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Forman-Ricci curvature (FRC) is a potent and powerful tool for analysing empirical networks, as the distribution of the curvature values can identify structural information that is not readily detected by other geometrical methods. Crucially, FRC captures higher-order structural information of clique complexes of a graph or Vietoris-Rips complexes, which is not readily accessible to alternative methods. However, existing FRC platforms are prohibitively computationally expensive. Therefore, herein we develop an efficient set-theoretic formulation for computing such high-order FRC in complex networks. Significantly, our set theory representation reveals previous computational bottlenecks and also accelerates the computation of FRC. Finally, We provide a pseudo-code, a software implementation coined FastForman, as well as a benchmark comparison with alternative implementations. We envisage that FastForman will be used in Topological and Geometrical Data analysis for high-dimensional complex data sets.

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Several mixed-effects models for longitudinal data have been proposed to accommodate the non-linearity of late-life cognitive trajectories and assess the putative influence of covariates on it. No prior research provides a side-by-side examination of these models to offer guidance on their proper application and interpretation. In this work, we examined five statistical approaches previously used to answer research questions related to non-linear changes in cognitive aging: the linear mixed model (LMM) with a quadratic term, LMM with splines, the functional mixed model, the piecewise linear mixed model, and the sigmoidal mixed model. We first theoretically describe the models. Next, using data from two prospective cohorts with annual cognitive testing, we compared the interpretation of the models by investigating associations of education on cognitive change before death. Lastly, we performed a simulation study to empirically evaluate the models and provide practical recommendations. Except for the LMM-quadratic, the fit of all models was generally adequate to capture non-linearity of cognitive change and models were relatively robust. Although spline-based models have no interpretable nonlinearity parameters, their convergence was easier to achieve, and they allow graphical interpretation. In contrast, piecewise and sigmoidal models, with interpretable non-linear parameters, may require more data to achieve convergence.

Multiphysics simulations frequently require transferring solution fields between subproblems with non-matching spatial discretizations, typically using interpolation techniques. Standard methods are usually based on measuring the closeness between points by means of the Euclidean distance, which does not account for curvature, cuts, cavities or other non-trivial geometrical or topological features of the domain. This may lead to spurious oscillations in the interpolant in proximity to these features. To overcome this issue, we propose a modification to rescaled localized radial basis function (RL-RBF) interpolation to account for the geometry of the interpolation domain, by yielding conformity and fidelity to geometrical and topological features. The proposed method, referred to as RL-RBF-G, relies on measuring the geodesic distance between data points. RL-RBF-G removes spurious oscillations appearing in the RL-RBF interpolant, resulting in increased accuracy in domains with complex geometries. We demonstrate the effectiveness of RL-RBF-G interpolation through a convergence study in an idealized setting. Furthermore, we discuss the algorithmic aspects and the implementation of RL-RBF-G interpolation in a distributed-memory parallel framework, and present the results of a strong scalability test yielding nearly ideal results. Finally, we show the effectiveness of RL-RBF-G interpolation in multiphysics simulations by considering an application to a whole-heart cardiac electromecanics model.

For problems of time-harmonic scattering by rational polygonal obstacles, embedding formulae express the far-field pattern induced by any incident plane wave in terms of the far-field patterns for a relatively small (frequency-independent) set of canonical incident angles. Although these remarkable formulae are exact in theory, here we demonstrate that: (i) they are highly sensitive to numerical errors in practice, and (ii) direct calculation of the coefficients in these formulae may be impossible for particular sets of canonical incident angles, even in exact arithmetic. Only by overcoming these practical issues can embedding formulae provide a highly efficient approach to computing the far-field pattern induced by a large number of incident angles. Here we address challenges (i) and (ii), supporting our theory with numerical experiments. Challenge (i) is solved using techniques from computational complex analysis: we reformulate the embedding formula as a complex contour integral and prove that this is much less sensitive to numerical errors. In practice, this contour integral can be efficiently evaluated by residue calculus. Challenge (ii) is addressed using techniques from numerical linear algebra: we oversample, considering more canonical incident angles than are necessary, thus expanding the set of valid coefficient vectors. The coefficient vector can then be selected using either a least squares approach or column subset selection.

In this paper, we consider the task of efficiently computing the numerical solution of evolutionary complex Ginzburg--Landau equations. To this aim, we employ high-order exponential methods of splitting and Lawson type for the time integration. These schemes enjoy favorable stability properties and, in particular, do not show restrictions on the time step size due to the underlying stiffness of the models. The needed actions of matrix exponentials are efficiently realized with pointwise operations in Fourier space (when the model is considered with periodic boundary conditions) or by using a tensor-oriented approach that suitably employs the so-called $\mu$-mode products (when the semidiscretization in space is performed with finite differences). The overall effectiveness of the approach is demonstrated by running simulations on a variety of two- and three-dimensional (systems of) complex Ginzburg--Landau equations with cubic and cubic-quintic nonlinearities, which are widely considered in literature to model relevant physical phenomena. In fact, in all instances high-order exponential-type schemes can outperform standard techniques to integrate in time the models under consideration, i.e., the well-known split-step method and the explicit fourth-order Runge--Kutta integrator.

