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This paper introduces a new theoretical and computational framework for a data driven Koopman mode analysis of nonlinear dynamics. To alleviate the potential problem of ill-conditioned eigenvectors in the existing implementations of the Dynamic Mode Decomposition (DMD) and the Extended Dynamic Mode Decomposition (EDMD), the new method introduces a Koopman-Schur decomposition that is entirely based on unitary transformations. The analysis in terms of the eigenvectors as modes of a Koopman operator compression is replaced with a modal decomposition in terms of a flag of invariant subspaces that correspond to selected eigenvalues. The main computational tool from the numerical linear algebra is the partial ordered Schur decomposition that provides convenient orthonormal bases for these subspaces. In the case of real data, a real Schur form is used and the computation is based on real orthogonal transformations. The new computational scheme is presented in the framework of the Extended DMD and the kernel trick is used.

We provide an overview of recent progress in statistical inverse problems with random experimental design, covering both linear and nonlinear inverse problems. Different regularization schemes have been studied to produce robust and stable solutions. We discuss recent results in spectral regularization methods and regularization by projection, exploring both approaches within the context of Hilbert scales and presenting new insights particularly in regularization by projection. Additionally, we overview recent advancements in regularization using convex penalties. Convergence rates are analyzed in terms of the sample size in a probabilistic sense, yielding minimax rates in both expectation and probability. To achieve these results, the structure of reproducing kernel Hilbert spaces is leveraged to establish minimax rates in the statistical learning setting. We detail the assumptions underpinning these key elements of our proofs. Finally, we demonstrate the application of these concepts to nonlinear inverse problems in pharmacokinetic/pharmacodynamic (PK/PD) models, where the task is to predict changes in drug concentrations in patients.

In this work, we present the physics-informed neural network (PINN) model applied particularly to dynamic problems in solid mechanics. We focus on forward and inverse problems. Particularly, we show how a PINN model can be used efficiently for material identification in a dynamic setting. In this work, we assume linear continuum elasticity. We show results for two-dimensional (2D) plane strain problem and then we proceed to apply the same techniques for a three-dimensional (3D) problem. As for the training data we use the solution based on the finite element method. We rigorously show that PINN models are accurate, robust and computationally efficient, especially as a surrogate model for material identification problems. Also, we employ state-of-the-art techniques from the PINN literature which are an improvement to the vanilla implementation of PINN. Based on our results, we believe that the framework we have developed can be readily adapted to computational platforms for solving multiple dynamic problems in solid mechanics.

This paper presents the first application of the direct parametrisation method for invariant manifolds to a fully coupled multiphysics problem involving the nonlinear vibrations of deformable structures subjected to an electrostatic field. The formulation proposed is intended for model order reduction of electrostatically actuated resonating Micro-Electro-Mechanical Systems (MEMS). The continuous problem is first rewritten in a manner that can be directly handled by the parametrisation method, which relies upon automated asymptotic expansions. A new mixed fully Lagrangian formulation is thus proposed which contains only explicit polynomial nonlinearities, which is then discretised in the framework of finite element procedures. Validation is performed on the classical parallel plate configuration, where different formulations using either the general framework, or an approximation of the electrostatic field due to the geometric configuration selected, are compared. Reduced-order models along these formulations are also compared to full-order simulations operated with a time integration approach. Numerical results show a remarkable performance both in terms of accuracy and wealth of nonlinear effects that can be accounted for. In particular, the transition from hardening to softening behaviour of the primary resonance while increasing the constant voltage component of the electric actuation, is recovered. Secondary resonances leading to superharmonic and parametric resonances are also investigated with the reduced-order model.

