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The discrete empirical interpolation method (DEIM) is a well-established approach, widely used for state reconstruction using sparse sensor/measurement data, nonlinear model reduction, and interpretable feature selection. We introduce the tensor t-product Q-DEIM (t-Q-DEIM), an extension of the DEIM framework for dealing with tensor-valued data. The proposed approach seeks to overcome one of the key drawbacks of DEIM, viz., the need for matricizing the data, which can distort any structural and/or geometric information. Our method leverages the recently developed tensor t-product algebra to avoid reshaping the data. In analogy with the standard DEIM, we formulate and solve a tensor-valued least-squares problem, whose solution is achieved through an interpolatory projection. We develop a rigorous, computable upper bound for the error resulting from the t-Q-DEIM approximation. Using five different tensor-valued datasets, we numerically illustrate the better approximation properties of t-Q-DEIM and the significant computational cost reduction it offers., Comment: 37 pages, 22 figures, 1 table

Numerically solving a large parametric nonlinear dynamical system is challenging due to its high complexity and the high computational costs. In recent years, machine-learning-aided surrogates are being actively researched. However, many methods fail in accurately generalizing in the entire time interval $[0, T]$, when the training data is available only in a training time interval $[0, T_0]$, with $T_0

This paper presents an energy-preserving machine learning method for inferring reduced-order models (ROMs) by exploiting the multi-symplectic form of partial differential equations (PDEs). The vast majority of energy-preserving reduced-order methods use symplectic Galerkin projection to construct reduced-order Hamiltonian models by projecting the full models onto a symplectic subspace. However, symplectic projection requires the existence of fully discrete operators, and in many cases, such as black-box PDE solvers, these operators are inaccessible. In this work, we propose an energy-preserving machine learning method that can infer the dynamics of the given PDE using data only, so that the proposed framework does not depend on the fully discrete operators. In this context, the proposed method is non-intrusive. The proposed method is grey box in the sense that it requires only some basic knowledge of the multi-symplectic model at the partial differential equation level. We prove that the proposed method satisfies spatially discrete local energy conservation and preserves the multi-symplectic conservation laws. We test our method on the linear wave equation, the Korteweg-de Vries equation, and the Zakharov-Kuznetsov equation. We test the generalization of our learned models by testing them far outside the training time interval.

Model reduction is an active research field to construct low-dimensional surrogate models of high fidelity to accelerate engineering design cycles. In this work, we investigate model reduction for linear structured systems using dominant reachable and observable subspaces. When the training set $-$ containing all possible interpolation points $-$ is large, then these subspaces can be determined by solving many large-scale linear systems. However, for high-fidelity models, this easily becomes computationally intractable. To circumvent this issue, in this work, we propose an active sampling strategy to sample only a few points from the given training set, which can allow us to estimate those subspaces accurately. To this end, we formulate the identification of the subspaces as the solution of the generalized Sylvester equations, guiding us to select the most relevant samples from the training set to achieve our goals. Consequently, we construct solutions of the matrix equations in low-rank forms, which encode subspace information. We extensively discuss computational aspects and efficient usage of the low-rank factors in the process of obtaining reduced-order models. We illustrate the proposed active sampling scheme to obtain reduced-order models via dominant reachable and observable subspaces and present its comparison with the method where all the points from the training set are taken into account. It is shown that the active sample strategy can provide us $17$x speed-up without sacrificing any noticeable accuracy., Comment: 20 pages, 9 figures

The purpose of the current work is the development and comparison of Fourier neural operators (FNOs) for surrogate modeling of the quasi-static mechanical response of polycrystalline materials. Three types of such FNOs are considered here: a physics-guided FNO (PgFNO), a physics-informed FNO (PiFNO), and a physics-encoded FNO (PeFNO). These are trained and compared with the help of stress field data from a reference model for heterogeneous elastic materials with a periodic grain microstructure. Whereas PgFNO training is based solely on these data, that of the PiFNO and PeFNO is in addition constrained by the requirement that stress fields satisfy mechanical equilibrium, i.e., be divergence-free. The difference between the PiFNO and PeFNO lies in how this constraint is taken into account; in the PiFNO, it is included in the loss function, whereas in the PeFNO, it is "encoded" in the operator architecture. In the current work, this encoding is based on a stress potential and Fourier transforms. As a result, only the training of the PiFNO is constrained by mechanical equilibrium; in contrast, mechanical equilibrium constrains both the training and output of the PeFNO. Due in particular to this, stress fields calculated by the trained PeFNO are significantly more accurate than those calculated by the trained PiFNO in the example cases considered., Comment: 17 pages, 11 figures

