SearcharxivSearch

arXiv subjects

Ionut-Gabriel Farcas

Publications and source records attributed to Ionut-Gabriel Farcas.

15 recordsLinked to original sources

Convolution Operator Network for Forward and Inverse Problems (FI-Conv): Application to Plasma Turbulence Simulations

We propose the Convolutional Operator Network for Forward and Inverse Problems (FI-Conv), a framework capable of predicting system evolution and estimating parameters in complex spatio-temporal dynamics, such as turbulence. FI-Conv is built on a U-Net architecture, in which most convolutional layers are replaced by ConvNeXt V2 blocks. This design preserves U-Net performance on inputs with high-frequency variations while maintaining low computational complexity. FI-Conv uses an initial state, PDE parameters, and evolution time as input to predict the system future state. As a representative example of a system exhibiting complex dynamics, we evaluate the performance of FI-Conv on the task of predicting turbulent plasma fields governed by the Hasegawa-Wakatani (HW) equations. The HW system models two-dimensional electrostatic drift-wave turbulence and exhibits strongly nonlinear behavior, making accurate approximation and long-term prediction particularly challenging. Using an autoregressive forecasting procedure, FI-Conv achieves accurate forward prediction of the plasma state evolution over short times (t ~ 3) and captures the statistic properties of derived physical quantities of interest over longer times (t ~ 100). Moreover, we develop a gradient-descent-based inverse estimation method that accurately infers PDE parameters from plasma state evolution data, without modifying the trained model weights. Collectively, our results demonstrate that FI-Conv can be an effective alternative to existing physics-informed machine learning methods for systems with complex spatio-temporal dynamics.

cs.LG

Fast prediction of plasma instabilities with sparse-grid-accelerated optimized dynamic mode decomposition

Parametric data-driven reduced-order models (ROMs) that embed dependencies in a large number of input parameters are crucial for enabling many-query tasks in large-scale problems. These tasks, including design optimization, control, and uncertainty quantification, are essential for developing digital twins in real-world applications. However, standard grid-based data generation methods are computationally prohibitive due to the curse of dimensionality. This paper investigates efficient training of parametric data-driven ROMs using sparse grid interpolation with (L)-Leja points, specifically targeting scenarios with higher-dimensional input parameter spaces. (L)-Leja points are nested and exhibit slow growth, resulting in sparse grids with low cardinality in low-to-medium dimensional settings, making them ideal for large-scale, computationally expensive problems. Focusing on gyrokinetic simulations of plasma micro-instabilities in fusion experiments as a representative real-world application, we construct parametric ROMs for the full 5D gyrokinetic distribution function via optimized dynamic mode decomposition (optDMD) and sparse grids based on (L)-Leja points. We perform detailed experiments in two scenarios: First, the Cyclone Base Case benchmark assesses optDMD ROM prediction capabilities beyond training time horizons and across variations in the binormal wave number. Second, for a real-world electron-temperature-gradient-driven micro-instability simulation with six input parameters, we demonstrate that a predictive parametric optDMD ROM that is up to three orders of magnitude cheaper to evaluate can be constructed using only 28 high-fidelity gyrokinetic simulations, enabled by the use of sparse grids. In the broader context of fusion research, these results demonstrate the potential of sparse grid-based parametric ROMs to enable otherwise intractable many-query tasks.

