SearcharxivSearch

arXiv subjects

Gerhard Müller

Publications and source records attributed to Gerhard Müller.

At least 19 recordsLinked to original sources

Uncertainty-Aware Calculation of Analytical Gradients of Matrix-Interpolatory Reduced-Order Models for Efficient Structural Optimization

This paper presents an adaptive sampling algorithm tailored for the optimization of parametrized dynamical systems using projection-based model order reduction. Unlike classical sampling strategies, this framework does not aim for a small approximation error in the global sense but focuses on identifying and refining promising regions early on while reducing expensive full order model evaluations. The algorithm is tested on two models: a Timoshenko beam and a Kelvin cell, which ought to be optimized in terms of the system output in the frequency domain. For that, different norms of the transfer function are used as the objective function, while up to two geometrical parameters form the vector of design variables. The sampled full order models are reduced using the iterative rational Krylov algorithm and reprojected into a global basis. Subsequently, the models are parametrized by performing sparse Bayesian regression on matrix entry level of the reduced operators. Thompson sampling is carried out using the posterior distribution of the polynomial coefficients in order to account for uncertainties in the trained regression models. The strategy deployed for sample acquisition incorporates a gradient-based search on the parametrized reduced order model, which involves analytical gradients obtained via adjoint sensitivity analysis. By adding the found optimum to the sample set, the sample set is iteratively refined. Results demonstrate robust convergence towards the global optimum but highlight the computational cost introduced by the gradient-based optimization. The probabilistic extensions seamlessly integrate into existing matrix-interpolatory reduction frameworks and enable the analytical calculation of gradients under uncertainty.

cs.CE

Twisting Kelvin Cells for Enhanced Vibration Control

This work investigates the propagation of elastic waves in periodic Kelvin-cell chains, focusing on symmetry-breaking geometric modifications induced by twisting the cell's faces. By imposing such twists, the original lattice topology is preserved, while mirror symmetries are strategically broken through modifying a single geometric parameter, allowing wave characteristics to be adjusted without additional resonators or mass augmentation. The complex-valued Bloch-Floquet analysis reveals that twisting activates two distinct wave attenuation mechanisms: Bragg-type band gaps associated with periodicity-induced scattering, and polarization-dependent band gaps arising from longitudinal-torsional mode coupling and avoided crossings. To obtain qualitative and quantitative insight into these mechanisms, a simplified analytical model with coupled translational and rotational degrees of freedom is considered. The finite-element wave transmission calculations are experimentally validated on SLA-printed three-cell specimens, for which wave attenuation reaches up to 20 dB within the predicted band-gap frequencies. Note that high prediction accuracy requires accounting for viscoelastic material behavior, underscoring the importance of material behavior on the wave propagation characteristics. Overall, the findings show that modest geometric modifications to a classical Kelvin-cell lattice can enhance wave-filtering behavior, offering a tractable design strategy for vibration control in lightweight architected lattices.

physics.app-ph

Consistent Parametric Model Order Reduction by Matrix Interpolation for Varying Underlying Meshes

Parametric model order reduction (pMOR) is a powerful tool for accelerating finite element (FE) simulations while maintaining parametric dependencies. For geometric parameters, pMOR by matrix interpolation is a well-suited approach because it does not require an affine representation of the parametric dependency, which is often not available for geometric parameters. However, the method requires that the underlying FE mesh has the same number of degrees of freedom and the same topology for all parameter configurations. This requirement can be difficult or even impossible to achieve for large parameter ranges or when automatic meshing is used. In this work, we propose a novel framework for pMOR by matrix interpolation for varying underlying meshes. The key idea is to understand the sampled reduced bases as continuous displacement fields that can be represented in different discretizations. By using mesh morphing and basis interpolation, the sampled reduced bases described in varying meshes can all be represented in terms of one reference mesh. This not only allows for performing pMOR by matrix interpolation, but also enables comparing the subspaces that the reduced bases span, which is important to detect strong changes that could lead to inconsistencies in the reduced operators. For mesh morphing, two strategies, namely morphing by spring analogy with elastic hardening and radial basis function morphing, were implemented and tested. Numerical experiments on a beam-shaped plate and a plate with a hole for one- and two-dimensional parameter spaces show that the proposed framework achieves high accuracy for both morphing methods and performs significantly better than two existing approaches for pMOR by matrix interpolation for varying underlying meshes.

