arXiv subjects

Youngsoo Choi

Publications and source records attributed to Youngsoo Choi.

At least 37 records · Page 2Linked to original sources

arXiv2025

Thermodynamically Consistent Latent Dynamics Identification for Parametric Systems

We propose an efficient thermodynamics-informed latent space dynamics identification (tLaSDI) framework for the reduced-order modeling of parametric nonlinear dynamical systems. This framework integrates autoencoders for dimensionality reduction with newly developed parametric GENERIC formalism-informed neural networks (pGFINNs), which enable efficient learning of parametric latent dynamics while preserving key thermodynamic principles such as free energy conservation and entropy generation across the parameter space. To further enhance model performance, a physics-informed active learning strategy is incorporated, leveraging a greedy, residual-based error indicator to adaptively sample informative training data, outperforming uniform sampling at equivalent computational cost. Numerical experiments on the Burgers' equation and the 1D/1V Vlasov-Poisson equation demonstrate that the proposed method achieves up to 3,528x speed-up with 1-3% relative errors, and significant reduction in training (50-90%) and inference (57-61%) cost. Moreover, the learned latent space dynamics reveal the underlying thermodynamic behavior of the system, offering valuable insights into the physical-space dynamics.

cs.LG↗

arXiv2025

Defining Foundation Models for Computational Science: A Call for Clarity and Rigor

The widespread success of foundation models in natural language processing and computer vision has inspired researchers to extend the concept to scientific machine learning and computational science. However, this position paper argues that as the term "foundation model" is an evolving concept, its application in computational science is increasingly used without a universally accepted definition, potentially creating confusion and diluting its precise scientific meaning. In this paper, we address this gap by proposing a formal definition of foundation models in computational science, grounded in the core values of generality, reusability, and scalability. We articulate a set of essential and desirable characteristics that such models must exhibit, drawing parallels with traditional foundational methods, like the finite element and finite volume methods. Furthermore, we introduce the Data-Driven Finite Element Method (DD-FEM), a framework that fuses the modular structure of classical FEM with the representational power of data-driven learning. We demonstrate how DD-FEM addresses many of the key challenges in realizing foundation models for computational science, including scalability, adaptability, and physics consistency. By bridging traditional numerical methods with modern AI paradigms, this work provides a rigorous foundation for evaluating and developing novel approaches toward future foundation models in computational science.

cs.LG↗

arXiv2025

Real-Time Reconstruction of Ground Motion During Small Magnitude Earthquakes: A Pilot Study

This study presents a pilot investigation into a novel method for reconstructing real-time ground motion during small magnitude earthquakes (M < 4.5), removing the need for computationally expensive source characterization and simulation processes to assess ground shaking. Small magnitude earthquakes, which occur frequently and can be modeled as point sources, provide ideal conditions for evaluating real-time reconstruction methods. Utilizing sparse observation data, the method applies the Gappy Auto-Encoder (Gappy AE) algorithm for efficient field data reconstruction. This is the first study to apply the Gappy AE algorithm to earthquake ground motion reconstruction. Numerical experiments conducted with SW4 simulations demonstrate the method's accuracy and speed across varying seismic scenarios. The reconstruction performance is further validated using real seismic data from the Berkeley area in California, USA, demonstrating the potential for practical application of real-time earthquake data reconstruction using Gappy AE. As a pilot investigation, it lays the groundwork for future applications to larger and more complex seismic events.

physics.geo-ph↗

arXiv2025

Harnessing On-Machine Metrology Data for Prints with a Surrogate Model for Laser Powder Directed Energy Deposition

In this study, we leverage the massive amount of multi-modal on-machine metrology data generated from Laser Powder Directed Energy Deposition (LP-DED) to construct a comprehensive surrogate model of the 3D printing process. By employing Dynamic Mode Decomposition with Control (DMDc), a data-driven technique, we capture the complex physics inherent in this extensive dataset. This physics-based surrogate model emphasizes thermodynamically significant quantities, enabling us to accurately predict key process outcomes. The model ingests 21 process parameters, including laser power, scan rate, and position, while providing outputs such as melt pool temperature, melt pool size, and other essential observables. Furthermore, it incorporates uncertainty quantification to provide bounds on these predictions, enhancing reliability and confidence in the results. We then deploy the surrogate model on a new, unseen part and monitor the printing process as validation of the method. Our experimental results demonstrate that the predictions align with actual measurements with high accuracy, confirming the effectiveness of our approach. This methodology not only facilitates real-time predictions but also operates at process-relevant speeds, establishing a basis for implementing feedback control in LP-DED.