physics.comp-ph

Machine Learning for Electron-Scale Turbulence Modeling in W7-X

Constructing reduced models for turbulent transport is essential for accelerating profile predictions and enabling many-query tasks such as parameter exploration and design optimization. This work investigates machine-learning-driven reduced models for Electron Temperature Gradient (ETG) turbulence in the Wendelstein 7-X (W7-X) stellarator. We develop physics-guided scaling laws to predict the ETG heat flux at seven radial locations as functions of three key plasma parameters: the normalized electron temperature gradient ($\omega_{T_e}$), the ratio of normalized electron temperature and density gradients ($\eta_e$), and the electron-to-ion temperature ratio ($\tau$). The model coefficients are determined through regression combined with an active learning strategy. The procedure initializes the scaling laws using low-cardinality sparse-grid training data and iteratively enriches the training set by selecting maximally informative samples from an existing simulation database. The predictive performance of the models is assessed using out-of-sample datasets comprising more than $393$ points per radial location. Using the coefficients identified at the seven training radial locations, we further derive regression-based parameterizations for the scaling-law coefficients as functions of radial position. The resulting models are then evaluated at three additional radial locations not used during training, including both interpolation and moderate extrapolation cases. Overall, our reduced models demonstrate good predictive performance and achieve accuracy comparable to the original reference simulations, including in interpolation and moderate extrapolation regimes. An important finding is that a single radius-independent model cannot adequately describe ETG transport across the W7-X core, suggesting the presence of geometry-dependent physics not captured by the present formulation.

physics.plasm-ph

Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine

High-performance computing (HPC) has revolutionized our ability to perform detailed simulations of complex real-world processes. A prominent contemporary example is from aerospace propulsion, where HPC is used for rotating detonation rocket engine (RDRE) simulations in support of the design of next-generation rocket engines; however, these simulations take millions of core hours even on powerful supercomputers, which makes them impractical for engineering tasks like design exploration and risk assessment. Data-driven reduced-order models (ROMs) aim to address this limitation by constructing computationally cheap yet sufficiently accurate approximations that serve as surrogates for the high-fidelity model. This paper contributes a distributed memory algorithm that achieves fast and scalable construction of predictive physics-based ROMs trained from sparse datasets of extremely large state dimension. The algorithm learns structured physics-based ROMs that approximate the dynamical systems underlying those datasets.This enables model reduction for problems at a scale and complexity that exceeds the capabilities of standard, serial approaches. We demonstrate our algorithm's scalability using up to $2,048$ cores on the Frontera supercomputer at the Texas Advanced Computing Center. We focus on a real-world three-dimensional RDRE for which one millisecond of simulated physical time requires one million core hours on a supercomputer. Using a training dataset of $2,536$ snapshots each of state dimension $76$ million, our distributed algorithm enables the construction of a predictive data-driven reduced model in just $13$ seconds on $2,048$ cores on Frontera.

math.NA

A parallel implementation of reduced-order modeling of large-scale systems

Motivated by the large-scale nature of modern aerospace engineering simulations, this paper presents a detailed description of distributed Operator Inference (dOpInf), a recently developed parallel algorithm designed to efficiently construct physics-based reduced-order models (ROMs) for problems with large state dimensions. One such example is the simulation of rotating detonation rocket engines, where snapshot data generated by high-fidelity large-eddy simulations have many millions of degrees of freedom. dOpInf enables, via distributed computing, the efficient processing of datasets with state dimensions that are too large to process on a single computer, and the learning of structured physics-based ROMs that approximate the dynamical systems underlying those datasets. All elements of dOpInf are scalable, leading to a fully parallelized reduced modeling approach that can scale to the thousands of processors available on leadership high-performance computing platforms. The resulting ROMs are computationally cheap, making them ideal for key engineering tasks such as design space exploration, risk assessment, and uncertainty quantification. To illustrate the practical application of dOpInf, we provide a step-by-step tutorial using a 2D Navier-Stokes flow over a step scenario as a case study. This tutorial guides users through the implementation process, making dOpInf accessible for integration into complex aerospace engineering simulations.

cs.DC

Scientific Machine Learning Based Reduced-Order Models for Plasma Turbulence Simulations