Transient gas network simulations can significantly assist in design and operational aspects of gas networks. Models used in these simulations require a detailed framework integrating various models of the network constituents - pipes and compressor stations among others. In this context, the port-Hamiltonian modelling framework provides an energy-based modelling approach with a port-based coupling mechanism. This study investigates developing compressor models in an integrated isothermal port-Hamiltonian model for gas networks. Four different models of compressors are considered and their inclusion in a larger network model is detailed. A numerical implementation for a simple testcase is provided to confirm the validity of the proposed model and to highlight their differences., Comment: 9 pages, 3 figures. Submitted to Proceedings of the 94 Annual Meeting of GAMM

The sparse identification of nonlinear dynamical systems (SINDy) is a data-driven technique employed for uncovering and representing the fundamental dynamics of intricate systems based on observational data. However, a primary obstacle in the discovery of models for nonlinear partial differential equations (PDEs) lies in addressing the challenges posed by the curse of dimensionality and large datasets. Consequently, the strategic selection of the most informative samples within a given dataset plays a crucial role in reducing computational costs and enhancing the effectiveness of SINDy-based algorithms. To this aim, we employ a greedy sampling approach to the snapshot matrix of a PDE to obtain its valuable samples, which are suitable to train a deep neural network (DNN) in a SINDy framework. SINDy based algorithms often consist of a data collection unit, constructing a dictionary of basis functions, computing the time derivative, and solving a sparse identification problem which ends to regularised least squares minimization. In this paper, we extend the results of a SINDy based deep learning model discovery (DeePyMoD) approach by integrating greedy sampling technique in its data collection unit and new sparsity promoting algorithms in the least squares minimization unit. In this regard we introduce the greedy sampling neural network in sparse identification of nonlinear partial differential equations (GN-SINDy) which blends a greedy sampling method, the DNN, and the SINDy algorithm. In the implementation phase, to show the effectiveness of GN-SINDy, we compare its results with DeePyMoD by using a Python package that is prepared for this purpose on numerous PDE discovery

Partial differential equation parameter estimation is a mathematical and computational process used to estimate the unknown parameters in a partial differential equation model from observational data. This paper employs a greedy sampling approach based on the Discrete Empirical Interpolation Method to identify the most informative samples in a dataset associated with a partial differential equation to estimate its parameters. Greedy samples are used to train a physics-informed neural network architecture which maps the nonlinear relation between spatio-temporal data and the measured values. To prove the impact of greedy samples on the training of the physics-informed neural network for parameter estimation of a partial differential equation, their performance is compared with random samples taken from the given dataset. Our simulation results show that for all considered partial differential equations, greedy samples outperform random samples, i.e., we can estimate parameters with a significantly lower number of samples while simultaneously reducing the relative estimation error. A Python package is also prepared to support different phases of the proposed algorithm, including data prepossessing, greedy sampling, neural network training, and comparison.

This paper aims at characterizing the approximability of bounded sets in the range of nonlinear operators in Banach spaces by finite-dimensional linear varieties. In particular, the class of operators we consider includes the endpoint maps of nonlinear distributed-parameter control systems. We describe the relationship between the Kolmogorov n-width of a bounded subset and the width of its image under an essentially nonlinear transformation. We propose explicit estimates of the n-width in the space of images in terms of the affine part of the corresponding operator and the width of its nonlinear perturbation. These $n$-width estimates enable us to describe the reachable sets for infinite-dimensional bilinear control systems, with applications to controlling the Euler-Bernoulli beam using a contraction force and to a single-input Schr\"odinger equation., Comment: This is a preprint version of the paper submitted to the IEEE L-CSS and CDC 2024

