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StOKeDMD: Streaming Occupation kernel dynamic mode decomposition

Dynamic mode decomposition (DMD) has become a common technique for constructing surrogate models for dynamical systems from observed system states. The Occupation Kernel DMD (OKDMD) method proposed in (Rosenfeld et al., 2022) and (Rosenfeld et al., 2024) is a Liouville operator based method that builds surrogate models from system state trajectories. Here, this paper proposes an extension of OKDMD to the case when the system states are observed in a streaming fashion, i.e., only a small fraction of the state trajectory is available at a given time. The developed method, Streaming Occupation Kernel DMD (StOKeDMD), accommodates the streaming data input by leveraging properties of specific choices of kernel functions and occupation kernels. We apply the StoKeDMD method as a compression method for streaming data, analyze the memory complexity, and demonstrate the performance of StoKeDMD in the compression of streaming data generated from a Lorenz system and a fluid flow simulation.

97 MATHEMATICS AND COMPUTING↗

Survey of Dynamic Mode Decomposition Methods

Dynamic mode decomposition (DMD) is a data-driven reduced order modeling (ROM) technique used for dynamic systems. The widely adopted algorithm was first introduced and demonstrated on fluid flow data by Schmid. In recent years, various other fields, such as nuclear engineering, have begun to adopt this method. For example, DMD has been used for estimating α-eigenvalues, as an ROM for pulsed neutron problems, for predicting isotopic composition in burnup calculations, as acceleration techniques for iterative methods, and in capturing dynamic behaviors in molten salt reactor transients. This report seeks to demonstrate the capabilities and limits of the standard DMD algorithm, and identify problem spaces where variants may be better suited. The primary variant this report considers is Multi-Resolution DMD (mrDMD). Because this serves as a survey, synthetically produced data is used in lieu of simulation results. The remainder of this report will go into detail on the DMD theory, outline the standard DMD and mrDMD algorithms, present test cases highlighting the applicability of each, and finally present a discussion on how to determine the best suited algorithm for a given problem. All calculations performed in this report are carried out using the open source DMD library, PyDMD.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Learning compact physics‐aware delayed photocurrent models using dynamic mode decomposition

Abstract Radiation‐induced photocurrent in semiconductor devices can be simulated using complex physics‐based models, which are accurate, but computationally expensive. This presents a challenge for implementing device characteristics in high‐level circuit simulations where it is computationally infeasible to evaluate detailed models for multiple individual circuit elements. In this work we demonstrate a procedure for learning compact delayed photocurrent models that are efficient enough to implement in large‐scale circuit simulations, but remain faithful to the underlying physics. Our approach utilizes dynamic mode decomposition (DMD), a system identification technique for learning reduced‐order discrete‐time dynamical systems from time series data based on singular value decomposition. To obtain physics‐aware device models, we simulate the excess carrier density induced by radiation pulses by solving numerically the ambipolar diffusion equation, then use the simulated internal state as training data for the DMD algorithm. Our results show that the significantly reduced‐order delayed photocurrent models obtained via this method accurately approximate the dynamics of the internal excess carrier density—which can be used to calculate the induced current at the device boundaries—while remaining compact enough to incorporate into larger circuit simulations.

Hanson, Joshua↗

Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green’s function

Computing the numerical solution of the Kadanoff–Baym equations, a set of nonlinear integral differential equations satisfied by the two-time Green's functions derived from many-body perturbation theory for a quantum many-body system away from equilibrium, is a challenging task. Recently, we have successfully applied dynamic mode decomposition (DMD) to construct a data driven reduced order model that can be used to extrapolate the time-diagonal of a two-time Green's function from numerical solutions of the KBE within a small time window. In this paper, we extend the previous work and use DMD to predict off-diagonal elements of the two-time Green's function. We partition the two-time Green's function into a number of one-time functions along the diagonal and subdiagonals of the two-time window as well as in horizontal and vertical directions. We use DMD to construct separate reduced order models to predict the dynamics of these one-time functions in a two-step procedure. We extrapolate along diagonal and several subdiagonals within a subdiagonal band of a two-time window in the first step. In the second step, we use DMD to extrapolate the Green's function outside of the sub-diagonal band. In conclusion, we demonstrate the efficiency and accuracy of this approach by applying it to a two-band Hubbard model problem.

