shown, and the first-order
necessary optimality conditions are derived. Owing to the strong
nonlinear couplings in the PDE system, standard arguments of optimal
control theory do not apply directly, although the control constraints
and the cost functional will be of standard type.
This paper is concerned with a diffusion model of phase-field type, consisting
of a {parabolic} system of two partial differential equations{,} interpreted as balances
of microforces and microenergy{, for two unknowns: the problem's order parameter $\rho$}
and the chemical potential $\mu$; each equation includes a viscosity term -- respectively, $\varepsilon \,\partial_t\mu$ and $\delta\,\partial_t\rho$ -- with $\varepsilon$ and $\delta$ two positive parameters; the field equations are complemented by Neumann homogeneous boundary conditions and suitable initial conditions. In a recent paper \cite{CGPS3}, we proved that this problem is \wepo\ and investigated the \loti\ \bhv\ of its $(\varepsilon,\delta)-$solutions. Here we discuss the asymptotic limit of the system as $\eps$
tends to $0$. We prove convergence of
$(\varepsilon,\delta)-$solutions to the corresponding solutions for
the case $\eps =0$, whose long-time behavior we characterize; in the
proofs, we employ compactness and monotonicity arguments.
We study the expansion of the eigenfunctions of Schrödinger operators with smooth confinement potentials in Hermite functions; confinement potentials are potentials that become unbounded at infinity. The key result is that such eigenfunctions and all their derivatives decay more rapidly than any exponential function under some mild growth
conditions to the potential and its derivatives. Their expansion in Hermite functions converges therefore very fast, super-algebraically.
The mixed regularity of electronic wave functions in fractional order and weighted Sobolev spaces
(2012)
The paper continues the study of the regularity of electronic wave functions in Hilbert spaces of mixed derivatives. It is shown that the eigenfunctions of electronic Schr\"odinger operators and their
exponentially weighted counterparts possess, roughly speaking, square integrable mixed weak derivatives of fractional order $\vartheta$ for $\vartheta<3/4$. The bound $3/4$ is best possible and can neither be reached nor surpassed. Such results are important for the study
of sparse grid-like expansions of the wave functions and show that their asymptotic convergence rate measured in terms of the number of ansatz functions involved does not deteriorate with the number of electrons.
We present Undercover, a primal heuristic for nonconvex mixed-integer nonlinear programming (MINLP) that explores a mixed-integer linear subproblem (sub-MIP) of a given MINLP. We solve a vertex covering problem to identify a minimal set of variables that need to be fixed in order to linearize each constraint, a so-called cover. Subsequently, these variables are fixed to values obtained from a reference point, e.g., an optimal solution of a linear relaxation. We apply domain propagation and conflict analysis to try to avoid infeasibilities and learn from them, respectively. Each feasible solution of the sub-MIP corresponds to a feasible solution of the original problem.
We present computational results on a test set of mixed-integer quadratically constrained programs (MIQCPs) and general MINLPs from MINLPLib. It turns out that the majority of these instances allow for small covers. Although general in nature, the heuristic appears most promising for MIQCPs, and complements nicely with existing root node heuristics in different state-of-the-art solvers.
Im Zuge der Übernahme von 6 Linien der Havelbus Verkehrsgesellschaft mbH durch die ViP Verkehr in Potsdam GmbH ergab sich 2009 die Notwendigkeit der Entwicklung eines neuen Linien- und Taktplans für das Jahr 2010. Das Konrad-Zuse-Zentrum für Informationstechnik Berlin (ZIB) entwickelt in einem Projekt des DFG-Forschungszentrums Matheon ein Verfahren zur mathematischen Linienoptimierung. Dieses Tool wurde bei der Optimierung des ViP Linienplans 2010 in einer projektbegleitenden Studie eingesetzt, um Alternativen bei verschiedenen Planungs- und Zielvorgaben auszuloten. In dem Artikel wird eine Auswertung der Ergebnisse mit dem Verkehrsanalysesystem Visum der PTV AG beschrieben. Die Auswertungen bestätigen, dass mit Hilfe von mathematischer Optimierung eine weitere Verkürzung der Reisezeit um 1%, eine als um 6% verkürzt empfundene Reisezeit, 10% weniger Fahrzeit im Fahrzeug und eine gleichzeitige Kostenreduktion um 5% möglich sind
The slow processes of metastable stochastic dynamical systems are difficult to access by direct numerical simulation due the sampling problem. Here, we suggest an approach for modeling the slow parts of Markov processes by approximating the dominant eigenfunctions and eigenvalues of the propagator. To this end, a variational principle is derived that is based on the maximization of a Raleigh coefficient. It is shown that this Raleigh coefficient can be estimated from statistical observables that can be obtained from short distributed simulations starting from different parts of state space. The approach forms a basis for the development of adaptive and efficient computational algorithms for simulating and analyzing metastable Markov processes while avoiding the sampling problem. Since any stochastic process with finite memory can be transformed into a Markov process, the approach is applicable to a wide range of processes relevant for modeling complex real-world phenomena.
