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- aptitude tests (1)
- archaeomagnetism (1)
- articulation (1)
- association (1)
- asteroseismology (1)
- asymptotic approximation (1)
- asymptotic expansions (1)
- asymptotic methods (1)
- asymptotic properties of eigenfunctions (1)
- asymptotic stable (1)
- asymptotical normal distribution (1)
- asymptotics (1)
- asymptotics of solutions (1)
- asymptotische Entwicklung (1)
- asymptotische Normalverteilung (1)
- attenuated Radon transform (1)
- aurora (1)
- autonomic nervous system (1)
- backtrajectories; (1)
- backward heat problem (1)
- balanced dynamics (1)
- bar with variable cross-section (1)
- basic ideas ('Grundvorstellungen') (1)
- bayessche Inferenz (1)
- bedingter Erwartungswert (1)
- bending of an orthotropic cusped plate (1)
- beta-functions (1)
- binding (1)
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- black hole (1)
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- body mass index procedure (1)
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- bridges of random walks (1)
- bundles (1)
- calculation (1)
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- canonical discretization schemes (1)
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- coercivity (1)
- coherent set (1)
- collegial supervision (1)
- coloration of terms (1)
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- companies (1)
- comparison principle (1)
- completeness (1)
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- complex systems (1)
- composition of terms (1)
- composition operator (1)
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- compound polyhedra (1)
- compressible Euler equations (1)
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- condition number (1)
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- conditional Wiener measure (1)
- conditional expectation value (1)
- conditioned (1)
- conditioned Feller diffusion (1)
- conditions (1)
- conditions of success (1)
- confidence interval (1)
- confidence intervals (1)
- congruence (1)
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- conormal asymptotic expansions (1)
- conormal asymptotics (1)
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- continuity in Sobolev spaces with double weights (1)
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- continuous time Markov chain (1)
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- convergence assessment (1)
- convergence rate (1)
- corner parametrices (1)
- corona virus (1)
- correlated noise (1)
- cortisol (1)
- coupled solution (1)
- covering (1)
- critical and subcritical Dawson-Watanabe process (1)
- criticality theorem (1)
- crohn's disease (1)
- crossed product (1)
- curvature varifold (1)
- cusp (1)
- cusped bar (1)
- das Cauchyproblem (1)
- das Goursatproblem (1)
- das charakteristische Cauchyproblem (1)
- data-driven (1)
- dbar-Neumann problem (1)
- de Sitter model ; Fundamental solutions ; Decay estimates (1)
- decay of eigenfunctions (1)
- decomposition (1)
- deformation quantization (1)
- degenerate elliptic equations (1)
- degenerate elliptic systems (1)
- delaney-dress tiling theory (1)
- density estimation (1)
- density of a measure (1)
- design elements (1)
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- determinant (1)
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- determinantische Punktprozesse (1)
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- die linearisierte Einsteingleichung (1)
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- diffusion process (1)
- dimension functional (1)
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- disagreement percolation (1)
- discontinuous Robin condition (1)
- discontinuous drift (1)
- discrete Schrodinger (1)
- discrete Witten complex (1)
- discrete saymptotic types (1)
- discrete spectrum (1)
- disease activity (1)
- disjunction of identities (1)
- diskontinuierliche Drift (1)
- diskreter Witten-Laplace-Operator (1)
- distorted Brownian motion (1)
- distribution (1)
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- distributional boundary (1)
- distributions with one-sided support (1)
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- divisors (1)
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- doppelsemigroup (1)
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- duale IT-Ausbildung (1)
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- early mathematical education (1)
- earthquake precursor (1)
- edge Sobolev spaces (1)
- edge algebra (1)
- edge boundary value problems (1)
- edge quantizations (1)
- edge spaces (1)
- edge symbol (1)
- edge- and corner-degenerate symbols (1)
- eigenfunction (1)
- eigenvalue asymptotics (1)
- eigenvalue decay (1)
- eigenvalues (1)
- elastic bar (1)
- elasticity (1)
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- elliptic boundary (1)
- elliptic boundary conditions (1)
- elliptic complex (1)
- elliptic differential operators of firstorder (1)
- elliptic equation (1)
- elliptic functions (1)
- elliptic morphism (1)
- elliptic operators in subspaces (1)
- elliptic operators on non-compact manifolds (1)
- elliptic problem (1)
- elliptic problems (1)
- elliptic quasicomplexes (1)
- elliptic systems (1)
- ellipticity in the edge calculus (1)
- ellipticity of cone operators (1)
- ellipticity of corners operators (1)
- ellipticity with interface conditions (1)
- ellipticity with parameter (1)
- ellipticity with respect to interior and edge symbols (1)
- elliptische Gleichungen (1)
- elliptische Quasi-Komplexe (1)
- embedded Markov chain (1)
- embeddings (1)
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- endomorphism semigroup (1)
- energetic space (1)
- enlargement of filtration (1)
- ensembles (1)
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- equatorial ionosphere (1)
- equatorial plasma bubbles (1)
- equivalence (1)
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- ergodic rates (1)
- error diagram (1)
- erste Variation (1)
- essential position in terms (1)
- estimation of regression (1)
- eta forms (1)
- exact simulation method (1)
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- exact solution (1)
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- exponential function (1)