This paper investigates non-intrusive Scientific Machine Learning (SciML) Reduced-Order Models (ROMs) for plasma turbulence simulations. In particular, we focus on Operator Inference (OpInf) to build low-cost physics-based ROMs from data for such simulations. As a representative example, we consider the (classical) Hasegawa-Wakatani (HW) equations used for modeling two-dimensional electrostatic drift-wave turbulence. For a comprehensive perspective of the potential of OpInf to construct predictive ROMs, we consider three setups for the HW equations by varying a key parameter, namely the adiabaticity coefficient. These setups lead to the formation of complex and nonlinear dynamics, which makes the construction of predictive ROMs of any kind challenging. We generate the training datasets by performing direct numerical simulations of the HW equations and recording the computed state data and outputs the over a time horizon of $100$ time units in the turbulent phase. We then use these datasets to construct OpInf ROMs for predictions over $400$ additional time units, that is, $400\%$ more than the training horizon. Our results show that the OpInf ROMs capture important statistical features of the turbulent dynamics and generalize beyond the training time horizon while reducing the computational effort of the high-fidelity simulation by up to five orders of magnitude. In the broader context of fusion research, this shows that non-intrusive SciML ROMs have the potential to drastically accelerate numerical studies, which can ultimately enable tasks such as the design of optimized fusion devices.

physics.comp-ph

Advanced surrogate model for electron-scale turbulence in tokamak pedestals

We derive an advanced surrogate model for predicting turbulent transport at the edge of tokamaks driven by electron temperature gradient (ETG) modes.Our derivation is based on a recently developed sensitivity-driven sparse grid interpolation approach for uncertainty quantification and sensitivity analysis at scale, which informs the set of parameters that define the surrogate model as a scaling law.Our model reveals that ETG-driven electron heat flux is influenced by the safety factor $q$, electron beta $β_e$, and normalized electron Debye length $λ_D$, in addition to well-established parameters such as the electron temperature and density gradients. To assess the trustworthiness of our model's predictions beyond training, we compute prediction intervals using bootstrapping. The surrogate model's predictive power is tested across a wide range of parameter values, including within-distribution testing parameters (to verify our model) as well as out-of-bounds and out-of-distribution testing (to validate the proposed model). Overall, validation efforts show that our model competes well with, or can even outperform, existing scaling laws in predicting ETG-driven transport.

physics.plasm-ph

Domain decomposition for data-driven reduced modeling of large-scale systems

This paper focuses on the construction of accurate and predictive data-driven reduced models of large-scale numerical simulations with complex dynamics and sparse training datasets. In these settings, standard, single-domain approaches may be too inaccurate or may overfit and hence generalize poorly. Moreover, processing large-scale datasets typically requires significant memory and computing resources which can render single-domain approaches computationally prohibitive. To address these challenges, we introduce a domain decomposition formulation into the construction of a data-driven reduced model. In doing so, the basis functions used in the reduced model approximation become localized in space, which can increase the accuracy of the domain-decomposed approximation of the complex dynamics. The decomposition furthermore reduces the memory and computing requirements to process the underlying large-scale training dataset. We demonstrate the effectiveness and scalability of our approach in a large-scale three-dimensional unsteady rotating detonation rocket engine simulation scenario with over $75$ million degrees of freedom and a sparse training dataset. Our results show that compared to the single-domain approach, the domain-decomposed version reduces both the training and prediction errors for pressure by up to $13 \%$ and up to $5\%$ for other key quantities, such as temperature, and fuel and oxidizer mass fractions. Lastly, our approach decreases the memory requirements for processing by almost a factor of four, which in turn reduces the computing requirements as well.

math.NA

Context-aware learning of hierarchies of low-fidelity models for multi-fidelity uncertainty quantification

Multi-fidelity Monte Carlo methods leverage low-fidelity and surrogate models for variance reduction to make tractable uncertainty quantification even when numerically simulating the physical systems of interest with high-fidelity models is computationally expensive. This work proposes a context-aware multi-fidelity Monte Carlo method that optimally balances the costs of training low-fidelity models with the costs of Monte Carlo sampling. It generalizes the previously developed context-aware bi-fidelity Monte Carlo method to hierarchies of multiple models and to more general types of low-fidelity models. When training low-fidelity models, the proposed approach takes into account the context in which the learned low-fidelity models will be used, namely for variance reduction in Monte Carlo estimation, which allows it to find optimal trade-offs between training and sampling to minimize upper bounds of the mean-squared errors of the estimators for given computational budgets. This is in stark contrast to traditional surrogate modeling and model reduction techniques that construct low-fidelity models with the primary goal of approximating well the high-fidelity model outputs and typically ignore the context in which the learned models will be used in upstream tasks. The proposed context-aware multi-fidelity Monte Carlo method applies to hierarchies of a wide range of types of low-fidelity models such as sparse-grid and deep-network models. Numerical experiments with the gyrokinetic simulation code \textsc{Gene} show speedups of up to two orders of magnitude compared to standard estimators when quantifying uncertainties in small-scale fluctuations in confined plasma in fusion reactors. This corresponds to a runtime reduction from 72 days to about four hours on one node of the Lonestar6 supercomputer at the Texas Advanced Computing Center.