This work primarily focuses on an operator inference methodology aimed at constructing low-dimensional dynamical models based on a priori hypotheses about their structure, often informed by established physics or expert insights. Stability is a fundamental attribute of dynamical systems, yet it is not always assured in models derived through inference. Our main objective is to develop a method that facilitates the inference of quadratic control dynamical systems with inherent stability guarantees. To this aim, we investigate the stability characteristics of control systems with energy-preserving nonlinearities, thereby identifying conditions under which such systems are bounded-input bounded-state stable. These insights are subsequently applied to the learning process, yielding inferred models that are inherently stable by design. The efficacy of our proposed framework is demonstrated through a couple of numerical examples., Comment: 12 pages, 4 figures

Numerical algorithms and computational tools are instrumental in navigating and addressing complex simulation and data processing tasks. The exponential growth of metadata and parameter-driven simulations has led to an increasing demand for automated workflows that can replicate computational experiments across platforms. In general, a computational workflow is defined as a sequential description for accomplishing a scientific objective, often described by tasks and their associated data dependencies. If characterized through input-output relation, workflow components can be structured to allow interchangeable utilization of individual tasks and their accompanying metadata. In the present work, we develop a novel computational framework, namely, MaRDIFlow, that focuses on the automation of abstracting meta-data embedded in an ontology of mathematical objects. This framework also effectively addresses the inherent execution and environmental dependencies by incorporating them into multi-layered descriptions. Additionally, we demonstrate a working prototype with example use cases and methodically integrate them into our workflow tool and data provenance framework. Furthermore, we show how to best apply the FAIR principles to computational workflows, such that abstracted components are Findable, Accessible, Interoperable, and Reusable in nature., Comment: 13 pages, 7 figures

In this work, we address the challenge of efficiently modeling dynamical systems in process engineering. We use reduced-order model learning, specifically operator inference. This is a non-intrusive, data-driven method for learning dynamical systems from time-domain data. The application in our study is carbon dioxide methanation, an important reaction within the Power-to-X framework, to demonstrate its potential. The numerical results show the ability of the reduced-order models constructed with operator inference to provide a reduced yet accurate surrogate solution. This represents an important milestone towards the implementation of fast and reliable digital twin architectures., Comment: 10 pages, 3 figures

This work discusses model reduction for differential-algebraic systems with quadratic output equations. Under mild conditions, these systems can be transformed into a Weierstra{\ss} canonical form and, thus, be decoupled into differential equations and algebraic equations. The corresponding decoupled states are referred to as proper and improper states. Due to the quadratic function of the state as an output, the proper and improper states are coupled in the output equation, which imposes a challenge from a model reduction viewpoint. Keeping the coupling in mind, our goal in this work is to find important subspaces of the proper and improper states and to reduce the system accordingly. To that end, we first propose the system's matrices, the so-called Gramians, to characterize the system's dominant subspaces. We pay particular attention to the computation of the observability Gramians that take into account the nonlinear coupling between the proper and the improper states. We furthermore show that the proposed Gramians are related to certain kernel functions, which are used to identify important subspaces. This allows us to propose a reduction algorithm to obtain reduced-order systems by removing the subspaces that are difficult to reach, as well as, difficult to observe. Moreover, we quantify the error between the full-order and reduced-order models and demonstrate the proposed methodology using three numerical experiments.

Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of Artificial Intelligence (AI) and its subset Machine Learning (ML), has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research., Comment: Review, outlook, roadmap, perspective

Interpolatory necessary optimality conditions for $\mathcal{H}_2$-optimal reduced-order modeling of non-parametric linear time-invariant (LTI) systems are known and well-investigated. In this work, using the general framework of $\mathcal{L}_2$-optimal reduced-order modeling of parametric stationary problems, we derive interpolatory $\mathcal{H}_2 \otimes \mathcal{L}_2$-optimality conditions for parametric LTI systems with a general pole-residue form. We then specialize this result to recover known conditions for systems with parameter-independent poles and develop new conditions for a certain class of systems with parameter-dependent poles., Comment: 9 pages