Folding and conformational changes of macromolecules often require the generation of large amounts of simulation data that are difficult to ana- lyze. Markov state models (MSMs) address this challenge by providing a systematic way to decompose the state space of the molecular system into substates and to estimate a transition matrix containing the transi- tion probabilities between these substates. This transition matrix can be analyzed to reveal the metastable, i.e. long-living, states of the system, its slowest relaxation timescales and transition pathways and rates e.g. from unfolded to folded, or from dissociated to bound states. To reduce the technical burden of constructing such MSMs we provide the software framework EMMA (available at https://simtk.org/home/emma) to con- struct, validate and analyse such Markov State Models.
While seemingly straightforward in principle, the reliable estimation of rate constants is seldom easy in practice. Numerous issues, such as the complication of poor reaction coordinates, cause obvious approaches to yield unreliable estimates. When a reliable order parameter is available, the reactive flux theory of Chandler allows the rate constant to be extracted from the plateau region of an appropriate reactive flux correlation function. However, when applied to real data from single- molecule experiments or molecular dynamics simulations, the reactive flux correlation function requires the numerical differentiation of a noisy empirical correlation function, which can result in an unacceptably poor estimate of the rate and pathological dependence on the sampling interval. We present a modified version of this theory which does not require numerical derivatives, allowing rate constants to be robustly estimated from the time-correlation function directly. We illustrate the approach using single-molecule passive force spectroscopy measurements of an RNA hairpin.
Single-molecule force spectroscopy has proven to be a powerful tool for studying the kinetic be- havior of biomolecules. Through application of an external force, conformational states with small or transient populations can be stabilized, allowing them to be characterized and the statistics of in- dividual trajectories studied to provide insight into biomolecular folding and function. Because the observed quantity (force or extension) is not necessarily an ideal reaction coordinate, individual ob- servations cannot be uniquely associated with kinetically distinct conformations. While maximum- likelihood schemes such as hidden Markov models have solved this problem for other classes of single-molecule experiments by using temporal information to aid in the inference of a sequence of distinct conformational states, these methods do not give a clear picture of how precisely the model parameters are determined by the data due to instrument noise and finite-sample statistics, both sig- nificant problems in force spectroscopy. We solve this problem through a Bayesian extension that allows the experimental uncertainties to be directly quantified, and build in detailed balance to fur- ther reduce uncertainty through physical constraints. We illustrate the utility of this approach in characterizing the three-state kinetic behavior of an RNA hairpin in a stationary optical trap.
In multicriteria optimization, a compromise solution is a feasible solution whose
cost vector minimizes the distance to the ideal point w.r.t. a given norm. The coor-
dinates of the ideal point are given by the optimal values for the single optimization
problem for each criterion.
We show that the concept of compromise solutions ts nicely into the existing
notion of Pareto optimality: For a huge class of norms, every compromise solution
is Pareto optimal, and under certain conditions on the norm all Pareto optimal so-
lution are also a compromise solution, for an appropriate weighting of the criteria.
Furthermore, under similar conditions on the norm, the existence of an FPTAS for
compromise solutions guarantees the approximability of the Pareto set.
These general results are completed by applications to classical combinatorial
optimization problems. In particular, we study approximation algorithms for the
multicriteria shortest path problem and the multicriteria minimum spanning tree
problem. On the one hand, we derive approximation schemes for both problems, on
the other hand we show that for the latter problem simple approaches like local search
and greedy techniques do not guarantee good approximation factors.
