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The generalized Golub-Kahan bidiagonalization has been used to solve saddle-point systems where the leading block is symmetric and positive definite. We extend this iterative method for the case where the symmetry condition no longer holds. We do so by relying on the known connection the algorithm has with the Conjugate Gradient method and following the line of reasoning that adapts the latter into the Full Orthogonalization Method. We propose appropriate stopping criteria based on the residual and an estimate of the energy norm for the error associated with the primal variable. Numerical comparison with GMRES highlights the advantages of our proposed strategy regarding its low memory requirements and the associated implications.

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在數學中,鞍點或極大極小點是函數圖形表面上的一點,其正交方向上的斜率(導數)都為零,但它不是函數的局部極值。鞍點是在某一軸向(峰值之間)有一個相對最小的臨界點,在交叉軸上有一個相對最大的臨界點。

Threshold selection is a fundamental problem in any threshold-based extreme value analysis. While models are asymptotically motivated, selecting an appropriate threshold for finite samples can be difficult through standard methods. Inference can also be highly sensitive to the choice of threshold. Too low a threshold choice leads to bias in the fit of the extreme value model, while too high a choice leads to unnecessary additional uncertainty in the estimation of model parameters. In this paper, we develop a novel methodology for automated threshold selection that directly tackles this bias-variance trade-off. We also develop a method to account for the uncertainty in this threshold choice and propagate this uncertainty through to high quantile inference. Through a simulation study, we demonstrate the effectiveness of our method for threshold selection and subsequent extreme quantile estimation. We apply our method to the well-known, troublesome example of the River Nidd dataset.

The aromatic bicomplex is an algebraic tool based on aromatic Butcher trees and used in particular for the explicit description of volume-preserving affine-equivariant numerical integrators. The present work defines new tools inspired from variational calculus such as the Lie derivative, different concepts of symmetries, and Noether's theory in the context of aromatic forests. The approach allows to draw a correspondence between aromatic volume-preserving methods and symmetries on the Euler-Lagrange complex, to write Noether's theorem in the aromatic context, and to describe the aromatic B-series of volume-preserving methods explicitly with the Lie derivative.

We analyse the geometric instability of embeddings produced by graph neural networks (GNNs). Existing methods are only applicable for small graphs and lack context in the graph domain. We propose a simple, efficient and graph-native Graph Gram Index (GGI) to measure such instability which is invariant to permutation, orthogonal transformation, translation and order of evaluation. This allows us to study the varying instability behaviour of GNN embeddings on large graphs for both node classification and link prediction.

A simple way of obtaining robust estimates of the "center" (or the "location") and of the "scatter" of a dataset is to use the maximum likelihood estimate with a class of heavy-tailed distributions, regardless of the "true" distribution generating the data. We observe that the maximum likelihood problem for the Cauchy distributions, which have particularly heavy tails, is geodesically convex and therefore efficiently solvable (Cauchy distributions are parametrized by the upper half plane, i.e. by the hyperbolic plane). Moreover, it has an appealing geometrical meaning: the datapoints, living on the boundary of the hyperbolic plane, are attracting the parameter by unit forces, and we search the point where these forces are in equilibrium. This picture generalizes to several classes of multivariate distributions with heavy tails, including, in particular, the multivariate Cauchy distributions. The hyperbolic plane gets replaced by symmetric spaces of noncompact type. Geodesic convexity gives us an efficient numerical solution of the maximum likelihood problem for these distribution classes. This can then be used for robust estimates of location and spread, thanks to the heavy tails of these distributions.

A system of coupled oscillators on an arbitrary graph is locally driven by the tendency to mutual synchronization between nearby oscillators, but can and often exhibit nonlinear behavior on the whole graph. Understanding such nonlinear behavior has been a key challenge in predicting whether all oscillators in such a system will eventually synchronize. In this paper, we demonstrate that, surprisingly, such nonlinear behavior of coupled oscillators can be effectively linearized in certain latent dynamic spaces. The key insight is that there is a small number of `latent dynamics filters', each with a specific association with synchronizing and non-synchronizing dynamics on subgraphs so that any observed dynamics on subgraphs can be approximated by a suitable linear combination of such elementary dynamic patterns. Taking an ensemble of subgraph-level predictions provides an interpretable predictor for whether the system on the whole graph reaches global synchronization. We propose algorithms based on supervised matrix factorization to learn such latent dynamics filters. We demonstrate that our method performs competitively in synchronization prediction tasks against baselines and black-box classification algorithms, despite its simple and interpretable architecture.