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- exterior tensor product (1)
- extinction probability (1)
- eye movements (1)
- false discovery rate (1)
- fat-free mass (1)
- feedback (1)
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- fibration (1)
- fibre coordinates (1)
- fibroblasts (1)
- field-aligned currents (1)
- filtering (1)
- finite transformation semigroup (1)
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- flocking (1)
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- generalized Laplace operator (1)
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- global exact boundary controllability (1)
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- highly (1)
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- hitting times (1)
- holomorphic function (1)
- holonomic constraints (1)
- host-parasite stochastic particle system (1)
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- hybrids (1)
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- illposed problem (1)
- indecomposable varifold (1)
- independent splittings (1)
- index formula (1)
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- index of stability (1)
- inegral formulas (1)
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- initial boundary value problem (1)
- instability of the process (1)
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- intrinsischer Diameter (1)
- invariance (1)
- invariant (1)
- inverse Probleme (1)
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- isoperimetric estimates (1)
- isoperimetric inequality (1)
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- iterated asymptotics (1)
- jump processes (1)
- k-means clustering (1)
- kanten- und ecken-entartete Symbole (1)
- kernel estimator of the hazard rate (1)
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- kernel-based Bayesian inference (1)
- kernel-basierte Bayes'sche Inferenz (1)
- kleine Parameter (1)
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- least favorable configuration (1)
- least squares estimator (1)
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- lifespan (1)
- likelihood function (1)
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- limit theorem for integrated squared difference (1)
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- locally indicable (1)
- locally indicable group (1)
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- logarithmic residue (1)
- logic (1)
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- logistische Regression (1)
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- magnetisch (1)
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- makromolekularer Zerfall (1)
- manifold (1)
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- manifolds with boundary (1)
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- manifolds with edge (1)
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- mit Anwendungen in der Laufzeittomographie, Seismischer Quellinversion und Magnetfeldmodellierung (1)
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- new recursive algorithm (1)
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- optimal order (1)
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- order continuous norm (1)
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- order reduction (1)
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- permanental and determinantal point processes (MSC 2010) 35K55 (1)
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Institute
- Institut für Mathematik (2140) (remove)
This paper reports on the historical development of the Runge-Kutta methods beginning with the simple Euler method up to an embedded 13-stage method. Moreover, the design and the use of those methods under error order, stability and computation time conditions is edited for students of numerical analysis at undergraduate level. The second part presents applications in natural sciences, compares different methods and illustrates some of the difficulties of numerical solutions.
The estimation of a log-concave density on R is a canonical problem in the area of shape-constrained nonparametric inference. We present a Bayesian nonparametric approach to this problem based on an exponentiated Dirichlet process mixture prior and show that the posterior distribution converges to the log-concave truth at the (near-) minimax rate in Hellinger distance. Our proof proceeds by establishing a general contraction result based on the log-concave maximum likelihood estimator that prevents the need for further metric entropy calculations. We further present computationally more feasible approximations and both an empirical and hierarchical Bayes approach. All priors are illustrated numerically via simulations.
In 1914 Bohr proved that there is an r ∈ (0, 1) such that if a power series converges in the unit disk and its sum has modulus less than 1 then, for |z| < r, the sum of absolute values of its terms is again less than 1. Recently analogous results were obtained for functions of several variables. The aim of this paper is to comprehend the theorem of Bohr in the context of solutions to second order elliptic equations meeting the maximum principle.
The paper is devoted to pseudodifferential boundary value problems in domains with singular points on the boundary. The tangent cone at a singular point is allowed to degenerate. In particular, the boundary may rotate and oscillate in a neighbourhood of such a point. We show a criterion for the Fredholm property of a boundary value problem and derive estimates of solutions close to singular points.
We study the Cauchy problem for a nonlinear elliptic equation with data on a piece S of the boundary surface partial derivative X. By the Cauchy problem is meant any boundary value problem for an unknown function u in a domain X with the property that the data on S, if combined with the differential equations in X, allows one to determine all derivatives of u on S by means of functional equations. In the case of real analytic data of the Cauchy problem, the existence of a local solution near S is guaranteed by the Cauchy-Kovalevskaya theorem. We discuss a variational setting of the Cauchy problem which always possesses a generalized solution.
