The direct parametrisation method for invariant manifold is a model-order reduction technique that can be directly applied to finite element problems in order to derive efficient and converged reduced-order models (ROMs) for non-linear structures. In the field of nonlinear vibrations, it has already been applied to autonomous and non-autonomous problems in order to propose ROMs that can compute backbones and frequency-response curves of structures with geometric nonlinearity. While previous developments used a first-order development in order to cope with the non-autonomous term, this assumption is here relaxed by proposing a completely different treatment. The key idea is to enlarge the dimension of the dynamical system to make it autonomous and treat the added coordinates related to the forcing as already being written with normal coordinates. The parametrisation method is derived with this starting assumption and, as a key consequence, the resonance relationships appearing through the homological equations involve multiple occurrences of the forcing frequency, showing that with this new development, one is able to compute ROMs for superharmonic resonance. The method is implemented and validated on academic test cases involving beams and arches. It is numerically demonstrated that the method generates efficient ROMs for 3:1 and 2:1 superharmonic resonances, as well as converged results for problems where the first-order truncation on the non-autonomous terms used in previous developments showed a clear limitation.
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This work puts forth low-complexity Riemannian subspace descent algorithms for the minimization of functions over the symmetric positive definite (SPD) manifold. Different from the existing Riemannian gradient descent variants, the proposed approach utilizes carefully chosen subspaces that allow the update to be written as a product of the Cholesky factor of the iterate and a sparse matrix. The resulting updates avoid the costly matrix operations like matrix exponentiation and dense matrix multiplication, which are generally required in almost all other Riemannian optimization algorithms on SPD manifold. We further identify a broad class of functions, arising in diverse applications, such as kernel matrix learning, covariance estimation of Gaussian distributions, maximum likelihood parameter estimation of elliptically contoured distributions, and parameter estimation in Gaussian mixture model problems, over which the Riemannian gradients can be calculated efficiently. The proposed uni-directional and multi-directional Riemannian subspace descent variants incur per-iteration complexities of $\mathcal{O}(n)$ and $\mathcal{O}(n^2)$ respectively, as compared to the $\mathcal{O}(n^3)$ or higher complexity incurred by all existing Riemannian gradient descent variants. The superior runtime and low per-iteration complexity of the proposed algorithms is also demonstrated via numerical tests on large-scale covariance estimation problems.
Stochastic inversion problems are typically encountered when it is wanted to quantify the uncertainty affecting the inputs of computer models. They consist in estimating input distributions from noisy, observable outputs, and such problems are increasingly examined in Bayesian contexts where the targeted inputs are affected by stochastic uncertainties. In this regard, a stochastic input can be qualified as meaningful if it explains most of the output uncertainty. While such inverse problems are characterized by identifiability conditions, constraints of "signal to noise", that can formalize this meaningfulness, should be accounted for within the definition of the model, prior to inference. This article investigates the possibility of forcing a solution to be meaningful in the context of parametric uncertainty quantification, through the tools of global sensitivity analysis and information theory (variance, entropy, Fisher information). Such forcings have mainly the nature of constraints placed on the input covariance, and can be made explicit by considering linear or linearizable models. Simulated experiments indicate that, when injected into the modeling process, these constraints can limit the influence of measurement or process noise on the estimation of the input distribution, and let hope for future extensions in a full non-linear framework, for example through the use of linear Gaussian mixtures.
The main computational cost per iteration of adaptive cubic regularization methods for solving large-scale nonconvex problems is the computation of the step $s_k$, which requires an approximate minimizer of the cubic model. We propose a new approach in which this minimizer is sought in a low dimensional subspace that, in contrast to classical approaches, is reused for a number of iterations. A regularized Newton step to correct $s_k$ is also incorporated whenever needed. We show that our method increases efficiency while preserving the worst-case complexity of classical cubic regularized methods. We also explore the use of rational Krylov subspaces for the subspace minimization, to overcome some of the issues encountered when using polynomial Krylov subspaces. We provide several experimental results illustrating the gains of the new approach when compared to classic implementations.
In this study, we consider a class of non-autonomous time-fractional partial advection-diffusion-reaction (TF-ADR) equations with Caputo type fractional derivative. To obtain the numerical solution of the model problem, we apply the non-symmetric interior penalty Galerkin (NIPG) method in space on a uniform mesh and the L1-scheme in time on a graded mesh. It is demonstrated that the computed solution is discretely stable. Superconvergence of error estimates for the proposed method are obtained using the discrete energy-norm. Also, we have applied the proposed method to solve semilinear problems after linearizing by the Newton linearization process. The theoretical results are verified through numerical experiments.
The use of Air traffic management (ATM) simulators for planing and operations can be challenging due to their modelling complexity. This paper presents XALM (eXplainable Active Learning Metamodel), a three-step framework integrating active learning and SHAP (SHapley Additive exPlanations) values into simulation metamodels for supporting ATM decision-making. XALM efficiently uncovers hidden relationships among input and output variables in ATM simulators, those usually of interest in policy analysis. Our experiments show XALM's predictive performance comparable to the XGBoost metamodel with fewer simulations. Additionally, XALM exhibits superior explanatory capabilities compared to non-active learning metamodels. Using the `Mercury' (flight and passenger) ATM simulator, XALM is applied to a real-world scenario in Paris Charles de Gaulle airport, extending an arrival manager's range and scope by analysing six variables. This case study illustrates XALM's effectiveness in enhancing simulation interpretability and understanding variable interactions. By addressing computational challenges and improving explainability, XALM complements traditional simulation-based analyses. Lastly, we discuss two practical approaches for reducing the computational burden of the metamodelling further: we introduce a stopping criterion for active learning based on the inherent uncertainty of the metamodel, and we show how the simulations used for the metamodel can be reused across key performance indicators, thus decreasing the overall number of simulations needed.