We solve Skorokhod's embedding problem for Brownian motion with linear drift $(W_t+ \kappa t)_{t\geq 0}$ by means of techniques of stochastic control theory. The search for a stopping time
$T$ such that the law of $W_T + \kappa T$ coincides with a prescribed law $\mu$ possessing the first
moment is based on solutions of backward stochastic differential equations of quadratic
type. This new approach generalizes an approach by Bass [Bas] of the classical version of
Skorokhod's embedding problem using martingale representation techniques.
We consider a dynamical system described by the differential equation $\dot{Y}_t = -U^'(Y_t)$
with a unique stable point at the origin. We perturb the system by L\'evy noise of
intensity $\varepsilon$, to obtain the stochastic differential equation $dX^\varepsilon_t = -U^'(X^\varepsilon_{t-})dt + \varepsilon dL_t}.
The process $L$ is a symmetric L\'evy process whose jump measure $\nu$ has exponentially
light tails, $\nu([u, \infty))\sim exp(-u^\alpha), \alpha > 0, u \to\infty$. We study the first exit problem for
the trajectories of the solutions of the stochastic differential equation from the interval
$[-1, 1]$. In the small noise limit $\varepsilon\to 0$ we determine the law and the mean value of the
first exit time, to discover an intriguing phase transition at the critical index $\alpha = 1$.
In a strong constant electric field, a dielectric particle immersed in a weakly conducting fluid exhibits spontaneous rotations. This phenomenon is known under the name of the Quincke effect. In the original setup the particle was suspended on a silk thread and performed torsional oscillations of remarkably high amplitude. We derive the governing equations for this experiment, and ascertain
that onset of oscillations from the quiescent state corresponds to the supercritical Hopf bifurcation.
For the case of a soft thread, we characterize the regime of large-scale torsional relaxation oscillations:
explicit estimates are derived for their period and amplitude, effects of bifurcation delay are described. In a stronger electric field, these relaxation oscillations yield to small-scale erratic rotations of the pendulum.
Markov state models have become very popular for the description of conformation dynamics of molecules over
long timescales. The construction of such models requires a partitioning of the configuration space such that the discretization
can serve as an approximation of metastable conformations. Since the computational complexity for the construction of a
Markov state model increases quadratically with the number of sets, it is desirable to obtain as few sets as necessary. In this
paper we propose an algorithm for the adaptive refinement of an initial coarse partitioning. A spectral clustering method is
applied to the final partitioning to detect the metastable conformations. We apply this method to the conformation analysis of
a model tri-peptide molecule, where metastable beta- and gamma-turn conformations can be identified.
Supercomputers can simulate complex molecular systems. However, there is a very large gap between the fastest oscillations of covalent bonds of a molecule and the time-scale of the dominant processes. In order to extract the dominant time-scales and to identify the dominant processes, a clustering of information is needed. This thesis shows that only the subspace-based Robust Perron Cluster Analysis (PCCA+) can solve this problem correctly by the construction of a Markov State Model. PCCA+ allows for time-extrapolation in molecular kinetics. This thesis shows the difference between molecular dynamics and molecular kinetics. Only in the molecular kinetics framework a definition of transition rates is possible. In this context, the existence of an infinitesimal generator of the dynamical processes is discussed. If the existence is assumed, the Theorem of Gauß can be applied in order to compute transition rates efficiently. Molecular dynamics, however, is not able to provide a suitable statistical basis for the determination of the transition pattern.
We introduce nonsmooth Schur-Newton methods for the solution of the nonlinear discrete saddle-point problems arising from discretized vector-valued Cahn-Hilliard equations with logarithmic and obstacle potentials. The discrete problems are obtained by semi-implicit discretization in time and a first order finite element discretization in space. We incorporate the linear constraints that enforce solutions to stay on the Gibbs simplex using Lagrangian multipliers and prove existence of these multipliers under the assumption of a non-trivial initial condition for the order parameters.
We formulate the static mechanical coupling of a geometrically exact Cosserat rod to an elastic continuum. The coupling conditions accommodate for the difference in dimension between the two models. Also, the Cosserat rod model incorporates director variables, which are not present in the elastic continuum model. Two alternative coupling conditions are proposed, which correspond to two different configuration trace spaces. For both we show existence of solutions of the coupled problems. We also derive the corresponding conditions for the dual variables and interpret them in mechanical terms.