Let v be a valuation of terms of type tau, assigning to each term t of type tau a value v(t) greater than or equal to 0. Let k greater than or equal to 1 be a natural number. An identity s approximate to t of type tau is called k- normal if either s = t or both s and t have value greater than or equal to k, and otherwise is called non-k-normal. A variety V of type tau is said to be k-normal if all its identities are k-normal, and non-k-normal otherwise. In the latter case, there is a unique smallest k-normal variety N-k(A) (V) to contain V , called the k-normalization of V. Inthe case k = 1, for the usual depth valuation of terms, these notions coincide with the well-known concepts of normal identity, normal variety, and normalization of a variety. I. Chajda has characterized the normalization of a variety by means of choice algebras. In this paper we generalize his results to a characterization of the k-normalization of a variety, using k-choice algebras. We also introduce the concept of a k-inflation algebra, and for the case that v is the usual depth valuation of terms, we prove that a variety V is k-normal iff it is closed under the formation of k- inflations, and that the k-normalization of V consists precisely of all homomorphic images of k-inflations of algebras in V
The generalized hybrid Monte Carlo (GHMC) method combines Metropolis corrected constant energy simulations with a partial random refreshment step in the particle momenta. The standard detailed balance condition requires that momenta are negated upon rejection of a molecular dynamics proposal step. The implication is a trajectory reversal upon rejection, which is undesirable when interpreting GHMC as thermostated molecular dynamics. We show that a modified detailed balance condition can be used to implement GHMC without momentum flips. The same modification can be applied to the generalized shadow hybrid Monte Carlo (GSHMC) method. Numerical results indicate that GHMC/GSHMC implementations with momentum flip display a favorable behavior in terms of sampling efficiency, i.e., the traditional GHMC/GSHMC implementations with momentum flip got the advantage of a higher acceptance rate and faster decorrelation of Monte Carlo samples. The difference is more pronounced for GHMC. We also numerically investigate the behavior of the GHMC method as a Langevin-type thermostat. We find that the GHMC method without momentum flip interferes less with the underlying stochastic molecular dynamics in terms of autocorrelation functions and it to be preferred over the GHMC method with momentum flip. The same finding applies to GSHMC.
The Net Reclassification Improvement (NRI) has become a popular metric for evaluating improvement in disease prediction models through the past years. The concept is relatively straightforward but usage and interpretation has been different across studies. While no thresholds exist for evaluating the degree of improvement, many studies have relied solely on the significance of the NRI estimate. However, recent studies recommend that statistical testing with the NRI should be avoided. We propose using confidence ellipses around the estimated values of event and non-event NRIs which might provide the best measure of variability around the point estimates. Our developments are illustrated using practical examples from EPIC-Potsdam study.
We consider a class of ergodic Hamilton-Jacobi-Bellman (HJB) equations, related to large time asymptotics of non-smooth multiplicative functional of difusion processes. Under suitable ergodicity assumptions on the underlying difusion, we show existence of these asymptotics, and that they solve the related HJB equation in the viscosity sense.
Model-informed precision dosing (MIPD) is a quantitative dosing framework that combines prior knowledge on the drug-disease-patient system with patient data from therapeutic drug/ biomarker monitoring (TDM) to support individualized dosing in ongoing treatment. Structural models and prior parameter distributions used in MIPD approaches typically build on prior clinical trials that involve only a limited number of patients selected according to some exclusion/inclusion criteria. Compared to the prior clinical trial population, the patient population in clinical practice can be expected to also include altered behavior and/or increased interindividual variability, the extent of which, however, is typically unknown. Here, we address the question of how to adapt and refine models on the level of the model parameters to better reflect this real-world diversity. We propose an approach for continued learning across patients during MIPD using a sequential hierarchical Bayesian framework. The approach builds on two stages to separate the update of the individual patient parameters from updating the population parameters. Consequently, it enables continued learning across hospitals or study centers, because only summary patient data (on the level of model parameters) need to be shared, but no individual TDM data. We illustrate this continued learning approach with neutrophil-guided dosing of paclitaxel. The present study constitutes an important step toward building confidence in MIPD and eventually establishing MIPD increasingly in everyday therapeutic use.
Transition path theory (TPT) for diffusion processes is a framework for analyzing the transitions of multiscale ergodic diffusion processes between disjoint metastable subsets of state space. Most methods for applying TPT involve the construction of a Markov state model on a discretization of state space that approximates the underlying diffusion process. However, the assumption of Markovianity is difficult to verify in practice, and there are to date no known error bounds or convergence results for these methods. We propose a Monte Carlo method for approximating the forward committor, probability current, and streamlines from TPT for diffusion processes. Our method uses only sample trajectory data and partitions of state space based on Voronoi tessellations. It does not require the construction of a Markovian approximating process. We rigorously prove error bounds for the approximate TPT objects and use these bounds to show convergence to their exact counterparts in the limit of arbitrarily fine discretization. We illustrate some features of our method by application to a process that solves the Smoluchowski equation on a triple-well potential.
For each compact subset K of the complex plane C which does not surround zero, the Riemann surface Sζ of the Riemann zeta function restricted to the critical half-strip 0 < Rs < 1/2 contains infinitely many schlicht copies of K lying ‘over’ K. If Sζ also contains at least one such copy, for some K which surrounds zero, then the Riemann hypothesis fails.
A function has vanishing mean oscillation (VMO) on R up(n) if its mean oscillation - the local average of its pointwise deviation from its mean value - both is uniformly bounded over all cubes within R up(n) and converges to zero with the volume of the cube. The more restrictive class of functions with vanishing lower oscillation (VLO) arises when the mean value is replaced by the minimum value in this definition. It is shown here that each VMO function is the difference of two functions in VLO.