Nonlinear control-affine systems described by ordinary differential equations with bounded measurable input functions are considered. The problem of the existence of periodic trajectories to these systems is formulated in the sense of Carath\'eodory solutions. It is shown that, under the dominant linearization assumption, the periodic boundary value problem admits a unique solution for any admissible control. This solution can be obtained as the limit of the proposed simple iterative scheme and Newton-type method. Under additional technical assumptions, sufficient contraction conditions of the corresponding generating operators are derived analytically. The proposed iterative approach is applied for the computation of periodic solutions of a realistic chemical reaction model with discontinuous control inputs., Comment: This is a preprint version of the paper that has been submitted to the journal "Applied Mathematics and Computation"

Mathematical models of the human heart are increasingly playing a vital role in understanding the working mechanisms of the heart, both under healthy functioning and during disease. The aim is to aid medical practitioners diagnose and treat the many ailments affecting the heart. Towards this, modelling cardiac electrophysiology is crucial as the heart's electrical activity underlies the contraction mechanism and the resulting pumping action. The governing equations and the constitutive laws describing the electrical activity in the heart are coupled, nonlinear, and involve a fast moving wave front, which is generally solved by the finite element method. The simulation of this complex system as part of a virtual heart model is challenging due to the necessity of fine spatial and temporal resolution of the domain. Therefore, efficient surrogate models are needed to predict the dynamics under varying parameters and inputs. In this work, we develop an adaptive, projection-based surrogate model for cardiac electrophysiology. We introduce an a posteriori error estimator that can accurately and efficiently quantify the accuracy of the surrogate model. Using the error estimator, we systematically update our surrogate model through a greedy search of the parameter space. Furthermore, using the error estimator, the parameter search space is dynamically updated such that the most relevant samples get chosen at every iteration. The proposed adaptive surrogate modelling technique is tested on three benchmark models to illustrate its efficiency, accuracy, and ability of generalization., Comment: 28 pages, 17 figures, 1 table

Interpolatory necessary optimality conditions for $\mathcal{H}_2$-optimal reduced-order modeling of unstructured linear time-invariant (LTI) systems are well-known. Based on previous work on $\mathcal{L}_2$-optimal reduced-order modeling of stationary parametric problems, in this paper we develop and investigate optimality conditions for $\mathcal{H}_2$-optimal reduced-order modeling of structured LTI systems, in particular, for second-order, port-Hamiltonian, and time-delay systems. Under certain diagonalizability assumptions, we show that across all these different structured settings, bitangential Hermite interpolation is the common form for optimality, thus proving a unifying optimality framework for structured reduced-order modeling., Comment: 23 pages

The discovery of governing equations from data has been an active field of research for decades. One widely used methodology for this purpose is sparse regression for nonlinear dynamics, known as SINDy. Despite several attempts, noisy and scarce data still pose a severe challenge to the success of the SINDy approach. In this work, we discuss a robust method to discover nonlinear governing equations from noisy and scarce data. To do this, we make use of neural networks to learn an implicit representation based on measurement data so that not only it produces the output in the vicinity of the measurements but also the time-evolution of output can be described by a dynamical system. Additionally, we learn such a dynamic system in the spirit of the SINDy framework. Leveraging the implicit representation using neural networks, we obtain the derivative information -- required for SINDy -- using an automatic differentiation tool. To enhance the robustness of our methodology, we further incorporate an integral condition on the output of the implicit networks. Furthermore, we extend our methodology to handle data collected from multiple initial conditions. We demonstrate the efficiency of the proposed methodology to discover governing equations under noisy and scarce data regimes by means of several examples and compare its performance with existing methods.