eess.SY↗

arXiv2025

Reducing Frequency Bias of Fourier Neural Operators in 3D Seismic Wavefield Simulations Through Multi-Stage Training

The recent development of Neural Operator (NeurOp) learning for solutions to the elastic wave equation shows promising results and provides the basis for fast large-scale simulations for different seismological applications. In this paper, we use the Fourier Neural Operator (FNO) model to directly solve the 3D Helmholtz wave equation for fast seismic ground motion simulations on different frequencies, and show the frequency bias of the FNO model, i.e. it learns the lower frequencies better comparing to the higher frequencies. To reduce the frequency bias, we adopt the multi-stage FNO training, i.e., after training a 1st stage FNO model for estimating the ground motion, we use a second FNO model as the 2nd stage to learn from the residual, which greatly reduced the errors on the higher frequencies. By adopting this multi-stage training, the FNO models show reduced biases on higher frequencies, which enhanced the overall results of the ground motion simulations. Thus the multi-stage training FNO improves the accuracy and realism of the ground motion simulations.

physics.geo-ph↗

arXiv2025

Local Reduced-Order Modeling for Electrostatic Plasmas by Physics-Informed Solution Manifold Decomposition

Despite advancements in high-performance computing and modern numerical algorithms, computational cost remains prohibitive for multi-query kinetic plasma simulations. In this work, we develop data-driven reduced-order models (ROMs) for collisionless electrostatic plasma dynamics, based on the kinetic Vlasov-Poisson equation. Our ROM approach projects the equation onto a linear subspace defined by the proper orthogonal decomposition (POD) modes. We introduce an efficient tensorial method to update the nonlinear term using a precomputed third-order tensor. We capture multiscale behavior with a minimal number of POD modes by decomposing the solution manifold into multiple time windows and creating temporally local ROMs. We consider two strategies for decomposition: one based on the physical time and the other based on the electric field energy. Applied to the 1D1V Vlasov-Poisson simulations, that is, prescribed E-field, Landau damping, and two-stream instability, we demonstrate that our ROMs accurately capture the total energy of the system both for parametric and time extrapolation cases. The temporally local ROMs are more efficient and accurate than the single ROM. In addition, in the two-stream instability case, we show that the energy-windowing reduced-order model (EW-ROM) is more efficient and accurate than the time-windowing reduced-order model (TW-ROM). With the tensorial approach, EW-ROM solves the equation approximately 90 times faster than Eulerian simulations while maintaining a maximum relative error of 7.5% for the training data and 11% for the testing data.

math.NA↗

arXiv2024

Physics-informed reduced order model with conditional neural fields

This study presents the conditional neural fields for reduced-order modeling (CNF-ROM) framework to approximate solutions of parametrized partial differential equations (PDEs). The approach combines a parametric neural ODE (PNODE) for modeling latent dynamics over time with a decoder that reconstructs PDE solutions from the corresponding latent states. We introduce a physics-informed learning objective for CNF-ROM, which includes two key components. First, the framework uses coordinate-based neural networks to calculate and minimize PDE residuals by computing spatial derivatives via automatic differentiation and applying the chain rule for time derivatives. Second, exact initial and boundary conditions (IC/BC) are imposed using approximate distance functions (ADFs) [Sukumar and Srivastava, CMAME, 2022]. However, ADFs introduce a trade-off as their second- or higher-order derivatives become unstable at the joining points of boundaries. To address this, we introduce an auxiliary network inspired by [Gladstone et al., NeurIPS ML4PS workshop, 2022]. Our method is validated through parameter extrapolation and interpolation, temporal extrapolation, and comparisons with analytical solutions.

math.NA↗

arXiv2024

Data-Driven, Parameterized Reduced-order Models for Predicting Distortion in Metal 3D Printing