We study those nonlinear partial differential equations which appear as Euler-Lagrange equations of variational problems. On defining weak boundary values of solutions to such equations we initiate the theory of Lagrangian boundary value problems in spaces of appropriate smoothness. We also analyse if the concept of mapping degree of current importance applies to Lagrangian problems.
We consider the problem of discrete time filtering (intermittent data assimilation) for differential equation models and discuss methods for its numerical approximation. The focus is on methods based on ensemble/particle techniques and on the ensemble Kalman filter technique in particular. We summarize as well as extend recent work on continuous ensemble Kalman filter formulations, which provide a concise dynamical systems formulation of the combined dynamics-assimilation problem. Possible extensions to fully nonlinear ensemble/particle based filters are also outlined using the framework of optimal transportation theory.
A new efficient algorithm is presented for joint diagonalization of several matrices. The algorithm is based on the Frobenius-norm formulation of the joint diagonalization problem, and addresses diagonalization with a general, non- orthogonal transformation. The iterative scheme of the algorithm is based on a multiplicative update which ensures the invertibility of the diagonalizer. The algorithm's efficiency stems from the special approximation of the cost function resulting in a sparse, block-diagonal Hessian to be used in the computation of the quasi-Newton update step. Extensive numerical simulations illustrate the performance of the algorithm and provide a comparison to other leading diagonalization methods. The results of such comparison demonstrate that the proposed algorithm is a viable alternative to existing state-of-the-art joint diagonalization algorithms. The practical use of our algorithm is shown for blind source separation problems
We show a Lefschetz fixed point formula for holomorphic functions in a bounded domain D with smooth boundary in the complex plane. To introduce the Lefschetz number for a holomorphic map of D, we make use of the Bergman kernal of this domain. The Lefschetz number is proved to be the sum of usual contributions of fixed points of the map in D and contributions of boundary fixed points, these latter being different for attracting and repulsing fixed points.
We generalize the popular ensemble Kalman filter to an ensemble transform filter, in which the prior distribution can take the form of a Gaussian mixture or a Gaussian kernel density estimator. The design of the filter is based on a continuous formulation of the Bayesian filter analysis step. We call the new filter algorithm the ensemble Gaussian-mixture filter (EGMF). The EGMF is implemented for three simple test problems (Brownian dynamics in one dimension, Langevin dynamics in two dimensions and the three-dimensional Lorenz-63 model). It is demonstrated that the EGMF is capable of tracking systems with non-Gaussian uni- and multimodal ensemble distributions.
Parallel File Systems like PVFS2 are a necessary compo nent for high-performance computing. The design of ef ;cient communication layers for these systems is still of great research interest. This paper presents a low- latency messaging method for PVFS2 dedicated for Gigabit Ether net networks and discusses relevant design issues. In con trast to other approaches, we argue that zero-copying can be achieved also for big messages without use of a rendez vous protocol. Further, ef;ciency within the communica tion layer like a small call stack plays an important role.
We elaborate a boundary Fourier method for studying an analogue of the Hilbert problem for analytic functions within the framework of generalised Cauchy-Riemann equations. The boundary value problem need not satisfy the Shapiro-Lopatinskij condition and so it fails to be Fredholm in Sobolev spaces. We show a solvability condition of the Hilbert problem, which looks like those for ill-posed
problems, and construct an explicit formula for approximate solutions.
We prove a homology vanishing theorem for graphs with positive Bakry-' Emery curvature, analogous to a classic result of Bochner on manifolds [3]. Specifically, we prove that if a graph has positive curvature at every vertex, then its first homology group is trivial, where the notion of homology that we use for graphs is the path homology developed by Grigor'yan, Lin, Muranov, and Yau [11]. We moreover prove that the fundamental group is finite for graphs with positive Bakry-' Emery curvature, analogous to a classic result of Myers on manifolds [22]. The proofs draw on several separate areas of graph theory, including graph coverings, gain graphs, and cycle spaces, in addition to the Bakry-Emery curvature, path homology, and graph homotopy. The main results follow as a consequence of several different relationships developed among these different areas. Specifically, we show that a graph with positive curvature cannot have a non-trivial infinite cover preserving 3-cycles and 4-cycles, and give a combinatorial interpretation of the first path homology in terms of the cycle space of a graph. Furthermore, we relate gain graphs to graph homotopy and the fundamental group developed by Grigor'yan, Lin, Muranov, and Yau [12], and obtain an alternative proof of their result that the abelianization of the fundamental group of a graph is isomorphic to the first path homology over the integers.
We are interested in modeling some two-level population dynamics, resulting from the interplay of ecological interactions and phenotypic variation of individuals (or hosts) and the evolution of cells (or parasites) of two types living in these individuals. The ecological parameters of the individual dynamics depend on the number of cells of each type contained by the individual and the cell dynamics depends on the trait of the invaded individual. Our models are rooted in the microscopic description of a random (discrete) population of individuals characterized by one or several adaptive traits and cells characterized by their type. The population is modeled as a stochastic point process whose generator captures the probabilistic dynamics over continuous time of birth, mutation and death for individuals and birth and death for cells. The interaction between individuals (resp. between cells) is described by a competition between individual traits (resp. between cell types). We look for tractable large population approximations. By combining various scalings on population size, birth and death rates and mutation step, the single microscopic model is shown to lead to contrasting nonlinear macroscopic limits of different nature: deterministic approximations, in the form of ordinary, integro- or partial differential equations, or probabilistic ones, like stochastic partial differential equations or superprocesses. The study of the long time behavior of these processes seems very hard and we only develop some simple cases enlightening the difficulties involved.