Convergence Analysis of Smoothing Methods for Optimal Control of Stationary Variational Inequalities
(2012)
In the article an optimal control problem subject to a stationary variational inequality is investigated. The optimal control problem is complemented with pointwise
control constraints. The convergence of a smoothing scheme is analyzed. There, the variational inequality is replaced by a semilinear elliptic equation. It is shown that solutions of the regularized optimal control problem converge to solutions of the original one. Passing to
the limit in the optimality system of the regularized problem allows to prove C-stationarity of local solutions of the original problem. Moreover, convergence rates with respect to the regularization parameter for the error in the control are obtained. These rates coincide with
rates obtained by numerical experiments, which are included in the paper.
We derive a-priori estimates on the length of the primal-dual path that results from a Moreau-Yosida approximation of the feasible set for state constrained optimal control problems. These bounds depend on the regularity of the state and the dimension of the problem. Comparison with numerical results indicates that these bounds are sharp and are attained for the case of a single active point.
We analyze a remarkable class of centrally symmetric polytopes, the Hansen
polytopes of split graphs. We confirm Kalai's 3^d-conjecture for such polytopes
(they all have at least 3^d nonempty faces) and show that the Hanner polytopes
among them (which have exactly 3^d nonempty faces) correspond to threshold
graphs. Our study produces a new family of Hansen polytopes that have only
3^d+16 nonempty faces.
In this article we propose a novel approach to reduce the computational complexity
of the dual method for pricing American options. We consider a sequence of
martingales that converges to a given target martingale and decompose the original
dual representation into a sum of representations that correspond to dierent levels
of approximation to the target martingale. By next replacing in each representation
true conditional expectations with their Monte Carlo estimates, we arrive at what
one may call a multilevel dual Monte Carlo algorithm. The analysis of this algorithm
reveals that the computational complexity of getting the corresponding target upper
bound, due to the target martingale, can be signicantly reduced. In particular, it
turns out that using our new approach, we may construct a multilevel version of the
well-known nested Monte Carlo algorithm of Andersen and Broadie (2004) that is,
regarding complexity, virtually equivalent to a non-nested algorithm. The performance
of this multilevel algorithm is illustrated by a numerical example.
In this paper, we study the dual representation for generalized multiple stopping problems,
hence the pricing problem of general multiple exercise options. We derive a dual representation which allows for cashflows which are subject to volume constraints modeled by
integer valued adapted processes and refraction periods modeled by stopping times. As
such, this extends the works by Schoenmakers (2010), Bender (2011a), Bender (2011b),
Aleksandrov and Hambly (2010), and Meinshausen and Hambly (2004) on multiple exercise
options, which either take into consideration a refraction period or volume constraints, but
not both simultaneously. We also allow more flexible cashflow structures than the additive
structure in the above references. For example some exponential utility problems are covered
by our setting. We supplement the theoretical results with an explicit Monte Carlo algorithm
for constructing confidence intervals for the price of multiple exercise options and exemplify
it by a numerical study on the pricing of a swing option in an electricity market.
Optimal dual martingales, their analysis and application to new algorithms for Bermudan products
(2012)
In this paper we introduce and study the concept of optimal and surely
optimal dual martingales in the context of dual valuation of Bermudan
options, and outline the development of new algorithms in this context.
We provide a characterization theorem, a theorem which gives conditions
for a martingale to be surely optimal, and a stability theorem concerning martingales which are near to be surely optimal in a sense. Guided
by these results we develop a framework of backward algorithms for constructing such a martingale. In turn this martingale may then be utilized
for computing an upper bound of the Bermudan product. The methodology is pure dual in the sense that it doesn’t require certain (input)
approximations to the Snell envelope.
In an Ito-Levy environment we outline a particular regression based
backward algorithm which allows for computing dual upper bounds without nested Monte Carlo simulation. Moreover, as a by-product this algorithm also provides approximations to the continuation values of the
product, which in turn determine a stopping policy. Hence, we may obtain lower bounds at the same time.
In a first numerical study we demonstrate a backward dual regression algorithm in a Wiener environment that is easy to implement and
is regarding accuracy comparable with the method of Belomestny et. al.
(2009).
