Technische Universität Chemnitz
We study a dynamic optimal transport problem on a network. Despite the cost for transport along the edges, an additional cost, scaled with a parameter κ\kappa, has to be paid for interchanging mass between edges and vertices. We show existence f minimisers using duality and discuss the relationship of the model to other metrics such as Fisher-Rao and the classical Wasserstein metric. Finally, we examine the limiting behaviour of the model in terms of the parameter κ\kappa.
Limited resources motivate decomposing large-scale problems into smaller, "local" subsystems and stitching together the so-found solutions. We explore the physics underlying this approach and discuss the concept of "local hardness", i.e., complexity from the local solver perspective, in determining the ground states of both P- and NP-hard spin-glasses and related systems. Depending on the model considered, we observe varying scaling behaviors in how errors associated with local predictions decay as a function of the size of the solved subsystem. These errors stem from global critical threshold instabilities, characterized by gapless, avalanche-like excitations that follow scale-invariant size distributions. Away from criticality, local solvers quickly achieve high accuracy, aligning closely with the results of the more computationally intensive global minimization. These findings shed light on how Nature may operate solely through local actions at her disposal.
Human pose estimation (HPE) in the top-view using fisheye cameras presents a promising and innovative application domain. However, the availability of datasets capturing this viewpoint is extremely limited, especially those with high-quality 2D and 3D keypoint annotations. Addressing this gap, we leverage the capabilities of Neural Radiance Fields (NeRF) technique to establish a comprehensive pipeline for generating human pose datasets from existing 2D and 3D datasets, specifically tailored for the top-view fisheye perspective. Through this pipeline, we create a novel dataset NToP570K (NeRF-powered Top-view human Pose dataset for fisheye cameras with over 570 thousand images), and conduct an extensive evaluation of its efficacy in enhancing neural networks for 2D and 3D top-view human pose estimation. A pretrained ViTPose-B model achieves an improvement in AP of 33.3 % on our validation set for 2D HPE after finetuning on our training set. A similarly finetuned HybrIK-Transformer model gains 53.7 mm reduction in PA-MPJPE for 3D HPE on the validation set.
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We establish asymptotic formulas for the determinants of finite Toeplitz + Hankel matrices of size N, as N goes to infinity for singular generating functions defined on the unit circle in the special case where the generating function is even, i.e., where the Toeplitz + Hankel matrices are symmetric.
The purpose of this paper is to describe asymptotic formulas for determinants of a sum of finite Toeplitz and Hankel matrices with singular generating functions. The formulas are similar to those of the analogous problem for finite Toeplitz matrices for a certain class of symbols. However, the appearance of the Hankel matrices changes the nature of the asymptotics in some instances depending on the location of the singularities. Several concrete examples are also described in the paper.
We investigate the percolation behavior of Fortuin-Kasteleyn--type clusters in the spin-1/21/2 Baxter--Wu model with three-spin interactions on a triangular lattice. The considered clusters are constructed by randomly freezing one of the three sublattices, resulting in effective pairwise interactions among the remaining spins. Using Monte Carlo simulations combined with a finite-size scaling analysis, we determine the percolation temperature of these stochastic clusters and show that it coincides with the exact thermal critical point of the model. The critical exponents derived from cluster observables are consistent with those of the underlying thermal phase transition. Finally, we analyze the dynamical scaling of the multi-cluster and single-cluster algorithms resulting from the cluster construction, highlighting their efficiency and scaling behavior with system size.
We introduce ``local uncertainty relations'' in thermal many-body systems, from which fundamental bounds in quantum systems can be derived. These lead to universal non-relativistic speed limits (independent of interaction range) and transport coefficient bounds (e.g., those of the diffusion constant and viscosity) that are compared against experimental data.
Multilayer networks provide a powerful framework for modeling complex systems that capture different types of interactions between the same set of entities across multiple layers. Core-periphery detection involves partitioning the nodes of a network into core nodes, which are highly connected across the network, and peripheral nodes, which are densely connected to the core but sparsely connected among themselves. In this paper, we propose a new model of core-periphery in multilayer network and a nonlinear spectral method that simultaneously detects the corresponding core and periphery structures of both nodes and layers in weighted and directed multilayer networks. Our method reveals novel structural insights in three empirical multilayer networks from distinct application areas: the citation network of complex network scientists, the European airlines transport network, and the world trade network.