In a recent paper, the Lefschetz number for endomorphisms (modulo trace class operators) of sequences of trace class curvature was introduced. We show that this is a well defined, canonical extension of the classical Lefschetz number and establish the homotopy invariance of this number. Moreover, we apply the results to show that the Lefschetz fixed point formula holds for geometric quasiendomorphisms of elliptic quasicomplexes.
In a recent paper with N. Tarkhanov, the Lefschetz number for endomorphisms (modulo trace class operators) of sequences of trace class curvature was introduced. We show that this is a well defined, canonical extension of the classical Lefschetz number and establish the homotopy invariance of this number. Moreover, we apply the results to show that the Lefschetz fixed point formula holds for geometric quasiendomorphisms of elliptic quasicomplexes.
Ensemble Kalman filter techniques are widely used to assimilate observations into dynamical models. The phase- space dimension is typically much larger than the number of ensemble members, which leads to inaccurate results in the computed covariance matrices. These inaccuracies can lead, among other things, to spurious long-range correlations, which can be eliminated by Schur-product-based localization techniques. In this article, we propose a new technique for implementing such localization techniques within the class of ensemble transform/square-root Kalman filters. Our approach relies on a continuous embedding of the Kalman filter update for the ensemble members, i.e. we state an ordinary differential equation (ODE) with solutions that, over a unit time interval, are equivalent to the Kalman filter update. The ODE formulation forms a gradient system with the observations as a cost functional. Besides localization, the new ODE ensemble formulation should also find useful application in the context of nonlinear observation operators and observations that arrive continuously in time.
Author summary <br /> Switching between local and global attention is a general strategy in human information processing. We investigate whether this strategy is a viable approach to model sequences of fixations generated by a human observer in a free viewing task with natural scenes. Variants of the basic model are used to predict the experimental data based on Bayesian inference. Results indicate a high predictive power for both aggregated data and individual differences across observers. The combination of a novel model with state-of-the-art Bayesian methods lends support to our two-state model using local and global internal attention states for controlling eye movements. <br /> Understanding the decision process underlying gaze control is an important question in cognitive neuroscience with applications in diverse fields ranging from psychology to computer vision. The decision for choosing an upcoming saccade target can be framed as a selection process between two states: Should the observer further inspect the information near the current gaze position (local attention) or continue with exploration of other patches of the given scene (global attention)? Here we propose and investigate a mathematical model motivated by switching between these two attentional states during scene viewing. The model is derived from a minimal set of assumptions that generates realistic eye movement behavior. We implemented a Bayesian approach for model parameter inference based on the model's likelihood function. In order to simplify the inference, we applied data augmentation methods that allowed the use of conjugate priors and the construction of an efficient Gibbs sampler. This approach turned out to be numerically efficient and permitted fitting interindividual differences in saccade statistics. Thus, the main contribution of our modeling approach is two-fold; first, we propose a new model for saccade generation in scene viewing. Second, we demonstrate the use of novel methods from Bayesian inference in the field of scan path modeling.
Author summary <br /> The use of orally inhaled drugs for treating lung diseases is appealing since they have the potential for lung selectivity, i.e. high exposure at the site of action -the lung- without excessive side effects. However, the degree of lung selectivity depends on a large number of factors, including physiochemical properties of drug molecules, patient disease state, and inhalation devices. To predict the impact of these factors on drug exposure and thereby to understand the characteristics of an optimal drug for inhalation, we develop a predictive mathematical framework (a "pharmacokinetic model"). In contrast to previous approaches, our model allows combining knowledge from different sources appropriately and its predictions were able to adequately predict different sets of clinical data. Finally, we compare the impact of different factors and find that the most important factors are the size of the inhaled particles, the affinity of the drug to the lung tissue, as well as the rate of drug dissolution in the lung. In contrast to the common belief, the solubility of a drug in the lining fluids is not found to be relevant. These findings are important to understand how inhaled drugs should be designed to achieve best treatment results in patients. <br /> The fate of orally inhaled drugs is determined by pulmonary pharmacokinetic processes such as particle deposition, pulmonary drug dissolution, and mucociliary clearance. Even though each single process has been systematically investigated, a quantitative understanding on the interaction of processes remains limited and therefore identifying optimal drug and formulation characteristics for orally inhaled drugs is still challenging. To investigate this complex interplay, the pulmonary processes can be integrated into mathematical models. However, existing modeling attempts considerably simplify these processes or are not systematically evaluated against (clinical) data. In this work, we developed a mathematical framework based on physiologically-structured population equations to integrate all relevant pulmonary processes mechanistically. A tailored numerical resolution strategy was chosen and the mechanistic model was evaluated systematically against data from different clinical studies. Without adapting the mechanistic model or estimating kinetic parameters based on individual study data, the developed model was able to predict simultaneously (i) lung retention profiles of inhaled insoluble particles, (ii) particle size-dependent pharmacokinetics of inhaled monodisperse particles, (iii) pharmacokinetic differences between inhaled fluticasone propionate and budesonide, as well as (iv) pharmacokinetic differences between healthy volunteers and asthmatic patients. Finally, to identify the most impactful optimization criteria for orally inhaled drugs, the developed mechanistic model was applied to investigate the impact of input parameters on both the pulmonary and systemic exposure. Interestingly, the solubility of the inhaled drug did not have any relevant impact on the local and systemic pharmacokinetics. Instead, the pulmonary dissolution rate, the particle size, the tissue affinity, and the systemic clearance were the most impactful potential optimization parameters. In the future, the developed prediction framework should be considered a powerful tool for identifying optimal drug and formulation characteristics.