Primal-dual linear Monte Carlo algorithm for multiple stopping - An application to flexible caps
(2012)
In this paper we consider the valuation of Bermudan callable derivatives with
multiple exercise rights. We present in this context a new primal-dual linear
Monte Carlo algorithm that allows for ecient simulation of lower and upper price
bounds without using nested simulations (hence the terminology). The algorithm
is essentially an extension of a primal{dual Monte Carlo algorithm for standard
Bermudan options proposed in Schoenmakers et al. (2011), to the case of multiple
exercise rights. In particular, the algorithm constructs upwardly a system of dual
martingales to be plugged into the dual representation of Schoenmakers (2010).
At each level the respective martingale is constructed via a backward regression
procedure starting at the last exercise date. The thus constructed martingales are
nally used to compute an upper price bound. At the same time, the algorithm
also provides approximate continuation functions which may be used to construct
a price lower bound. The algorithm is applied to the pricing of
exible caps
in a Hull and White (1990) model setup. The simple model choice allows for
comparison of the computed price bounds with the exact price which is obtained
by means of a trinomial tree implementation. As a result, we obtain tight price
bounds for the considered application. Moreover, the algorithm is generically
designed for multi-dimensional problems and is tractable to implement.
We study minimal supersolutions of backward stochastic differential equations. We show the existence and uniqueness of the minimal supersolution, if the generator is jointly lower semicontinuous, bounded from below by an affine function of the control variable, and satisfies a specific normalization property. Semimartingale convergence is used to establish the main result.
We study a nonlinear operator defined via minimal supersolutions of backward stochastic differential equations with generators that are monotone in y, convex in z, jointly lower semicontinuous, and bounded below by an affine function of the control variable. We show existence, uniqueness, monotone convergence, Fatou’s Lemma and lower semicontinuity of this functional. We provide a comparison principle for the underlying minimal supersolutions of BSDEs, which we illustrate by maximizing expected exponential utility.
We provide results on the existence and uniqueness of equilibrium in dynamically incomplete financial markets in discrete time. Our framework allows for heterogeneous agents, unspanned random endowments and convex trading constraints. In the special case where all agents have preferences of the same type and all random endowments are replicable by trading in the financial market we show that a one-fund theorem holds and give an explicit expression for the equilibrium pricing kernel. If the underlying noise is generated by finitely many Bernoulli random walks, the equilibrium dynamics can be described by a system of coupled backward stochastic difference equations, which in the continuous-time limit becomes a multi-dimensional backward stochastic differential equation. If the market is complete in equilibrium, the system of equations decouples, but if not, one needs to keep track of the prices and continuation values of all agents to solve it. As an example we simulate option prices in the presence of stochastic volatility, demand pressure and short-selling constraints.
We consider a class of generalized capital asset pricing models in continuous time with a finite number of agents and tradable securities. The securities may not be sufficient to span all sources of uncertainty. If the agents have exponential utility functions and the individual endowments are spanned by the securities, an equilibrium exists and the agents’ optimal trading strategies are constant. Affine processes, and the theory of information-based asset pricing are used to model the endogenous asset price dynamics and the terminal payoff. The derived semi-explicit pricing formulae are applied to numerically analyze the impact of the agents’ risk aversion on the implied volatility of simultaneously-traded European-style options.
In the paradigm of VON N EUMANN AND M ORGENSTERN, a representation of affine pref-
erences in terms of an expected utility can be obtained under the assumption of weak continu-
ity. Since the weak topology is coarse, this requirement is a priori far from being negligible.
In this work, we replace the assumption of weak continuity by monotonicity. More precisely,
on the space of lotteries on an interval of the real line, it is shown that any affine preference
order which is monotone with respect to the first stochastic order admits a representation in
terms of an expected utility for some nondecreasing utility function. As a consequence, any
affine preference order on the subset of lotteries with compact support, which is monotone
with respect to the second stochastic order, can be represented in terms of an expected util-
ity for some nondecreasing concave utility function. We also provide such representations
for affine preference orders on the subset of those lotteries which fulfill some integrability
conditions. The subtleties of the weak topology are illustrated by some examples.