Discovering a suitable coordinate transformation for nonlinear systems enables the construction of simpler models, facilitating prediction, control, and optimization for complex nonlinear systems. To that end, Koopman operator theory offers a framework for global linearization for nonlinear systems, thereby allowing the usage of linear tools for design studies. In this work, we focus on the identification of global linearized embeddings for canonical nonlinear Hamiltonian systems through a symplectic transformation. While this task is often challenging, we leverage the power of deep learning to discover the desired embeddings. Furthermore, to overcome the shortcomings of Koopman operators for systems with continuous spectra, we apply the lifting principle and learn global cubicized embeddings. Additionally, a key emphasis is paid to enforce the bounded stability for the dynamics of the discovered embeddings. We demonstrate the capabilities of deep learning in acquiring compact symplectic coordinate transformation and the corresponding simple dynamical models, fostering data-driven learning of nonlinear canonical Hamiltonian systems, even those with continuous spectra.

Scientific machine learning for inferring dynamical systems combines data-driven modeling, physics-based modeling, and empirical knowledge. It plays an essential role in engineering design and digital twinning. In this work, we primarily focus on an operator inference methodology that builds dynamical models, preferably in low-dimension, with a prior hypothesis on the model structure, often determined by known physics or given by experts. Then, for inference, we aim to learn the operators of a model by setting up an appropriate optimization problem. One of the critical properties of dynamical systems is stability. However, this property is not guaranteed by the inferred models. In this work, we propose inference formulations to learn quadratic models, which are stable by design. Precisely, we discuss the parameterization of quadratic systems that are locally and globally stable. Moreover, for quadratic systems with no stable point yet bounded (e.g., chaotic Lorenz model), we discuss how to parameterize such bounded behaviors in the learning process. Using those parameterizations, we set up inference problems, which are then solved using a gradient-based optimization method. Furthermore, to avoid numerical derivatives and still learn continuous systems, we make use of an integral form of differential equations. We present several numerical examples, illustrating the preservation of stability and discussing its comparison with the existing state-of-the-art approach to infer operators. By means of numerical examples, we also demonstrate how the proposed methods are employed to discover governing equations and energy-preserving models.

We study a class of nonlinear hyperbolic partial differential equations with boundary control. This class describes chemical reactions of the type ``$A \to$ product'' carried out in a plug flow reactor (PFR) in the presence of an inert component. An isoperimetric optimal control problem with periodic boundary conditions and input constraints is formulated for the considered mathematical model in order to maximize the mean amount of product over the period. For the single-input system, the optimality of a bang-bang control strategy is proved in the class of bounded measurable inputs. The case of controlled flow rate input is also analyzed by exploiting the method of characteristics. A case study is performed to illustrate the performance of the reaction model under different control strategies.

We study the tangential interpolation problem for a passive transfer function in standard state-space form. We derive new interpolation conditions based on the computation of a deflating subspace associated with a selection of spectral zeros of a parameterized para-Hermitian transfer function. We show that this technique improves the robustness of the low order model and that it can also be applied to non-passive systems, provided they have sufficiently many spectral zeros in the open right half plane. We analyze the accuracy needed for the computation of the deflating subspace, in order to still have a passive lower order model and we derive a novel selection procedure of spectral zeros in order to obtain low order models with a small approximation error.

This work discusses the model reduction problem for large-scale multi-symplectic PDEs with cubic invariants. For this, we present a linearly implicit global energy-preserving method to construct reduced-order models. This allows to construct reduced-order models in the form of Hamiltonian systems suitable for long-time integration. Furthermore, We prove that the constructed reduced-order models preserve global energy, and the spatially discrete equations also preserve the spatially-discrete local energy conversation law. We illustrate the efficiency of the proposed method using three numerical examples, namely a linear wave equation, the Korteweg-de Vries equation, and the Camassa-Holm equation, and present a comparison with the classical POD-Galerkin method.

We present a framework for learning Hamiltonian systems using data. This work is based on a lifting hypothesis, which posits that nonlinear Hamiltonian systems can be written as nonlinear systems with cubic Hamiltonians. By leveraging this, we obtain quadratic dynamics that are Hamiltonian in a transformed coordinate system. To that end, for given generalized position and momentum data, we propose a methodology to learn quadratic dynamical systems, enforcing the Hamiltonian structure in combination with a weakly-enforced symplectic auto-encoder. The obtained Hamiltonian structure exhibits long-term stability of the system, while the cubic Hamiltonian function provides relatively low model complexity. For low-dimensional data, we determine a higher-dimensional transformed coordinate system, whereas for high-dimensional data, we find a lower-dimensional coordinate system with the desired properties. We demonstrate the proposed methodology by means of both low-dimensional and high-dimensional nonlinear Hamiltonian systems.