We present a Monte Carlo technique for sampling from the canonical distribution in molecular dynamics. The method is built upon the Nose-Hoover constant temperature formulation and the generalized hybrid Monte Carlo method. In contrast to standard hybrid Monte Carlo methods only the thermostat degree of freedom is stochastically resampled during a Monte Carlo step.
In this paper, we investigate the continuous version of modified iterative Runge–Kutta-type methods for nonlinear inverse ill-posed problems proposed in a previous work. The convergence analysis is proved under the tangential cone condition, a modified discrepancy principle, i.e., the stopping time T is a solution of ∥𝐹(𝑥𝛿(𝑇))−𝑦𝛿∥=𝜏𝛿+ for some 𝛿+>𝛿, and an appropriate source condition. We yield the optimal rate of convergence.
In this paper, we investigate the continuous version of modified iterative Runge–Kutta-type methods for nonlinear inverse ill-posed problems proposed in a previous work. The convergence analysis is proved under the tangential cone condition, a modified discrepancy principle, i.e., the stopping time T is a solution of ∥𝐹(𝑥𝛿(𝑇))−𝑦𝛿∥=𝜏𝛿+ for some 𝛿+>𝛿, and an appropriate source condition. We yield the optimal rate of convergence.
It is well recognized that discontinuous analysis increments of sequential data assimilation systems, such as ensemble Kalman filters, might lead to spurious high-frequency adjustment processes in the model dynamics. Various methods have been devised to spread out the analysis increments continuously over a fixed time interval centred about the analysis time. Among these techniques are nudging and incremental analysis updates (IAU). Here we propose another alternative, which may be viewed as a hybrid of nudging and IAU and which arises naturally from a recently proposed continuous formulation of the ensemble Kalman analysis step. A new slow-fast extension of the popular Lorenz-96 model is introduced to demonstrate the properties of the proposed mollified ensemble Kalman filter.
This thesis focuses on the study of marked Gibbs point processes, in particular presenting some results on their existence and uniqueness, with ideas and techniques drawn from different areas of statistical mechanics: the entropy method from large deviations theory, cluster expansion and the Kirkwood--Salsburg equations, the Dobrushin contraction principle and disagreement percolation.
We first present an existence result for infinite-volume marked Gibbs point processes. More precisely, we use the so-called entropy method (and large-deviation tools) to construct marked Gibbs point processes in R^d under quite general assumptions. In particular, the random marks belong to a general normed space S and are not bounded. Moreover, we allow for interaction functionals that may be unbounded and whose range is finite but random. The entropy method relies on showing that a family of finite-volume Gibbs point processes belongs to sequentially compact entropy level sets, and is therefore tight.
We then present infinite-dimensional Langevin diffusions, that we put in interaction via a Gibbsian description. In this setting, we are able to adapt the general result above to show the existence of the associated infinite-volume measure. We also study its correlation functions via cluster expansion techniques, and obtain the uniqueness of the Gibbs process for all inverse temperatures β and activities z below a certain threshold. This method relies in first showing that the correlation functions of the process satisfy a so-called Ruelle bound, and then using it to solve a fixed point problem in an appropriate Banach space. The uniqueness domain we obtain consists then of the model parameters z and β for which such a problem has exactly one solution.
Finally, we explore further the question of uniqueness of infinite-volume Gibbs point processes on R^d, in the unmarked setting. We present, in the context of repulsive interactions with a hard-core component, a novel approach to uniqueness by applying the discrete Dobrushin criterion to the continuum framework. We first fix a discretisation parameter a>0 and then study the behaviour of the uniqueness domain as a goes to 0. With this technique we are able to obtain explicit thresholds for the parameters z and β, which we then compare to existing results coming from the different methods of cluster expansion and disagreement percolation.
Throughout this thesis, we illustrate our theoretical results with various examples both from classical statistical mechanics and stochastic geometry.