15 Mar 2021
Tikhonov regularization with square-norm penalty for linear forward operators has been studied extensively in the literature. However, the results on convergence theory are based on technical proofs and difficult to interpret. It is also often not clear how those results translate into the discrete, numerical setting. In this paper we present a new strategy to study the properties of a regularization method on the example of Tikhonov regularization. The technique is based on the observation that Tikhonov regularization approximates the unknown exact solution in the range of the adjoint of the forward operator. This is closely related to the concept of approximate source conditions, which we generalize to describe not only the approximation of the unknown solution, but also noise-free and noisy data; all from the same source space. Combining these three approximation results we derive the well-known convergence results in a concise way and improve the understanding by tightening the relation between concepts such as convergence rates, parameter choice, and saturation. The new technique is not limited to Tikhonov regularization, it can be applied also to iterative regularization, which we demonstrate by relating Tikhonov regularization and Landweber iteration. Because the Tikhonov functional is no longer the centrepiece of the analysis, we can show that Tikhonov regularization can be used for oversmoothing regularization. All results are accompanied by numerical examples.
Population annealing is a powerful sequential Monte Carlo algorithm designed to study the equilibrium behavior of general systems in statistical physics through massive parallelism. In addition to the remarkable scaling capabilities of the method, it allows for measurements to be enhanced by weighted averaging, admitting to reduce both systematic and statistical errors based on independently repeated simulations. We give a self-contained introduction to population annealing with weighted averaging, generalize the method to a wide range of observables such as the specific heat and magnetic susceptibility and rigorously prove that the resulting estimators for finite systems are asymptotically unbiased for essentially arbitrary target distributions. Numerical results based on more than 10710^7 independent population annealing runs of the two-dimensional Ising ferromagnet and the Edwards-Anderson Ising spin glass are presented in depth. In the latter case, we also discuss efficient ways of measuring spin overlaps in population annealing simulations.
We generalize a graph-based multiclass semi-supervised classification technique based on diffuse interface methods to multilayer graphs. Besides the treatment of various applications with an inherent multilayer structure, we present a very flexible approach that interprets high-dimensional data in a low-dimensional multilayer graph representation. Highly efficient numerical methods involving the spectral decomposition of the corresponding differential graph operators as well as fast matrix-vector products based on the nonequispaced fast Fourier transform (NFFT) enable the rapid treatment of large and high-dimensional data sets. We perform various numerical tests putting a special focus on image segmentation. In particular, we test the performance of our method on data sets with up to 10 million nodes per layer as well as up to 104 dimensions resulting in graphs with up to 52 layers. While all presented numerical experiments can be run on an average laptop computer, the linear dependence per iteration step of the runtime on the network size in all stages of our algorithm makes it scalable to even larger and higher-dimensional problems.
In this paper we determine the asymptotics of the determinant of Bessel operators for sufficiently smooth generating functions. These operators are similar to Wiener-Hopf operators with the Fourier transform replaced by the Hankel transform and thus the asymptotics of the determinanst are similar to the well-known Szegö-Akhiezer-Kac formula for truncated Wiener-Hopf determinants. In order to compute the above, we also show that the Bessel operators differ from the Wiener-Hopf by a Hilbert-Schmidt operator.
29 Dec 2019
This paper aims to investigate the numerical approximation of a general second order parabolic stochastic partial differential equation(SPDE) driven by multiplicative and additive noise under more relaxed conditions. The SPDE is discretized in space by the finite element method and in time by the linear implicit Euler method. This extends the current results in the literature to not necessary self-adjoint operator with more general boundary conditions. As a consequence key part of the proof does not rely on the spectral decomposition of the linear operator. We achieve optimal convergence orders which depend on the regularity of the noise and the initial data. In particular, for multiplicative noise we achieve optimal order O(h2+Δt1/2)\mathcal{O}(h^2+\Delta t^{1/2}) and for additive noise, we achieve optimal order O(h2+Δt)\mathcal{O}(h^2+\Delta t). In contrast to current work in the literature, where the optimal convergence orders are achieved for additive noise by incorporating further regularity assumptions on the nonlinear drift function, our optimal convergence orders are obtained under only the standard Lipschitz condition of the nonlinear drift term. Numerical experiments to sustain our theoretical results are provided.