97 MATHEMATICS AND COMPUTING↗

Parametric dynamic mode decomposition for reduced order modeling

Dynamic Mode Decomposition (DMD) is a model-order reduction approach, whereby spatial modes of fixed temporal frequencies are extracted from numerical or experimental data sets. The DMD low-rank or reduced operator is typically obtained by singular value decomposition of the temporal data sets. For parameter-dependent models, as found in many multi-query applications such as uncertainty quantification or design optimization, the only parametric DMD technique developed was a stacked approach, with data sets at multiple parameter values were aggregated together, increasing the computational work needed to devise low-rank dynamical reduced-order models. Here in this paper, we present two novel approach to carry out parametric DMD: one based on the interpolation of the reduced-order DMD eigen-pair and the other based on the interpolation of the reduced DMD (Koopman) operator. Numerical results are presented for diffusion-dominated nonlinear dynamical problems, including a multiphysics radiative transfer example. All three parametric DMD approaches are compared.

97 MATHEMATICS AND COMPUTING↗

Dynamic mode decomposition for gyrokinetic eigenmode analysis

Dynamic mode decomposition (DMD) is a post-processing approach to decompose a complex time series into a set of modes via spectral analysis. DMD provides a new and powerful method to recover gyrokinetic drift-wave eigenfrequencies and eigenfunctions based only on the solution of the gyrokinetic-Maxwell initial value problem with almost no added cost to the initial value solver. In the present paper, DMD is applied to the CGYRO gyrokinetic code using a newly-developed CGYRO-DMD post-processor. CGYRO-DMD is numerically efficient, even on a single CPU. It does not set any restrictions on the plasma shape, beta (ratio of the plasma pressure to the magnetic field pressure), collisionality or number of species, and allows one to resolve numerous eigenmodes, even of comparable growth rates. In addition, DMD is not limited to unstable modes, but rather can capture stable and unstable branches simultaneously. In this work, we illustrate the accuracy of DMD through gyrokinetic analysis of mode transition for electromagnetic drift wave instabilities.

drift-wave eigenmodes↗

Granger Causality for prediction in Dynamic Mode Decomposition: Application to power systems

Here, the dynamic mode decomposition (DMD) technique extracts the dominant modes characterizing the innate dynamical behavior of the system within the measurement data. For appropriate identification of dominant modes from the measurement data, the DMD algorithm necessitates ensuring the quality of the input measurement data sequences. On that account, for validating the usability of the dataset for the DMD algorithm, the paper proposed two conditions: Persistence of excitation (PE) and the Granger Causality Test (GCT). The virtual data sequences are designed with the hankel matrix representation such that the dimensions of the subspace spanning the essential system modes are increased with the addition of new state variables. The PE condition provides the lower bound for the trajectory length, and the GCT provides the order of the model. Satisfying the PE condition enables estimating an approximate linear model, but the predictability with the identified model is only assured with the temporal causation among data searched with GCT. The proposed methodology is validated with the application for coherency identification (CI) in a multi-machine power system (MMPS), an essential phenomenon in transient stability analysis. The significance of PE condition and GCT is demonstrated through various case studies implemented on 22 bus six generator system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Efficient Streaming Dynamic Mode Decomposition

We propose a reformulation of the streaming dynamic mode decomposition method that requires maintaining a single orthonormal basis, thereby reducing computational redundancy. The proposed efficient streaming dynamic mode decomposition method results in a constant-factor reduction in computational complexity and memory storage requirements. Numerical experiments on representative canonical dynamical systems show that the enhanced computational efficiency does not compromise the accuracy of the proposed method.

97 MATHEMATICS AND COMPUTING↗

Extended dynamic mode decomposition for model reduction in fluid dynamics simulations

High computational cost and storage/memory requirements of fluid dynamics simulations constrain their usefulness as a predictive tool. Reduced-order models (ROMs) provide a viable solution to this challenge by extracting the key underlying dynamics of a complex system directly from data. We investigate the efficacy and robustness of an extended dynamic mode decomposition (xDMD) algorithm in constructing ROMs of three-dimensional cardiovascular computations. Focusing on the ROMs' accuracy in representation and interpolation, we relate these metrics to the truncation rank of singular value decomposition, which underpins xDMD and other approaches to ROM construction. Our key innovation is to relate the truncation rank to the singular values of the original flow problem. This result establishes a priori guidelines for the xDMD deployment and its likely success as a means of data compression and reconstruction of the system's dynamics from dominant spatiotemporal structures present in the data.

Mechanics↗

Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation

Abstract Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport equation (rt-BTE) with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations (phonons). Yet, a bottleneck of these simulations is the calculation of e –ph scattering integrals on dense momentum grids at each time step. Here we show a data-driven approach based on dynamic mode decomposition (DMD) that can accelerate the time propagation of the rt-BTE and identify dominant electronic processes. We apply this approach to two case studies, high-field charge transport and ultrafast excited electron relaxation. In both cases, simulating only a short time window of ~10% of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD extrapolation. Analysis of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to a steady state or equilibrium. The combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.