High-dimensional matrix regression has been studied in various aspects, such as statistical properties, computational efficiency and application to specific instances including multivariate regression, system identification and matrix compressed sensing. Current studies mainly consider the idealized case that the covariate matrix is obtained without noise, while the more realistic scenario that the covariates may always be corrupted with noise or missing data has received little attention. We consider the general errors-in-variables matrix regression model and proposed a unified framework for low-rank estimation based on nonconvex spectral regularization. Then in the statistical aspect, recovery bounds for any stationary points are provided to achieve statistical consistency. In the computational aspect, the proximal gradient method is applied to solve the nonconvex optimization problem and is proved to converge in polynomial time. Consequences for specific matrix compressed sensing models with additive noise and missing data are obtained via verifying corresponding regularity conditions. Finally, the performance of the proposed nonconvex estimation method is illustrated by numerical experiments.

Iterated conditional expectation (ICE) g-computation is an estimation approach for addressing time-varying confounding for both longitudinal and time-to-event data. Unlike other g-computation implementations, ICE avoids the need to specify models for each time-varying covariate. For variance estimation, previous work has suggested the bootstrap. However, bootstrapping can be computationally intense and sensitive to the number of resamples used. Here, we present ICE g-computation as a set of stacked estimating equations. Therefore, the variance for the ICE g-computation estimator can be consistently estimated using the empirical sandwich variance estimator. Performance of the variance estimator was evaluated empirically with a simulation study. The proposed approach is also demonstrated with an illustrative example on the effect of cigarette smoking on the prevalence of hypertension. In the simulation study, the empirical sandwich variance estimator appropriately estimated the variance. When comparing runtimes between the sandwich variance estimator and the bootstrap for the applied example, the sandwich estimator was substantially faster, even when bootstraps were run in parallel. The empirical sandwich variance estimator is a viable option for variance estimation with ICE g-computation.

The consistency of the maximum likelihood estimator for mixtures of elliptically-symmetric distributions for estimating its population version is shown, where the underlying distribution $P$ is nonparametric and does not necessarily belong to the class of mixtures on which the estimator is based. In a situation where $P$ is a mixture of well enough separated but nonparametric distributions it is shown that the components of the population version of the estimator correspond to the well separated components of $P$. This provides some theoretical justification for the use of such estimators for cluster analysis in case that $P$ has well separated subpopulations even if these subpopulations differ from what the mixture model assumes.

We prove non-asymptotic error bounds for particle gradient descent (PGD)~(Kuntz et al., 2023), a recently introduced algorithm for maximum likelihood estimation of large latent variable models obtained by discretizing a gradient flow of the free energy. We begin by showing that, for models satisfying a condition generalizing both the log-Sobolev and the Polyak--{\L}ojasiewicz inequalities (LSI and P{\L}I, respectively), the flow converges exponentially fast to the set of minimizers of the free energy. We achieve this by extending a result well-known in the optimal transport literature (that the LSI implies the Talagrand inequality) and its counterpart in the optimization literature (that the P{\L}I implies the so-called quadratic growth condition), and applying it to our new setting. We also generalize the Bakry--\'Emery Theorem and show that the LSI/P{\L}I generalization holds for models with strongly concave log-likelihoods. For such models, we further control PGD's discretization error, obtaining non-asymptotic error bounds. While we are motivated by the study of PGD, we believe that the inequalities and results we extend may be of independent interest.

We introduce a causal regularisation extension to anchor regression (AR) for improved out-of-distribution (OOD) generalisation. We present anchor-compatible losses, aligning with the anchor framework to ensure robustness against distribution shifts. Various multivariate analysis (MVA) algorithms, such as (Orthonormalized) PLS, RRR, and MLR, fall within the anchor framework. We observe that simple regularisation enhances robustness in OOD settings. Estimators for selected algorithms are provided, showcasing consistency and efficacy in synthetic and real-world climate science problems. The empirical validation highlights the versatility of anchor regularisation, emphasizing its compatibility with MVA approaches and its role in enhancing replicability while guarding against distribution shifts. The extended AR framework advances causal inference methodologies, addressing the need for reliable OOD generalisation.

We survey recent developments in the field of complexity of pathwise approximation in $p$-th mean of the solution of a stochastic differential equation at the final time based on finitely many evaluations of the driving Brownian motion. First, we briefly review the case of equations with globally Lipschitz continuous coefficients, for which an error rate of at least $1/2$ in terms of the number of evaluations of the driving Brownian motion is always guaranteed by using the equidistant Euler-Maruyama scheme. Then we illustrate that giving up the global Lipschitz continuity of the coefficients may lead to a non-polynomial decay of the error for the Euler-Maruyama scheme or even to an arbitrary slow decay of the smallest possible error that can be achieved on the basis of finitely many evaluations of the driving Brownian motion. Finally, we turn to recent positive results for equations with a drift coefficient that is not globally Lipschitz continuous. Here we focus on scalar equations with a Lipschitz continuous diffusion coefficient and a drift coefficient that satisfies piecewise smoothness assumptions or has fractional Sobolev regularity and we present corresponding complexity results.

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