math.NA

Ordering According to Size of Disks in a Narrow Channel

A long and narrow channel confines disks of two sizes. The disks are randomly agitated in a widened channel under moderate pressure, then jammed according to a tunable protocol. We present exact results that characterize jammed macrostates (volume, entropy, jamming patterns). The analysis divides jammed disk sequences into overlapping tiles out of which statistically interacting quasiparticles are constructed. The fractions of small and large disks are controlled by a chemical potential adapted to configurational statistics of granular matter. The results show regimes for the energy parameters (determined by the jamming protocol) that either enhance or suppress the mixing of disk sizes. Size segregation or size alternation driven by steric forces alone are manifestations of a broken symmetry.

cond-mat.soft

Jammed disks of two sizes in a channel: segregation driven by steric forces

Disks of two sizes are confined to a long and narrow channel. The axis and the plane of the channel are horizontal. The channel is closed off by pistons that freeze jammed microstates out of loose disk configurations, agitated randomly at calibrated intensity and subject to moderate pressure. Disk sizes and channel width are such that under jamming no disks remain loose and all disks touch one wall. The protocol permits disks to move past each other prior to jamming, which facilitates randomness in the sequence of large and small disks. We present exact results for the characterization of jammed macrostates including volume and entropy for given fractions of small and large disks as functions of energy parameters which depend on the jamming protocol. Our analysis divides the disk sequence of jammed microstates into overlapping tiles out of which we construct 17 species of statistically interacting quasiparticles. Jammed macrostates then depend on the fractions of small and large disks and on a dimensionless control parameter inferred from measures for expansion work against the pistons and intensity of random agitations. Two models are introduced for comparison of key technical aspects: one model emphasizes symmetry and the other mechanical stability. We distinguish regimes for the energy parameters that either enhance or suppress mixing of disk sizes in jammed macrostates. The latter case, if realizable, is a manifestation of grain segregation driven by steric forces alone, without directional bias.

cond-mat.soft

Europe's AI Imperative -- A Pragmatic Blueprint for Global Tech Leadership

Europe is at a make-or-break moment in the global AI race, squeezed between the massive venture capital and tech giants in the US and China's scale-oriented, top-down drive. At this tipping point, where the convergence of AI with complementary and synergistic technologies, like quantum computing, biotech, VR/AR, 5G/6G, robotics, advanced materials, and high-performance computing, could upend geopolitical balances, Europe needs to rethink its AI-related strategy. On the heels of the AI Action Summit 2025 in Paris, we present a sharp, doable strategy that builds upon Europe's strengths and closes gaps.

cs.CY

Inconsistency Removal of Reduced Bases in Parametric Model Order Reduction by Matrix Interpolation using Adaptive Sampling and Clustering

Parametric model order reduction by matrix interpolation allows for efficient prediction of the behavior of dynamic systems without requiring knowledge about the underlying parametric dependency. Within this approach, reduced models are first sampled and then made consistent with each other by transforming the underlying reduced bases. Finally, the transformed reduced operators can be interpolated to predict reduced models for queried parameter points. However, the accuracy of the predicted reduced model strongly depends on the similarity of the sampled reduced bases. If the local reduced bases change significantly over the parameter space, inconsistencies are introduced in the training data for the matrix interpolation. These strong changes in the reduced bases can occur due to the model order reduction method used, a change of the system's dynamics with a change of the parameters, and mode switching and truncation. In this paper, individual approaches for removing these inconsistencies are extended and combined into one general framework to simultaneously treat multiple sources of inconsistency. For that, modal truncation is used for the reduction, an adaptive sampling of the parameter space is performed, and eventually, the parameter space is partitioned into regions in which all local reduced bases are consistent with each other. The proposed framework is applied to a cantilever Timoshenko beam and the Kelvin cell for one- to three-dimensional parameter spaces. Compared to the original version of parametric model order reduction by matrix interpolation and an existing method for inconsistency removal, the proposed framework leads to parametric reduced models with significantly smaller errors.