Accurate error estimation is crucial in model order reduction, both to obtain small reduced-order models and to certify their accuracy when deployed in downstream applications such as digital twins. In existing a posteriori error estimation approaches, knowledge about the time integration scheme is mandatory, e.g., the residual-based error estimators proposed for the reduced basis method. This poses a challenge when automatic ordinary differential equation solver libraries are used to perform the time integration. To address this, we present a data-enhanced approach for a posteriori error estimation. Our new formulation enables residual-based error estimators to be independent of any time integration method. To achieve this, we introduce a corrected reduced-order model which takes into account a data-driven closure term for improved accuracy. The closure term, subject to mild assumptions, is related to the local truncation error of the corresponding time integration scheme. We propose efficient computational schemes for approximating the closure term, at the cost of a modest amount of training data. Furthermore, the new error estimator is incorporated within a greedy process to obtain parametric reduced-order models. Numerical results on three different systems show the accuracy of the proposed error estimation approach and its ability to produce ROMs that generalize well., Comment: 37 pages, 25 figures

The race for the most efficient, accurate, and universal algorithm in scientific computing drives innovation. At the same time, this healthy competition is only beneficial if the research output is actually comparable to prior results. Fairly comparing algorithms can be a complex endeavor, as the implementation, configuration, compute environment, and test problems need to be well-defined. Due to the increase in computer-based experiments, new infrastructure for facilitating the exchange and comparison of new algorithms is also needed. To this end, we propose a benchmark framework, as a set of generic specifications for comparing implementations of algorithms using test cases native to a community. Its value lies in its ability to fairly compare and validate existing methods for new applications, as well as compare newly developed methods with existing ones. As a prototype for a more general framework, we have begun building a benchmark tool for the model order reduction (MOR) community. The data basis of the tool is the collection of the Model Order Reduction Wiki (MORWiki). The wiki features three main categories: benchmarks, methods, and software. An editorial board curates submissions and patrols edited entries. Data sets for linear and parametric-linear models are already well represented in the existing collection. Data sets for non-linear or procedural models, for which only evaluation data, or codes / algorithmic descriptions, rather than equations, are available, are being added and extended. Properties and interesting characteristics used for benchmark selection and later assessments are recorded in the model metadata. Our tool, the Model Order Reduction Benchmarker (MORB) is under active development for linear time-invariant systems and solvers., Comment: 8 pages, 2 figures

Non-intrusive model reduction is a promising solution to system dynamics prediction, especially in cases where data are collected from experimental campaigns or proprietary software simulations. In this work, we present a method for non-intrusive model reduction applied to Fluid-Structure Interaction (FSI) problems. The approach is based on the a priori known sparsity of the full-order system operators, which is dictated by grid adjacency information. In order to enforce this type of sparsity, we solve a local, regularized least-squares problem for each degree of freedom on a grid, considering only the training data from adjacent degrees of freedom, thus making computation and storage of the inferred full-order operators feasible. After constructing the non-intrusive, sparse full-order model, Proper Orthogonal Decomposition (POD) is used for its projection to a reduced dimension subspace and thus the construction of a reduced-order model (ROM). The methodology is applied to the challenging Hron-Turek benchmark FSI3, for Re = 200. A physics-informed, non-intrusive ROM is constructed to predict the two-way coupled dynamics of a solid with a deformable, slender tail, subject to an incompressible, laminar flow. Results considering the accuracy and predictive capabilities of the inferred reduced models are discussed.