The quantization problem aims to find the best possible approximation of probability measures on Rd{\mathbb{R}}^d using finite, discrete measures. The Wasserstein distance is a typical choice to measure the quality of the approximation. This contribution investigates the properties and robustness of the entropy-regularized quantization problem, which relaxes the standard quantization problem. The proposed approximation technique naturally adopts the softmin function, which is well known for its robustness in terms of theoretical and practicability standpoints. Moreover, we use the entropy-regularized Wasserstein distance to evaluate the quality of the soft quantization problem's approximation, and we implement a stochastic gradient approach to achieve the optimal solutions. The control parameter in our proposed method allows for the adjustment of the optimization problem's difficulty level, providing significant advantages when dealing with exceptionally challenging problems of interest. As well, this contribution empirically illustrates the performance of the method in various expositions.
Brehm's extension theorem states that a non-expansive map on a finite subset of a Euclidean space can be extended to a piecewise-linear map on the entire space. In this note, it is verified that the proof of the theorem is constructive provided that the finite subset consists of points with rational coordinates. Additionally, the initial non-expansive map needs to send points with rational coordinates to points with rational coordinates. The two-dimensional case is considered.
We present conditions that allow us to pass from the convergence of probability measures in distribution to the uniform convergence of the associated quantile functions. Under these conditions, one can in particular pass from the asymptotic distribution of collections of real numbers, such as the eigenvalues of a family of nn-by-nn matrices as nn goes to infinity, to their uniform approximation by the values of the quantile function at equidistant points. For Hermitian Toeplitz-like matrices, convergence in distribution is ensured by theorems of the Szeg\H{o} type. Our results transfer these convergence theorems into uniform convergence statements.
The population annealing algorithm is a population-based equilibrium version of simulated annealing. It can sample thermodynamic systems with rough free-energy landscapes more efficiently than standard Markov chain Monte Carlo alone. A number of parameters can be fine-tuned to improve the performance of the population annealing algorithm. While there is some numerical and theoretical work on most of these parameters, there appears to be a gap in the literature concerning the role of resampling in population annealing which this work attempts to close. The two-dimensional Ising model is used as a benchmarking system for this study. At first various resampling methods are implemented and numerically compared. In a second part the exact solution of the Ising model is utilized to create an artificial population annealing setting with effectively infinite Monte Carlo updates at each temperature. This limit is first performed on finite population sizes and subsequently extended to infinite populations. This allows us to look at resampling isolated from other parameters. Many results are expected to generalize to other systems.
We investigate the critical behavior of the two-dimensional spin-11 Baxter-Wu model in the presence of a crystal-field coupling Δ\Delta with the goal of determining the universality class of transitions along the second-order part of the transition line as one approaches the putative location of the multicritical point. We employ extensive Monte Carlo simulations using two different methodologies: (i) a study of the zeros of the energy probability distribution, closely related to the Fisher zeros of the partition function, and (ii) the well-established multicanonical approach employed to study the probability distribution of the crystal-field energy. A detailed finite-size scaling analysis in the regime of second-order phase transitions in the (Δ,T)(\Delta, T) phase diagram supports previous claims that the transition belongs to the universality class of the 44-state Potts model. For positive values of Δ\Delta, we observe the presence of strong finite-size effects, indicative of crossover effects due to the proximity of the first-order part of the transition line. Finally, we demonstrate how a combination of cluster and heat-bath updates allows one to equilibrate larger systems, and we demonstrate the potential of this approach for resolving the ambiguities observed in the regime of Δ0\Delta \gtrsim 0.
We investigate the sensitivity of the time evolution of a kinetic Ising model with Glauber dynamics against the initial conditions. To do so we apply the "damage spreading" method, i.e., we study the simultaneous evolution of two identical systems subjected to the same thermal noise. We derive a master equation for the joint probability distribution of the two systems. We then solve this master equation within an effective-field approximation which goes beyond the usual mean-field approximation by retaining the fluctuations though in a quite simplistic manner. The resulting effective-field theory is applied to different physical situations. It is used to analyze the fixed points of the master equation and their stability and to identify regular and chaotic phases of the Glauber Ising model. We also discuss the relation of our results to directed percolation.
Self-assembled monolayers of α\alpha-polyalanine helices exhibit distinct structural phases with implications for chiral-induced spin selectivity. We combine scanning tunneling microscopy and theoretical modeling to reveal how chiral composition governs supramolecular organization. Enantiopure systems form hexagonal lattices, while racemic mixtures organize into rectangular phases with stripe-like features. Our SCC-DFTB derived interaction potentials show that opposite-handed helix pairs exhibit stronger binding and closer packing, explaining the denser racemic structures. Crucially, we demonstrate that the observed STM contrast arises from anti-parallel alignment of opposite-handed helices rather than physical height variations. These findings establish fundamental structure-property relationships for designing peptide-based spintronic materials.
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