This note presents a refined local approximation for the logarithm of the ratio between the negative multinomial probability mass function and a multivariate normal density, both having the same mean-covariance structure. This approximation, which is derived using Stirling's formula and a meticulous treatment of Taylor expansions, yields an upper bound on the Hellinger distance between the jittered negative multinomial distribution and the corresponding multivariate normal distribution. Upper bounds on the Le Cam distance between negative multinomial and multivariate normal experiments ensue.
Particle methods based on evolving the spatial derivatives of the solution were originally introduced to simulate reaction-diffusion processes, inspired by vortex methods for the Navier--Stokes equations. Such methods, referred to as gradient random walk methods, were extensively studied in the '90s and have several interesting features, such as being grid free, automatically adapting to the solution by concentrating elements where the gradient is large and significantly reducing the variance of the standard random walk approach. In this work, we revive these ideas by showing how to generalize the approach to a larger class of partial differential equations, including hyperbolic systems of conservation laws. To achieve this goal, we first extend the classical Monte Carlo method to relaxation approximation of systems of conservation laws, and subsequently consider a novel particle dynamics based on the spatial derivatives of the solution. The methodology, combined with asymptotic-preserving splitting discretization, yields a way to construct a new class of gradient-based Monte Carlo methods for hyperbolic systems of conservation laws. Several results in one spatial dimension for scalar equations and systems of conservation laws show that the new methods are very promising and yield remarkable improvements compared to standard Monte Carlo approaches, either in terms of variance reduction as well as in describing the shock structure.
Partially linear additive models generalize linear ones since they model the relation between a response variable and covariates by assuming that some covariates have a linear relation with the response but each of the others enter through unknown univariate smooth functions. The harmful effect of outliers either in the residuals or in the covariates involved in the linear component has been described in the situation of partially linear models, that is, when only one nonparametric component is involved in the model. When dealing with additive components, the problem of providing reliable estimators when atypical data arise, is of practical importance motivating the need of robust procedures. Hence, we propose a family of robust estimators for partially linear additive models by combining $B-$splines with robust linear regression estimators. We obtain consistency results, rates of convergence and asymptotic normality for the linear components, under mild assumptions. A Monte Carlo study is carried out to compare the performance of the robust proposal with its classical counterpart under different models and contamination schemes. The numerical experiments show the advantage of the proposed methodology for finite samples. We also illustrate the usefulness of the proposed approach on a real data set.
Kinetic approaches are generally accurate in dealing with microscale plasma physics problems but are computationally expensive for large-scale or multiscale systems. One of the long-standing problems in plasma physics is the integration of kinetic physics into fluid models, which is often achieved through sophisticated analytical closure terms. In this paper, we successfully construct a multi-moment fluid model with an implicit fluid closure included in the neural network using machine learning. The multi-moment fluid model is trained with a small fraction of sparsely sampled data from kinetic simulations of Landau damping, using the physics-informed neural network (PINN) and the gradient-enhanced physics-informed neural network (gPINN). The multi-moment fluid model constructed using either PINN or gPINN reproduces the time evolution of the electric field energy, including its damping rate, and the plasma dynamics from the kinetic simulations. In addition, we introduce a variant of the gPINN architecture, namely, gPINN$p$ to capture the Landau damping process. Instead of including the gradients of all the equation residuals, gPINN$p$ only adds the gradient of the pressure equation residual as one additional constraint. Among the three approaches, the gPINN$p$-constructed multi-moment fluid model offers the most accurate results. This work sheds light on the accurate and efficient modeling of large-scale systems, which can be extended to complex multiscale laboratory, space, and astrophysical plasma physics problems.
Occupancy models are frequently used by ecologists to quantify spatial variation in species distributions while accounting for observational biases in the collection of detection-nondetection data. However, the common assumption that a single set of regression coefficients can adequately explain species-environment relationships is often unrealistic, especially across large spatial domains. Here we develop single-species (i.e., univariate) and multi-species (i.e., multivariate) spatially-varying coefficient (SVC) occupancy models to account for spatially-varying species-environment relationships. We employ Nearest Neighbor Gaussian Processes and Polya-Gamma data augmentation in a hierarchical Bayesian framework to yield computationally efficient Gibbs samplers, which we implement in the spOccupancy R package. For multi-species models, we use spatial factor dimension reduction to efficiently model datasets with large numbers of species (e.g., > 10). The hierarchical Bayesian framework readily enables generation of posterior predictive maps of the SVCs, with fully propagated uncertainty. We apply our SVC models to quantify spatial variability in the relationships between maximum breeding season temperature and occurrence probability of 21 grassland bird species across the U.S. Jointly modeling species generally outperformed single-species models, which all revealed substantial spatial variability in species occurrence relationships with maximum temperatures. Our models are particularly relevant for quantifying species-environment relationships using detection-nondetection data from large-scale monitoring programs, which are becoming increasingly prevalent for answering macroscale ecological questions regarding wildlife responses to global change.
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