We consider backward stochastic differential equations with drivers of quadratic growth (qgBSDE). We prove several statements concerning path regularity and stochastic smooth-
ness of the solution processes of the qgBSDE, in particular we prove an extension of Zhang's path regularity theorem to the quadratic growth setting. We give explicit convergence rates for the difference between the solution of a qgBSDE and its truncation, filling an important gap in numerics for qgBSDE. We give an alternative proof of second order Malliavin differentiability for BSDE with drivers that are Lipschitz continuous (and differentiable), and
then derive the same result for qgBSDE.
We consider the problem of numerical approximation for forward-backward stochastic
differential equations with drivers of quadratic growth (qgFBSDE). To illustrate the significance
of qgFBSDE, we discuss a problem of cross hedging of an insurance related financial
derivative using correlated assets. For the convergence of numerical approximation schemes for
such systems of stochastic equations, path regularity of the solution processes is instrumental.
We present a method based on the truncation of the driver, and explicitly exhibit error estimates
as functions of the truncation height. We discuss a reduction method to FBSDE with globally
Lipschitz continuous drivers, by using the Cole-Hopf exponential transformation. We finally
illustrate our numerical approximation methods by giving simulations for prices and optimal
hedges of simple insurance derivatives.
The LIBOR market model is very popular for pricing inter-
est rate derivatives, but is known to have several pitfalls. In addition, if
the model is driven by a jump process, then the complexity of the drift
term is growing exponentially fast (as a function of the tenor length). In
this work, we consider a Levy-driven LIBOR model and aim at developing accurate and efficient log-Levy approximations for the dynamics of
the rates. The approximations are based on truncation of the drift term
and Picard approximation of suitable processes. Numerical experiments
for FRAs, caps and swaptions show that the approximations perform
very well. In addition, we also consider the log-Levy approximation of
annuities, which offers good approximations for high volatility regimes.
Optimal dual martingales, their analysis and application to new algorithms for Bermudan products
(2012)
In this paper we introduce and study the concept of optimal and surely
optimal dual martingales in the context of dual valuation of Bermudan
options, and outline the development of new algorithms in this context.
We provide a characterization theorem, a theorem which gives conditions
for a martingale to be surely optimal, and a stability theorem concerning martingales which are near to be surely optimal in a sense. Guided
by these results we develop a framework of backward algorithms for constructing such a martingale. In turn this martingale may then be utilized
for computing an upper bound of the Bermudan product. The methodology is pure dual in the sense that it doesn't require certain (input)
approximations to the Snell envelope.
In an Ito-Levy environment we outline a particular regression based
backward algorithm which allows for computing dual upper bounds with-
out nested Monte Carlo simulation. Moreover, as a by-product this algorithm also provides approximations to the continuation values of the
product, which in turn determine a stopping policy. Hence, we may obtain lower bounds at the same time.
In a first numerical study we demonstrate a backward dual regression algorithm in a Wiener environment that is easy to implement and
is regarding accuracy comparable with the method of Belomestny et. al.
(2009).
With an emphasis on generators with quadratic growth in the control variable we consider
measure solutions of BSDE, a solution concept corresponding to the notion of risk neutral
measure in mathematical finance. In terms of measure solutions, solving a BSDE reduces
to martingale representation with respect to an underlying filtration. Measure solutions
related to measures equivalent to the historical one provide classical solutions. We derive
the existence of measure solutions in scenarios in which the generating functions are just
continuous, of at most linear growth in the control variable (corresponding to generators of
at most quadratic growth in the usual sense), and with a random bound in the time parameter
whose stochastic integral is a BMO martingale. Our main tools include a stability property
of sequences of measure solutions, for which a limiting solution is obtained by means of the
weak convergence of measures.
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.
This paper deals with the computation of regular coderivatives of
solution maps associated with a frequently arising class of generalized equations.
The constraint sets are given by (not necessarily convex) inequalities,
and we do not assume linear independence of gradients to active constraints.
The achieved results enable us to state several versions of sharp necessary optimality
conditions in optimization problems with equilibria governed by such
generalized equations. The advantages are illustrated by means of examples.
The article investigates the relation between global solutions of hyperbolic balance laws and viscous balance laws on the circle. It is thematically located at the crossroads of hyperbolic and parabolic partial differential equations with one-dimensional space variable and periodic boundary conditions. The two equations are given by:
u_t+f(u)_x=g(u)
and
u_t+f(u)_x=e u_{xx}+g(u).