We develop a multigrid, multiple time stepping scheme to reduce computational efforts for calculating complex stress interactions in a strike-slip 2D planar fault for the simulation of seismicity. The key elements of the multilevel solver are separation of length scale, grid-coarsening, and hierarchy. In this study the complex stress interactions are split into two parts: the first with a small contribution is computed on a coarse level, and the rest for strong interactions is on a fine level. This partition leads to a significant reduction of the number of computations. The reduction of complexity is even enhanced by combining the multigrid with multiple time stepping. Computational efficiency is enhanced by a factor of 10 while retaining a reasonable accuracy, compared to the original full matrix-vortex multiplication. The accuracy of solution and computational efficiency depend on a given cut-off radius that splits multiplications into the two parts. The multigrid scheme is constructed in such a way that it conserves stress in the entire half-space.
We establish essential steps of an iterative approach to operator algebras, ellipticity and Fredholm property on stratified spaces with singularities of second order. We cover, in particular, corner-degenerate differential operators. Our constructions are focused on the case where no additional conditions of trace and potential type are posed, but this case works well and will be considered in a forthcoming paper as a conclusion of the present calculus.
A new condensation principle
(2005)
We generalize del(A), which was introduced in [Schinfinity], to larger cardinals. For a regular cardinal kappa>N-0 we denote by del(kappa)(A) the statement that Asubset of or equal tokappa and for all regular theta>kappa(o), {X is an element of[L-theta[A]](<) : X &AND; &ISIN; &AND; otp (X &AND; Ord) &ISIN; Card (L[A&AND;X&AND;])} is stationary in [L-[A]](<). It was shown in [Sch&INFIN;] that &DEL;(N1) (A) can hold in a set-generic extension of L. We here prove that &DEL;(N2) (A) can hold in a set-generic extension of L as well. In both cases we in fact get equiconsistency theorems. This strengthens results of [Ra00] and [Ran01]. &DEL;(N3) () is equivalent with the existence of 0#
We prove a version of the Hopf-Rinow theorem with respect to path metrics on discrete spaces. The novel aspect is that we do not a priori assume local finiteness but isolate a local finiteness type condition, called essentially locally finite, that is indeed necessary. As a side product we identify the maximal weight, called the geodesic weight, generating the path metric in the situation when the space is complete with respect to any of the equivalent notions of completeness proven in the Hopf-Rinow theorem. As an application we characterize the graphs for which the resistance metric is a path metric induced by the graph structure.
Many applications, such as intermittent data assimilation, lead to a recursive application of Bayesian inference within a Monte Carlo context. Popular data assimilation algorithms include sequential Monte Carlo methods and ensemble Kalman filters (EnKFs). These methods differ in the way Bayesian inference is implemented. Sequential Monte Carlo methods rely on importance sampling combined with a resampling step, while EnKFs utilize a linear transformation of Monte Carlo samples based on the classic Kalman filter. While EnKFs have proven to be quite robust even for small ensemble sizes, they are not consistent since their derivation relies on a linear regression ansatz. In this paper, we propose another transform method, which does not rely on any a priori assumptions on the underlying prior and posterior distributions. The new method is based on solving an optimal transportation problem for discrete random variables.
We consider the Cauchy problem for the heat equation in a cylinder C (T) = X x (0, T) over a domain X in R (n) , with data on a strip lying on the lateral surface. The strip is of the form S x (0, T), where S is an open subset of the boundary of X. The problem is ill-posed. Under natural restrictions on the configuration of S, we derive an explicit formula for solutions of this problem.
We consider a Cauchy problem for the heat equation in a cylinder X x (0,T) over a domain X in the n-dimensional space with data on a strip lying on the lateral surface. The strip is of the form
S x (0,T), where S is an open subset of the boundary of X. The problem is ill-posed. Under natural restrictions on the configuration of S we derive an explicit formula for solutions of this problem.
We consider the problem of testing whether the density of a mul- tivariate random variable can be expressed by a prespecified copula function and the marginal densities. The proposed test procedure is based on the asymptotic normality of the properly standardized integrated squared distance between a multivariate kernel density estimator and an estimator of its expectation under the hypothesis. The test of independence is a special case of this approach.
In this article we prove upper bounds for the Laplace eigenvalues lambda(k) below the essential spectrum for strictly negatively curved Cartan-Hadamard manifolds. Our bound is given in terms of k(2) and specific geometric data of the manifold. This applies also to the particular case of non-compact manifolds whose sectional curvature tends to -infinity, where no essential spectrum is present due to a theorem of Donnelly/Li. The result stands in clear contrast to Laplacians on graphs where such a bound fails to be true in general.
In this note, we consider the semigroup O(X) of all order endomorphisms of an infinite chain X and the subset J of O(X) of all transformations alpha such that vertical bar Im(alpha)vertical bar = vertical bar X vertical bar. For an infinite countable chain X, we give a necessary and sufficient condition on X for O(X) = < J > to hold. We also present a sufficient condition on X for O(X) = < J > to hold, for an arbitrary infinite chain X.
We discuss Neumann problems for self-adjoint Laplacians on (possibly infinite) graphs. Under the assumption that the heat semigroup is ultracontractive we discuss the unique solvability for non-empty subgraphs with respect to the vertex boundary and provide analytic and probabilistic representations for Neumann solutions. A second result deals with Neumann problems on canonically compactifiable graphs with respect to the Royden boundary and provides conditions for unique solvability and analytic and probabilistic representations.