This document defines a method for FIR system modelling which is very trivial as it only depends on phase introduction and removal (allpass filters). As magnitude is not altered, the processing is numerically stable. It is limited to phase alteration which maintains the time domain magnitude to force a system within its linear limits.

Common regularization algorithms for linear regression, such as LASSO and Ridge regression, rely on a regularization hyperparameter that balances the tradeoff between minimizing the fitting error and the norm of the learned model coefficients. As this hyperparameter is scalar, it can be easily selected via random or grid search optimizing a cross-validation criterion. However, using a scalar hyperparameter limits the algorithm's flexibility and potential for better generalization. In this paper, we address the problem of linear regression with l2-regularization, where a different regularization hyperparameter is associated with each input variable. We optimize these hyperparameters using a gradient-based approach, wherein the gradient of a cross-validation criterion with respect to the regularization hyperparameters is computed analytically through matrix differential calculus. Additionally, we introduce two strategies tailored for sparse model learning problems aiming at reducing the risk of overfitting to the validation data. Numerical examples demonstrate that our multi-hyperparameter regularization approach outperforms LASSO, Ridge, and Elastic Net regression. Moreover, the analytical computation of the gradient proves to be more efficient in terms of computational time compared to automatic differentiation, especially when handling a large number of input variables. Application to the identification of over-parameterized Linear Parameter-Varying models is also presented.

We address the communication overhead of distributed sparse matrix-(multiple)-vector multiplication in the context of large-scale eigensolvers, using filter diagonalization as an example. The basis of our study is a performance model which includes a communication metric that is computed directly from the matrix sparsity pattern without running any code. The performance model quantifies to which extent scalability and parallel efficiency are lost due to communication overhead. To restore scalability, we identify two orthogonal layers of parallelism in the filter diagonalization technique. In the horizontal layer the rows of the sparse matrix are distributed across individual processes. In the vertical layer bundles of multiple vectors are distributed across separate process groups. An analysis in terms of the communication metric predicts that scalability can be restored if, and only if, one implements the two orthogonal layers of parallelism via different distributed vector layouts. Our theoretical analysis is corroborated by benchmarks for application matrices from quantum and solid state physics, road networks, and nonlinear programming. We finally demonstrate the benefits of using orthogonal layers of parallelism with two exemplary application cases -- an exciton and a strongly correlated electron system -- which incur either small or large communication overhead.

Improving the resolution of fluorescence microscopy beyond the diffraction limit can be achievedby acquiring and processing multiple images of the sample under different illumination conditions.One of the simplest techniques, Random Illumination Microscopy (RIM), forms the super-resolvedimage from the variance of images obtained with random speckled illuminations. However, thevalidity of this process has not been fully theorized. In this work, we characterize mathematicallythe sample information contained in the variance of diffraction-limited speckled images as a functionof the statistical properties of the illuminations. We show that an unambiguous two-fold resolutiongain is obtained when the speckle correlation length coincides with the width of the observationpoint spread function. Last, we analyze the difference between the variance-based techniques usingrandom speckled illuminations (as in RIM) and those obtained using random fluorophore activation(as in Super-resolution Optical Fluctuation Imaging, SOFI).

The number of sampling methods could be daunting for a practitioner looking to cast powerful machine learning methods to their specific problem. This paper takes a theoretical stance to review and organize many sampling approaches in the ``generative modeling'' setting, where one wants to generate new data that are similar to some training examples. By revealing links between existing methods, it might prove useful to overcome some of the current challenges in sampling with diffusion models, such as long inference time due to diffusion simulation, or the lack of diversity in generated samples.

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