When repeated evaluations for varying parameter configurations of a high-fidelity physical model are required, surrogate modeling techniques based on model order reduction are desired. In absence of the governing equations describing the dynamics, we need to construct the parametric reduced-order surrogate model in a non-intrusive fashion. In this setting, the usual residual-based error estimate for optimal parameter sampling associated with the reduced basis method is not directly available. Our work provides a non-intrusive optimality criterion to efficiently populate the parameter snapshots, thereby, enabling us to effectively construct a parametric surrogate model. We consider separate parameter-specific proper orthogonal decomposition (POD) subspaces and propose an active-learning-driven surrogate model using kernel-based shallow neural networks, abbreviated as ActLearn-POD-KSNN surrogate model. To demonstrate the validity of our proposed ideas, we present numerical experiments using two physical models, namely Burgers' equation and shallow water equations. Both the models have mixed -- convective and diffusive -- effects within their respective parameter domains, with each of them dominating in certain regions. The proposed ActLearn-POD-KSNN surrogate model efficiently predicts the solution at new parameter locations, even for a setting with multiple interacting shock profiles., Comment: 31 pages, 24 figures, 1 table; Under review

The generalized Kalman-Yakubovich-Popov lemma as established by Iwasaki and Hara in 2005 marks a milestone in the analysis and synthesis of linear systems from a finite-frequency perspective. Given a pre-specified frequency band, it allows us to produce passive controllers with excellent in-band disturbance attenuation performance at the expense of some of the out-of-band performance. This paper focuses on control design of linear systems in the presence of disturbances with non-strictly or non-stationary limited frequency spectrum. We first propose a class of frequency-dependent excited energy functions (FD-EEF) as well as frequency-dependent excited power functions (FD-EPF), which possess a desirable frequency-selectiveness property with regard to the in-band and out-of-band excited energy as well as excited power of the system. Based upon a group of frequency-selective passive controllers, we then develop a frequency-dependent switching control (FDSC) scheme that selects the most appropriate controller at runtime. We show that our FDSC scheme is capable to approximate the solid in-band performance while maintaining acceptable out-of-band performance with regard to global time horizons as well as localized time horizons. The method is illustrated by a commonly used benchmark model.

In this article, we consider vibrational systems with semi-active damping that are described by a second-order model. In order to minimize the influence of external inputs to the system response, we are optimizing some damping values. As minimization criterion, we evaluate the energy response, that is the $\cH_2$-norm of the corresponding transfer function of the system. Computing the energy response includes solving Lyapunov equations for different damping parameters. Hence, the minimization process leads to high computational costs if the system is of large dimension. We present two techniques that reduce the optimization problem by applying the reduced basis method to the corresponding parametric Lyapunov equations. In the first method, we determine a reduced solution space on which the Lyapunov equations and hence the resulting energy response values are computed approximately in a reasonable time. The second method includes the reduced basis method in the minimization process. To evaluate the quality of the approximations, we introduce error estimators that evaluate the error in the controllability Gramians and the energy response. Finally, we illustrate the advantages of our methods by applying them to two different examples.

A non-intrusive model order reduction (MOR) method that combines features of the dynamic mode decomposition (DMD) and the radial basis function (RBF) network is proposed to predict the dynamics of parametric nonlinear systems. In many applications, we have limited access to the information of the whole system, which motivates non-intrusive model reduction. One bottleneck is capturing the dynamics of the solution without knowing the physics inside the "black-box" system. DMD is a powerful tool to mimic the dynamics of the system and give a reliable approximation of the solution in the time domain using only the dominant DMD modes. However, DMD cannot reproduce the parametric behavior of the dynamics. Our contribution focuses on extending DMD to parametric DMD by RBF interpolation. Specifically, a RBF network is first trained using snapshot matrices at limited parameter samples. The snapshot matrix at any new parameter sample can be quickly learned from the RBF network. DMD will use the newly generated snapshot matrix at the online stage to predict the time patterns of the dynamics corresponding to the new parameter sample. The proposed framework and algorithm are tested and validated by numerical examples including models with parametrized and time-varying inputs.