math.DS

Maximum a Posteriori Estimation for Linear Structural Dynamics Models Using Bayesian Optimization with Rational Polynomial Chaos Expansions

Bayesian analysis enables combining prior knowledge with measurement data to learn model parameters. Commonly, one resorts to computing the maximum a posteriori (MAP) estimate, when only a point estimate of the parameters is of interest. We apply MAP estimation in the context of structural dynamic models, where the system response can be described by the frequency response function. To alleviate high computational demands from repeated expensive model calls, we utilize a rational polynomial chaos expansion (RPCE) surrogate model that expresses the system frequency response as a rational of two polynomials with complex coefficients. We propose an extension to an existing sparse Bayesian learning approach for RPCE based on Laplace's approximation for the posterior distribution of the denominator coefficients. Furthermore, we introduce a Bayesian optimization approach, which allows to adaptively enrich the experimental design throughout the optimization process of MAP estimation. Thereby, we utilize the expected improvement acquisition function as a means to identify sample points in the input space that are possibly associated with large objective function values. The acquisition function is estimated through Monte Carlo sampling based on the posterior distribution of the expansion coefficients identified in the sparse Bayesian learning process. By combining the sparsity-inducing learning procedure with the sequential experimental design, we effectively reduce the number of model evaluations in the MAP estimation problem. We demonstrate the applicability of the presented methods on the parameter updating problem of an algebraic two-degree-of-freedom system and the finite element model of a cross-laminated timber plate.

stat.ML

Sparse Bayesian Learning for Complex-Valued Rational Approximations

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For models that show a strongly non-linear dependence on their input parameters, standard surrogate techniques, such as polynomial chaos expansion, are not sufficient to obtain an accurate representation of the original model response. Through applying a rational approximation instead, the approximation error can be efficiently reduced for models whose non-linearity is accurately described through a rational function. Specifically, our aim is to approximate complex-valued models. A common approach to obtain the coefficients in the surrogate is to minimize the sample-based error between model and surrogate in the least-square sense. In order to obtain an accurate representation of the original model and to avoid overfitting, the sample set has be two to three times the number of polynomial terms in the expansion. For models that require a high polynomial degree or are high-dimensional in terms of their input parameters, this number often exceeds the affordable computational cost. To overcome this issue, we apply a sparse Bayesian learning approach to the rational approximation. Through a specific prior distribution structure, sparsity is induced in the coefficients of the surrogate model. The denominator polynomial coefficients as well as the hyperparameters of the problem are determined through a type-II-maximum likelihood approach. We apply a quasi-Newton gradient-descent algorithm in order to find the optimal denominator coefficients and derive the required gradients through application of $\mathbb{CR}$-calculus.

stat.ML

Free-energy landscapes and insertion pathways for peptides in membrane environment

Free-energy landscapes for short peptides -- specifically for variants of the pH Low Insertion Peptide (pHLIP) -- in the heterogeneous environment of a lipid bilayer or cell membrane are constructed, taking into account a set of dominant interactions and the conformational preferences of the peptide backbone. Our methodology interprets broken internal H-bonds along the backbone of a polypeptide as statistically interacting quasiparticles, activated from the helix reference state. The favored conformation depends on the local environment (ranging from polar to nonpolar), specifically on the availability of external H-bonds (with $\mathrm{H_2O}$ molecules or lipid headgroups) to replace internal H-bonds. The dominant side-chain contribution is accounted for by residue-specific transfer free energies between polar and nonpolar environments. The free-energy landscape is sensitive to the level of pH in the aqueous environment surrounding the membrane. For high pH, we identify pathways of descending free energy that suggest a coexistence of membrane-adsorbed peptides with peptides in solution. A drop in pH raises the degree of protonation of negatively charged residues and thus increases the hydrophobicity of peptide segments near the C terminus. For low pH, we identify insertion pathways between the membrane-adsorbed state and a stable trans-membrane state with the C terminus having crossed the membrane.