math.NA

A general framework for quantifying uncertainty at scale

In many fields of science, comprehensive and realistic computational models are available nowadays. Often, the respective numerical calculations call for the use of powerful supercomputers, and therefore only a limited number of cases can be investigated explicitly. This prevents straightforward approaches to important tasks like uncertainty quantification and sensitivity analysis. This challenge can be overcome via our recently developed sensitivity-driven dimension adaptive sparse grid interpolation strategy. The method exploits, via adaptivity, the structure of the underlying model (such as lower intrinsic dimensionality and anisotropic coupling of the uncertain inputs) to enable efficient and accurate uncertainty quantification and sensitivity analysis at scale. We demonstrate the efficiency of our approach in the context of fusion research, in a realistic, computationally expensive scenario of turbulent transport in a magnetic confinement tokamak device with eight uncertain parameters, reducing the effort by at least two orders of magnitude. In addition, we show that our method intrinsically provides an accurate surrogate model that is nine orders of magnitude cheaper than the high-fidelity model.

physics.comp-ph

Reduced operator inference for nonlinear partial differential equations

We present a new scientific machine learning method that learns from data a computationally inexpensive surrogate model for predicting the evolution of a system governed by a time-dependent nonlinear partial differential equation (PDE), an enabling technology for many computational algorithms used in engineering settings. Our formulation generalizes to the function space PDE setting the Operator Inference method previously developed in [B. Peherstorfer and K. Willcox, Data-driven operator inference for non-intrusive projection-based model reduction, Computer Methods in Applied Mechanics and Engineering, 306 (2016)] for systems governed by ordinary differential equations. The method brings together two main elements. First, ideas from projection-based model reduction are used to explicitly parametrize the learned model by low-dimensional polynomial operators which reflect the known form of the governing PDE. Second, supervised machine learning tools are used to infer from data the reduced operators of this physics-informed parametrization. For systems whose governing PDEs contain more general (non-polynomial) nonlinearities, the learned model performance can be improved through the use of lifting variable transformations, which expose polynomial structure in the PDE. The proposed method is demonstrated on two examples: a heat equation model problem that demonstrates the benefits of the function space formulation in terms of consistency with the underlying continuous truth, and a three-dimensional combustion simulation with over 18 million degrees of freedom, for which the learned reduced models achieve accurate predictions with a dimension reduction of five orders of magnitude and model runtime reduction of up to nine orders of magnitude.

math.NA

Data-driven low-fidelity models for multi-fidelity Monte Carlo sampling in plasma micro-turbulence analysis

The linear micro-instabilities driving turbulent transport in magnetized fusion plasmas (as well as the respective nonlinear saturation mechanisms) are known to be sensitive with respect to various physical parameters characterizing the background plasma and the magnetic equilibrium. Therefore, uncertainty quantification is essential for achieving predictive numerical simulations of plasma turbulence. However, the high computational costs of the required gyrokinetic simulations and the large number of parameters render standard Monte Carlo techniques intractable. To address this problem, we propose a multi-fidelity Monte Carlo approach in which we employ data-driven low-fidelity models that exploit the structure of the underlying problem such as low intrinsic dimension and anisotropic coupling of the stochastic inputs. The low-fidelity models are efficiently constructed via sensitivity-driven dimension-adaptive sparse grid interpolation using both the full set of uncertain inputs and subsets comprising only selected, important parameters. We illustrate the power of this method by applying it to two plasma turbulence problems with up to $14$ stochastic parameters, demonstrating that it is up to four orders of magnitude more efficient than standard Monte Carlo methods measured in single-core performance, which translates into a runtime reduction from around eight days to one hour on 240 cores on parallel machines.