High-dimensional/high-fidelity nonlinear dynamical systems appear naturally when the goal is to accurately model real-world phenomena. Many physical properties are thereby encoded in the internal differential structure of these resulting large-scale nonlinear systems. The high-dimensionality of the dynamics causes computational bottlenecks, especially when these large-scale systems need to be simulated for a variety of situations such as different forcing terms. This motivates model reduction where the goal is to replace the full-order dynamics with accurate reduced-order surrogates. Interpolation-based model reduction has been proven to be an effective tool for the construction of cheap-to-evaluate surrogate models that preserve the internal structure in the case of weak nonlinearities. In this paper, we consider the construction of multivariate interpolants in frequency domain for structured quadratic-bilinear systems. We propose definitions for structured variants of the symmetric subsystem and generalized transfer functions of quadratic-bilinear systems and provide conditions for structure-preserving interpolation by projection. The theoretical results are illustrated using two numerical examples including the simulation of molecular dynamics in crystal structures., Comment: 29 pages, 7 figures

Vortex-induced vibrations (VIV) pose computationally expensive problems of high practical interest to several engineering fields. In this work we develop a non-intrusive, reduced-order modelling methodology for two-dimensional (2D) VIV simulations. We consider an elliptical, non-deformable solid mounted on springs, subject to a laminar, incompressible flow. Approximating the Arbitrary Lagrangian-Eulerian (ALE) incompressible Navier-Stokes (NS) formulation, a discrete-time, quadratic-bilinear data-driven model structure is assigned for the velocity flowfield prediction. The full-order, data-driven model operators have a predefined sparsity pattern, following the adjacency-based sparsity of the discretized ALE-NS operators. Thus, the data-driven operators inference requires solving many low-dimensional least squares problems, isolating the contribution of "nearest neighbours" for each degree of freedom. Numerical aspects such as data centering and regularization are extensively discussed. With this approach, Dirichlet boundary conditions at the inlet and the fluid/solid interface can be enforced on the full-order, non-intrusive level. Consequently, a non-intrusive reduced-order model (ROM) for the velocity flowfield is obtained after linear projection. The resulting ROM is coupled with the first-principle, 2D solid oscillation equations and is simulated using an implicit time integration scheme. The coupled solution is then mapped on the deformed grid through the inverse ALE map. This methodology is showcased for two testcases, at different Reynolds numbers (Re = 90, 180). Numerical results indicate a successful coupling between the data-driven velocity flowfield and the solid oscillation, with prediction errors of less than 3% for both the flowfield and the solid oscillation. A comparative study with respect to the ROM dimension indicates the robustness and potential of the approach.

While extracting information from data with machine learning plays an increasingly important role, physical laws and other first principles continue to provide critical insights about systems and processes of interest in science and engineering. This work introduces a method that infers models from data with physical insights encoded in the form of structure and that minimizes the model order so that the training data are fitted well while redundant degrees of freedom without conditions and sufficient data to fix them are automatically eliminated. The models are formulated via solution matrices of specific instances of generalized Sylvester equations that enforce interpolation of the training data and relate the model order to the rank of the solution matrices. The proposed method numerically solves the Sylvester equations for minimal-rank solutions and so obtains models of low order. Numerical experiments demonstrate that the combination of structure preservation and rank minimization leads to accurate models with orders of magnitude fewer degrees of freedom than models of comparable prediction quality that are learned with structure preservation alone.

High-dimensional data in the form of tensors are challenging for kernel classification methods. To both reduce the computational complexity and extract informative features, kernels based on low-rank tensor decompositions have been proposed. However, what decisive features of the tensors are exploited by these kernels is often unclear. In this paper we propose a novel kernel that is based on the Tucker decomposition. For this kernel the Tucker factors are computed based on re-weighting of the Tucker matrices with tuneable powers of singular values from the HOSVD decomposition. This provides a mechanism to balance the contribution of the Tucker core and factors of the data. We benchmark support tensor machines with this new kernel on several datasets. First we generate synthetic data where two classes differ in either Tucker factors or core, and compare our novel and previously existing kernels. We show robustness of the new kernel with respect to both classification scenarios. We further test the new method on real-world datasets. The proposed kernel has demonstrated a higher test accuracy than the state-of-the-art tensor train multi-way multi-level kernel, and a significantly lower computational time.