cond-mat.soft

Self-gravitating clusters of Bose-Einstein gas with planar, cylindrical, or spherical symmetry: gaseous density profiles and onset of condensation

We calculate density profiles for self-gravitating clusters of an ideal Bose-Einstein gas with nonrelativistic energy-momentum relation and macroscopic mass at thermal equilibrium. Our study includes clusters with planar symmetry in dimensions $\mathcal{D}=1,2,3$, clusters with cylindrical symmetry in $\mathcal{D}=2,3$, and clusters with spherical symmetry in $\mathcal{D}=3$. Wall confinement is imposed where needed to prevent escape. The length scale and energy scale in use for the gaseous phase render density profiles for gaseous macrostates independent of total mass. Density profiles for mixed-phase macrostates have a condensed core surrounded by a gaseous halo. The spatial extension of the core is negligibly small on the length scale tailored for the halo. The mechanical stability conditions as evident in caloric curves permit multiple macrostates to coexist. Their status regarding thermal equilibrium is examined by a comparison of free energies. The onset of condensation takes place at a nonzero temperature in all cases. The critical singularities and the nature of the phase transition vary with the symmetry of the cluster and the dimensionality of the space.

cond-mat.stat-mech

Jammed disks of two sizes and weights in a channel: Alternating sequences

Disks of two sizes and weights in alternating sequence are confined to a long and narrow channel. The axis of the channel is horizontal and its plane vertical. The channel is closed off by pistons that freeze jammed microstates out of loose disk configurations subject to moderate pressure, gravity, and random agitations. Disk sizes and channel width are such that under jamming no disk remains loose and all disks touch one wall. We present exact results for the characterization of jammed macrostates including volume and entropy. The rigorous analysis divides the disk sequences of jammed microstates into overlapping tiles from which we construct a small number of species of statistically interacting particles. Jammed macrostates depend on dimensionless control parameters inferred from ratios between measures of expansion work against the pistons, gravitational potential energy, and intensity of random agitations. These control parameters enter the configurational statistics via the activation energies prior to jamming of the particles. The range of disk weights naturally divides into regimes where qualitatively different features come into play. We sketch a path toward generalizations that include random sequences under a modified jamming protocol.

cond-mat.soft

Mechanical response to tension and torque of molecular chains via statistically interacting particles associated with extension, contraction, twist, and supercoiling

A methodology for the statistical mechanical analysis of polymeric chains under tension introduced previously is extended to include torque. The response of individual bonds between monomers or of entire groups of monomers to a combination of tension and torque involves, in the framework of this method of analysis, the (thermal or mechanical) activation of a specific mix of statistically interacting particles carrying quanta of extension or contraction and quanta of twist or supercoiling. The methodology, which is elucidated in applications of increasing complexity, is capable of describing the conversion between twist chirality and plectonemic chirality in quasistatic processes. The control variables are force or extension and torque or linkage (a combination of twist and writhe). The versatility of this approach is demonstrated in two applications relevant and promising for double-stranded DNA under controlled tension and torque. One application describes conformational transformations between (native) B-DNA, (underwound) S-DNA, and (overwound) P-DNA in accord with experimental data. The other application describes how the conversion between a twisted chain and a supercoiled chain accommodates variations of linkage and excess length in a buckling transition.

cond-mat.soft

Self-gravitating clusters of Fermi-Dirac gas with planar, cylindrical, or spherical symmetry: evolution of density profiles with temperature

We calculate density profiles for self-gravitating clusters of an ideal Fermi-Dirac gas with nonrelativistic energy-momentum relation and macroscopic mass at thermal equilibrium. Our study includes clusters with planar symmetry in dimensions $\mathcal{D}=1,2,3$, clusters with cylindrical symmetry in $\mathcal{D}=2,3$, and clusters with spherical symmetry in $\mathcal{D}=3$. Wall confinement is imposed where needed for stability against escape. The length scale and energy scale in use render all results independent of total mass and prove adequate at all temperatures. We present exact analytic expressions for (fully degenerate) $T=0$ density profiles in four of the six combinations of symmetry and dimensionality. Our numerical results for $T>0$ describe the emergence, upon quasistatic cooling, of a core with incipient degeneracy surrounded by a more dilute halo. The equilibrium macrostates are found to depend more strongly on the cluster symmetry than on the space dimensionality. We demonstrate the mechanical and thermal stability of spherical clusters with coexisting phases.