Extreme value statistics is a popular and frequently used tool to model the occurrence of large earthquakes. The problem of poor statistics arising from rare events is addressed by taking advantage of the validity of general statistical properties in asymptotic regimes. In this note, I argue that the use of extreme value statistics for the purpose of practically modeling the tail of the frequency-magnitude distribution of earthquakes can produce biased and thus misleading results because it is unknown to what degree the tail of the true distribution is sampled by data. Using synthetic data allows to quantify this bias in detail. The implicit assumption that the true M-max is close to the maximum observed magnitude M-max,M-observed restricts the class of the potential models a priori to those with M-max = M-max,M-observed + Delta M with an increment Delta M approximate to 0.5... 1.2. This corresponds to the simple heuristic method suggested by Wheeler (2009) and labeled :M-max equals M-obs plus an increment." The incomplete consideration of the entire model family for the frequency-magnitude distribution neglects, however, the scenario of a large so far unobserved earthquake.
We reconsider the fundamental work of Fichtner ([2]) and exhibit the permanental structure of the ideal Bose gas again, using another approach which combines a characterization of infinitely divisible random measures (due to Kerstan,Kummer and Matthes [5, 6] and Mecke [8, 9]) with a decomposition of the moment measures into its factorial measures due to Krickeberg [4]. To be more precise, we exhibit the moment measures of all orders of the general ideal Bose gas in terms of certain path integrals. This representation can be considered as a point process analogue of the old idea of Symanzik [11] that local times and self-crossings of the Brownian motion can be used as a tool in quantum field theory. Behind the notion of a general ideal Bose gas there is a class of infinitely divisible point processes of all orders with a Levy-measure belonging to some large class of measures containing the one of the classical ideal Bose gas considered by Fichtner. It is well known that the calculation of moments of higher order of point processes are notoriously complicated. See for instance Krickeberg's calculations for the Poisson or the Cox process in [4].
We consider a perturbation of the de Rham complex on a compact manifold with boundary. This perturbation goes beyond the framework of complexes, and so cohomology does not apply to it. On the other hand, its curvature is "small", hence there is a natural way to introduce an Euler characteristic and develop a Lefschetz theory for the perturbation. This work is intended as an attempt to develop a cohomology theory for arbitrary sequences of linear mappings.
Transport molecules play a crucial role for cell viability. Amongst others, linear motors transport cargos along rope-like structures from one location of the cell to another in a stochastic fashion. Thereby each step of the motor, either forwards or backwards, bridges a fixed distance and requires several biochemical transformations, which are modeled as internal states of the motor. While moving along the rope, the motor can also detach and the walk is interrupted. We give here a mathematical formalization of such dynamics as a random process which is an extension of Random Walks, to which we add an absorbing state to model the detachment of the motor from the rope. We derive particular properties of such processes that have not been available before. Our results include description of the maximal distance reached from the starting point and the position from which detachment takes place. Finally, we apply our theoretical results to a concrete established model of the transport molecule Kinesin V.
Transport Molecules play a crucial role for cell viability. Amongst others, linear motors transport cargos along rope-like structures from one location of the cell to another in a stochastic fashion. Thereby each step of the motor, either forwards or backwards, bridges a fixed distance. While moving along the rope the motor can also detach and is lost. We give here a mathematical formalization of such dynamics as a random process which is an extension of Random Walks, to which we add an absorbing state to model the detachment of the motor from the rope. We derive particular properties of such processes that have not been available before. Our results include description of the maximal distance reached from the starting point and the position from which detachment takes place. Finally, we apply our theoretical results to a concrete established model of the transport molecule Kinesin V.
Let A be a nonlinear differential operator on an open set X subset of R-n and S a closed subset of X. Given a class F of functions in X, the set S is said to be removable for F relative to A if any weak solution of A(u) = 0 in XS of class F satisfies this equation weakly in all of X. For the most extensively studied classes F, we show conditions on S which guarantee that S is removable for F relative to A.
We prove that if u is a locally Lipschitz continuous function on an open set chi subset of Rn + 1 satisfying the nonlinear heat equation partial derivative(t)u = Delta(vertical bar u vertical bar(p-1) u), p > 1, weakly away from the zero set u(-1) (0) in chi, then u is a weak solution to this equation in all of chi.
Let A be a nonlinear differential operator on an open set X in R^n and S a closed subset of X. Given a class F of functions in X, the set S is said to be removable for F relative to A if any weak solution of A (u) = 0 in the complement of S of class F satisfies this equation weakly in all of X. For the most extensively studied classes F we show conditions on S which guarantee that S is removable for F relative to A.
We introduce a natural symmetry condition for a pseudodifferential operator on a manifold with cylindrical ends ensuring that the operator admits a doubling across the boundary. For such operators we prove an explicit index formula containing, apart from the Atiyah-Singer integral, a finite number of residues of the logarithmic derivative of the conormal symbol.