The main result of the paper corrects a result on the persistence of heteroclinic connections by Fan and Hale from 1995 when viscosity vanishes: The "Connection Lemma" states that a connection can only persist if the zero number of the source state is a multiple of the zero number of the target state. The "Cascading Theorem" then yields convergence of heteroclinic connections to a sequence of heteroclinic connections and stationary solutions in case of non-persistence.
In addition a full description of the connection problem of rotating waves on the parabolic attractor is given.
A capillary surface in a negative gravitational field describes the shape of the surface of a hanging drop in a capillary tube with wetting material on the bottom. Mathematical modeling leads to the volume- and obstacle-constrained minimization of a nonconvex nonlinear energy functional of mean curvature type which is unbounded from below. In 1984 Huisken proved the existence and regularity of local minimizers of this energy under the condition on gravitation being sufficiently weak. We prove convergence of a first order finite element approximation of these minimizers. Numerical results demonstrating the theoretic convergence order are given.
Flows over time and generalized flows are two advanced network flow models of utmost importance, as they incorporate two crucial features occurring in numerous real-life networks. Flows over time feature time as a problem dimension and allow to realistically model the fact that commodities (goods, information, etc.) are routed through a network over time. Generalized flows allow for gain/loss factors on the arcs that model physical transformations of a commodity due to leakage, evaporation, breeding, theft, or interest rates. Although the latter effects are usually time-bound, generalized flow models featuring a temporal dimension have never been studied in the literature.
In this paper we introduce the problem of computing a generalized maximum flow over time in networks with both gain factors and transit times on the arcs. While generalized maximum flows and maximum flows over time can be computed efficiently, our combined problem turns out to be NP-hard and even completely non-approximable. A natural special case is given by lossy networks where the loss rate per time unit is identical on all arcs. For this case we present a (practically efficient) FPTAS that also reveals a surprising connection to so-called earliest arrival flows.
We consider a basic subproblem which arises in line planning,
and is of particular importance in the context of a high system
load or robustness: How much can be routed maximally along all possible
lines? The essence of this problem is the Path Constrained Network
Flow (PCN) problem. We explore the complexity of this problem and
its dual. In particular we show for the primal that it is as hard to
approximate as MAX CLIQUE and for the dual that it is as hard to
approximate as SET COVER. We also prove that the PCN problem is
hard for special graph classes, interesting both from a complexity and
from a practical perspective. Finally, we present a special graph class
for which there is a polynomial-time algorithm.
We consider a sorting problem from railway optimization
called train classification: incoming trains are split up into their single
cars and reassembled to form new outgoing trains. Trains are subject
to delay, which may turn a prepared sorting schedule infeasible for the
disturbed situation. The classification methods applied today deal with
this issue by completely disregarding the input order of cars, which provides
robustness against any amount of disturbance but also wastes the
potential contained in the a priori knowledge about the input.
We introduce a new method that provides a feasible sorting schedule for
the expected input and allows to
flexibly insert additional sorting steps
if the schedule has become infeasible after revealing the disturbed input.
By excluding disruptions that almost never occur from our consideration,
we obtain a classification process that is quicker than the current railway
practice but still provides robustness against realistic delays. In fact, our
algorithm allows
flexibly trading off fast classification against high degrees
of robustness depending on the respective need. We further explore
this
flexibility in experiments on real-world traffic data, underlining our
algorithm improves on the methods currently applied in practice.
The knapsack problem is one of the basic problems in combinatorial optimization. In real-world applications it is often part of a more complex problem. Examples are machine capacities in production planning or bandwidth restrictions in telecommunication network design. Due to unpredictable future settings or erroneous data, parameters of such a subproblem are subject to uncertainties.
In high risk situations a robust approach should be chosen to deal with these uncertainties.
Unfortunately, classical robust optimization outputs solutions with little profit by prohibiting any adaption of the solution when the actual realization of the uncertain parameters is known.
This ignores the fact that in most settings minor changes to a previously determined solution are possible. To overcome these drawbacks we allow a limited recovery of a previously fixed item set as soon as the data are known by deleting at most k items and adding up to l new items.
We consider the complexity status of this recoverable robust knapsack problem and extend the classical concept of cover inequalities to obtain stronger polyhedral descriptions. Finally, we present two extensive computational studies to investigate the influence of parameters k and l to the objective and evaluate the effectiveness of our new class of valid inequalities.