cond-mat.stat-mech

Interacting hard-sphere fluids in an external field

We present a new method for studying equilibrium properties of interacting fluids in an arbitrary external field. The fluid is composed of monodisperse spherical particles with hard-core repulsion and additional interactions of arbitrary shape and limited range. Our method of analysis is exact in one dimension and provides demonstrably good approximations in higher dimensions. It can cope with homogeneous and heterogeneous environments. We derive an equation for the pair distribution function. The solution, to be evaluated numerically, in general, or analytically for special cases, enters expressions for the entropy and free energy functionals. For some one-dimensional systems, our approach yields analytic solutions, reproducing available exact results from different approaches.

cond-mat.soft

Jammed disks of two sizes in a narrow channel

A granular-matter model is exactly solved, where disks of two sizes and weights in alternating sequence are confined to a narrow channel. The axis of the channel is horizontal and its plane vertical. Disk sizes and channel width are such that under jamming no disks remain loose and all disks touch one wall. Jammed microstates are characterized via statistically interacting particles constructed out of two-disk tiles. Jammed macrostates depend on measures of expansion work, gravitational potential energy, and intensity of random agitations before jamming. The dependence of configurational entropy on excess volume exhibits a critical point.

cond-mat.soft

Molecular chains under tension: Thermal and mechanical activation of statistically interacting extension and contraction particles

This work introduces a methodology for the statistical mechanical analysis of polymeric chains under tension controlled by optical or magnetic tweezers at thermal equilibrium with an embedding fluid medium. The response of single bonds between monomers or of entire groups of monomers to tension is governed by the activation of statistically interacting particles representing quanta of extension or contraction. This method of analysis is capable of describing thermal unbending of the freely jointed or wormlike chain kind, linear or nonlinear contour elasticity, and structural transformations including effects of cooperativity. The versatility of this approach is demonstrated in an application to double-stranded DNA undergoing torsionally unconstrained stretching across three regimes of mechanical response including an overstretching transition. The three-regime force-extension characteristic, derived from a single free-energy expression, accurately matches empirical evidence.

cond-mat.soft

Density profiles of a self-gravitating lattice gas in one, two, and three dimensions

We consider a lattice gas in spaces of dimensionality $\mathcal{D}=1,2,3$. The particles are subject to a hardcore exclusion interaction and an attractive pair interaction that satisfies Gauss' law as do Newtonian gravity in $\mathcal{D}=3$, a logarithmic potential in $\mathcal{D}=2$, and a distance-independent force in $\mathcal{D}=1$. Under mild additional assumptions regarding symmetry and fluctuations we investigate equilibrium states of self-gravitating material clusters, in particular radial density profiles for closed and open systems. We present exact analytic results in several instances and high-precision numerical data in others. The density profile of a cluster with finite mass is found to exhibit exponential decay in $\mathcal{D}=1$ and power-law decay in $\mathcal{D}=2$ with temperature-dependent exponents in both cases. In $\mathcal{D}=2$ the gas evaporates in a continuous transition at a nonzero critical temperature. We describe clusters of infinite mass in $\mathcal{D}=3$ with a density profile consisting of three layers (core, shell, halo) and an algebraic large-distance asymptotic decay. In $\mathcal{D}=3$ a cluster of finite mass can be stabilized at $T>0$ via confinement to a sphere of finite radius. In some parameter regime, the gas thus enclosed undergoes a discontinuous transition between distinct density profiles. For the free energy needed to identify the equilibrium state we introduce a construction of gravitational self-energy that works in all $\mathcal{D}$ for the lattice gas. The decay rate of the density profile of an open cluster is shown to transform via a stretched exponential for $1<\mathcal{D}<2$ whereas it crosses over from one power-law at intermediate distances to a different power-law at larger distances for $2<\mathcal{D}<3$.

cond-mat.stat-mech