Many interesting physical problems described by systems of hyperbolic conservation laws are stiff, and thus impose a very small time-step because of the restrictive CFL stability condition. In this case, one can exploit the superior stability properties of implicit time integration which allows to choose the time-step only from accuracy requirements, and thus avoid the use of small time-steps. We discuss an efficient framework to devise high order implicit schemes for stiff hyperbolic systems without tailoring it to a specific problem. The nonlinearity of high order schemes, due to space- and time-limiting procedures which control nonphysical oscillations, makes the implicit time integration difficult, e.g.~because the discrete system is nonlinear also on linear problems. This nonlinearity of the scheme is circumvented as proposed in (Puppo et al., Comm.~Appl.~Math.~\& Comput., 2023) for scalar conservation laws, where a first order implicit predictor is computed to freeze the nonlinear coefficients of the essentially non-oscillatory space reconstruction, and also to assist limiting in time. In addition, we propose a novel conservative flux-centered a-posteriori time-limiting procedure using numerical entropy indicators to detect troubled cells. The numerical tests involve classical and artificially devised stiff problems using the Euler's system of gas-dynamics.

Nowadays, machine learning algorithms continue to grow in complexity and require a substantial amount of computational resources and energy. For these reasons, there is a growing awareness of the development of new green algorithms and distributed AI can contribute to this. Federated learning (FL) is one of the most active research lines in machine learning, as it allows the training of collaborative models in a distributed way, an interesting option in many real-world environments, such as the Internet of Things, allowing the use of these models in edge computing devices. In this work, we present a FL method, based on a neural network without hidden layers, capable of generating a global collaborative model in a single training round, unlike traditional FL methods that require multiple rounds for convergence. This allows obtaining an effective and efficient model that simplifies the management of the training process. Moreover, this method preserve data privacy by design, a crucial aspect in current data protection regulations. We conducted experiments with large datasets and a large number of federated clients. Despite being based on a network model without hidden layers, it maintains in all cases competitive accuracy results compared to more complex state-of-the-art machine learning models. Furthermore, we show that the method performs equally well in both identically and non-identically distributed scenarios. Finally, it is an environmentally friendly algorithm as it allows significant energy savings during the training process compared to its centralized counterpart.

High-order tensor methods for solving both convex and nonconvex optimization problems have generated significant research interest, leading to algorithms with optimal global rates of convergence and local rates that are faster than Newton's method. On each iteration, these methods require the unconstrained local minimization of a (potentially nonconvex) multivariate polynomial of degree higher than two, constructed using third-order (or higher) derivative information, and regularized by an appropriate power of regularization. Developing efficient techniques for solving such subproblems is an ongoing topic of research, and this paper addresses the case of the third-order tensor subproblem. We propose the CQR algorithmic framework, for minimizing a nonconvex Cubic multivariate polynomial with Quartic Regularisation, by minimizing a sequence of local quadratic models that incorporate simple cubic and quartic terms. The role of the cubic term is to crudely approximate local tensor information, while the quartic one controls model regularization and progress. We provide necessary and sufficient optimality conditions that fully characterise the global minimizers of these cubic-quartic models. We then turn these conditions into secular equations that can be solved using nonlinear eigenvalue techniques. We show, using our optimality characterisations, that a CQR algorithmic variant has the optimal-order evaluation complexity of $\mathcal{O}(\epsilon^{-3/2})$ when applied to minimizing our quartically-regularised cubic subproblem, which can be further improved in special cases. We propose practical CQR variants that use local tensor information to construct the local cubic-quartic models. We test these variants numerically and observe them to be competitive with ARC and other subproblem solvers on typical instances and even superior on ill-conditioned subproblems with special structure.

Partitioned neural network functions are used to approximate the solution of partial differential equations. The problem domain is partitioned into non-overlapping subdomains and the partitioned neural network functions are defined on the given non-overlapping subdomains. Each neural network function then approximates the solution in each subdomain. To obtain the convergent neural network solution, certain continuity conditions on the partitioned neural network functions across the subdomain interface need to be included in the loss function, that is used to train the parameters in the neural network functions. In our work, by introducing suitable interface values, the loss function is reformulated into a sum of localized loss functions and each localized loss function is used to train the corresponding local neural network parameters. In addition, to accelerate the neural network solution convergence, the localized loss function is enriched with an augmented Lagrangian term, where the interface condition and the boundary condition are enforced as constraints on the local solutions by using Lagrange multipliers. The local neural network parameters and Lagrange multipliers are then found by optimizing the localized loss function. To take the advantage of the localized loss function for the parallel computation, an iterative algorithm is also proposed. For the proposed algorithms, their training performance and convergence are numerically studied for various test examples.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.