physics.comp-ph

Turbulence suppression by energetic particles: A sensitivity-driven dimension-adaptive sparse grid framework for discharge optimization

A newly developed sensitivity-driven approach is employed to study the role of energetic particles in suppressing turbulence-inducing micro-instabilities for a set of realistic JET-like cases with NBI deuterium and ICRH $^3$He fast ions. First, the efficiency of the sensitivity-driven approach is showcased for scans in a $21$-dimensional parameter space, for which only $250$ simulations are necessary. The same scan performed with traditional Cartesian grids with only two points in each of the $21$ dimensions would require $2^{21} = 2,097,152$ simulations. Then, a $14$-dimensional parameter subspace is considered, using the sensitivity-driven approach to find an approximation of the parameter-to-growth rate map averaged over nine bi-normal wave-numbers, indicating pathways towards turbulence suppression. The respective turbulent fluxes, obtained via nonlinear simulations for the optimized set of parameters, are reduced by more than two order of magnitude compared to the reference results.

physics.plasm-ph

Sensitivity-driven adaptive sparse stochastic approximations in plasma microinstability analysis

Quantifying uncertainty in predictive simulations for real-world problems is of paramount importance - and far from trivial, mainly due to the large number of stochastic parameters and significant computational requirements. Adaptive sparse grid approximations are an established approach to overcome these challenges. However, standard adaptivity is based on global information, thus properties such as lower intrinsic stochastic dimensionality or anisotropic coupling of the input directions, which are common in practical applications, are not fully exploited. We propose a novel structure-exploiting dimension-adaptive sparse grid approximation methodology using Sobol' decompositions in each subspace to introduce a sensitivity scoring system to drive the adaptive process. By employing local sensitivity information, we explore and exploit the anisotropic coupling of the stochastic inputs as well as the lower intrinsic stochastic dimensionality. The proposed approach is generic, i.e., it can be formulated in terms of arbitrary approximation operators and point sets. In particular, we consider sparse grid interpolation and pseudo-spectral projection constructed on (L)-Leja sequences. The power and usefulness of the proposed method is demonstrated by applying it to the analysis of gyrokinetic microinstabilities in fusion plasmas, one of the key scientific problems in plasma physics and fusion research. In this context, it is shown that a 12D parameter space can be scanned very efficiently, gaining more than an order of magnitude in computational cost over the standard adaptive approach. Moreover, it allows for the uncertainty propagation and sensitivity analysis in higher-dimensional plasma microturbulence problems, which would be almost impossible to tackle with standard screening approaches.

physics.comp-ph

Multilevel adaptive sparse Leja approximations for Bayesian inverse problems

Deterministic interpolation and quadrature methods are often unsuitable to address Bayesian inverse problems depending on computationally expensive forward mathematical models. While interpolation may give precise posterior approximations, deterministic quadrature is usually unable to efficiently investigate an informative and thus concentrated likelihood. This leads to a large number of required expensive evaluations of the mathematical model. To overcome these challenges, we formulate and test a multilevel adaptive sparse Leja algorithm. At each level, adaptive sparse grid interpolation and quadrature are used to approximate the posterior and perform all quadrature operations, respectively. Specifically, our algorithm uses coarse discretizations of the underlying mathematical model to investigate the parameter space and to identify areas of high posterior probability. Adaptive sparse grid algorithms are then used to place points in these areas, and ignore other areas of small posterior probability. The points are weighted Leja points. As the model discretization is coarse, the construction of the sparse grid is computationally efficient. On this sparse grid, the posterior measure can be approximated accurately with few expensive, fine model discretizations. The efficiency of the algorithm can be enhanced further by exploiting more than two discretization levels. We apply the proposed multilevel adaptive sparse Leja algorithm in numerical experiments involving elliptic inverse problems in 2D and 3D space, in which we compare it with Markov chain Monte Carlo sampling and a standard multilevel approximation.

stat.CO