36 MATERIALS SCIENCE↗

Dynamic mode decomposition for extrapolating nonequilibrium Green's-function dynamics

The Hartree-Fock generalized Kadanoff-Baym ansatz (HF-GKBA) offers an approximate numerical procedure for propagating the two-time nonequilibrium Green's function (NEGF). Here, using the GW self-energy, we compare the HF-GKBA to exact results for a variety of systems with long- and short-range interactions, different two-body interaction strengths, and various nonequilibrium preparations. We find excellent agreement between the HF-GKBA and exact time evolution in models when more realistic long-range exponentially decaying interactions are considered. Furthermore, this agreement persists for long times and for intermediate to strong interaction strengths. In large systems, HF-GKBA becomes prohibitively expensive for long-time evolutions. For this reason, we look at the use of dynamical mode decomposition (DMD) to reconstruct long-time NEGF trajectories from a sample of the initial trajectory. Using no more than 16% of the total time evolution, we reconstruct the total trajectory with high fidelity. Our results show the potential for DMD to be used in conjunction with HF-GKBA to calculate long-time trajectories in large-scale systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accelerating particle-in-cell kinetic plasma simulations via reduced-order modeling of space-charge dynamics using dynamic mode decomposition

We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma simulations such as EMPIC is manifested through the plasma current density defined along the edges of the spatial mesh. We showcase the efficacy of DMD in modeling the time evolution of current density through a low-dimensional feature space. Not only do such DMD based predictive reduced-order models help accelerate EMPIC simulations, they also have the potential to facilitate investigative analysis and control applications. Here, we demonstrate the proposed DMD-EMPIC scheme for reduced-order modeling of current density and speedup in EMPIC simulations involving electron beam under the influence of magnetic field, virtual cathode oscillations, and backward wave oscillator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bilinear dynamic mode decomposition for quantum control

Abstract Data-driven methods for establishing quantum optimal control (QOC) using time-dependent control pulses tailored to specific quantum dynamical systems and desired control objectives are critical for many emerging quantum technologies. We develop a data-driven regression procedure, bilinear dynamic mode decomposition (biDMD), that leverages time-series measurements to establish quantum system identification for QOC. The biDMD optimization framework is a physics-informed regression that makes use of the known underlying Hamiltonian structure. Further, the biDMD can be modified to model both fast and slow sampling of control signals, the latter by way of stroboscopic sampling strategies. The biDMD method provides a flexible, interpretable, and adaptive regression framework for real-time, online implementation in quantum systems. Further, the method has strong theoretical connections to Koopman theory, which approximates nonlinear dynamics with linear operators. In comparison with many machine learning paradigms minimal data is needed to construct a biDMD model, and the model is easily updated as new data is collected. We demonstrate the efficacy and performance of the approach on a number of representative quantum systems, showing that it also matches experimental results.

97 MATHEMATICS AND COMPUTING↗

Data-driven acceleration of thermal radiation transfer calculations with the dynamic mode decomposition and a sequential singular value decomposition

In this work, we present a method for accelerating discrete ordinates radiative transfer calculations for radiative transfer. Our method works with nonlinear positivity fixes, in contrast to most acceleration schemes. The method is based on the dynamic mode decomposition (DMD) and using a sequence of rank-one updates to compute the singular value decomposition needed for DMD. Using a sequential method allows us to automatically determine the number of solution vectors to include in the DMD acceleration. We present results for slab geometry discrete ordinates calculations with the standard temperature linearization. Compared with positive source iteration, our results demonstrate that our acceleration method reduces the number of transport sweeps required to solve the problem by a factor of about 3 on a standard diffusive Marshak wave problem, a factor of several thousand on a cooling problem where the effective scattering ratio approaches unity, and a factor of 20 improvement in a realistic, multimaterial radiating shock problem.

97 MATHEMATICS AND COMPUTING↗

Data-Driven Analysis of Multipactor Dynamics via Dynamic Mode Decomposition

Multipactor effect is a performance-limiting kinetic plasma effect that can occur in high-power microwave and radio frequency (RF) devices. Multipactor effect is of special concern in vacuum or near-vacuum conditions such as those in particle accelerators and spaceborne devices. In this work, we present a data-driven reduced-order model (ROM) based on dynamic mode decomposition (DMD) for modeling of multipactor effects. We study multipactor effects and the resulting nonlinear harmonic generation by processing high-fidelity data generated from electromagnetic particle-in-cell (EMPIC) simulations using the DMD algorithm. We also investigate time-delay embedding extensions of DMD with improved generalizability and accuracy for modeling the electron plasma current density behavior. Here, the results show that DMD provides valuable insights into multipactor phenomena by extracting relevant modal spatiotemporal patterns and frequencies. In addition, DMD offers the potential to time extrapolate EMPIC simulations at a minimal cost, thereby reducing overall simulation time.

43 PARTICLE ACCELERATORS↗