In Laser Powder Bed Fusion (LPBF), the applied laser energy produces high thermal gradients that lead to unacceptable final part distortion. Accurate distortion prediction is essential for optimizing the 3D printing process and manufacturing a part that meets geometric accuracy requirements. This study introduces data-driven parameterized reduced-order models (ROMs) to predict distortion in LPBF across various machine process settings. We propose a ROM framework that combines Proper Orthogonal Decomposition (POD) with Gaussian Process Regression (GPR) and compare its performance against a deep-learning based parameterized graph convolutional autoencoder (GCA). The POD-GPR model demonstrates high accuracy, predicting distortions within $\pm0.001mm$, and delivers a computational speed-up of approximately 1800x.

cs.LG↗

arXiv2024

Scalable nonlinear manifold reduced order model for dynamical systems

The domain decomposition (DD) nonlinear-manifold reduced-order model (NM-ROM) represents a computationally efficient method for integrating underlying physics principles into a neural network-based, data-driven approach. Compared to linear subspace methods, NM-ROMs offer superior expressivity and enhanced reconstruction capabilities, while DD enables cost-effective, parallel training of autoencoders by partitioning the domain into algebraic subdomains. In this work, we investigate the scalability of this approach by implementing a "bottom-up" strategy: training NM-ROMs on smaller domains and subsequently deploying them on larger, composable ones. The application of this method to the two-dimensional time-dependent Burgers' equation shows that extrapolating from smaller to larger domains is both stable and effective. This approach achieves an accuracy of 1% in relative error and provides a remarkable speedup of nearly 700 times.

math.NA↗

arXiv2024

Quantifying Qualitative Insights: Leveraging LLMs to Market Predict

Recent advancements in Large Language Models (LLMs) have the potential to transform financial analytics by integrating numerical and textual data. However, challenges such as insufficient context when fusing multimodal information and the difficulty in measuring the utility of qualitative outputs, which LLMs generate as text, have limited their effectiveness in tasks such as financial forecasting. This study addresses these challenges by leveraging daily reports from securities firms to create high-quality contextual information. The reports are segmented into text-based key factors and combined with numerical data, such as price information, to form context sets. By dynamically updating few-shot examples based on the query time, the sets incorporate the latest information, forming a highly relevant set closely aligned with the query point. Additionally, a crafted prompt is designed to assign scores to the key factors, converting qualitative insights into quantitative results. The derived scores undergo a scaling process, transforming them into real-world values that are used for prediction. Our experiments demonstrate that LLMs outperform time-series models in market forecasting, though challenges such as imperfect reproducibility and limited explainability remain.

q-fin.CP↗

arXiv2024

Scaled-up prediction of steady Navier-Stokes equation with component reduced order modeling

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, component reduced order modeling method is developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has been only demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier-Stokes flow, with application to general nonlinear physics in view. Large-scale, global domain is decomposed into combination of small-scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected at small scale unit component. Velocity bases are augmented with pressure supremizer, in order to satisfy inf-sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: 3rd-order tensor projection operator and empirical quadrature procedure. The proposed method is demonstrated on flow over arrays of five different unit objects, achieving $23$ times faster prediction with less than $4\%$ relative error up to $256$ times larger scale domain than unit components. Furthermore, a numerical experiment with pressure supremizer strongly indicates the need of supremizer for stable pressure prediction. A comparison between tensorial approach and empirical quadrature procedure is performed, which suggests a slight advantage for empirical quadrature procedure.

math.NA↗

arXiv2024

Scalable physics-guided data-driven component model reduction for steady Navier-Stokes flow

Computational physics simulation can be a powerful tool to accelerate industry deployment of new scientific technologies. However, it must address the challenge of computationally tractable, moderately accurate prediction at large industry scales, and training a model without data at such large scales. A recently proposed component reduced order modeling (CROM) tackles this challenge by combining reduced order modeling (ROM) with discontinuous Galerkin domain decomposition (DG-DD). While it can build a component ROM at small scales that can be assembled into a large scale system, its application is limited to linear physics equations. In this work, we extend CROM to nonlinear steady Navier-Stokes flow equation. Nonlinear advection term is evaluated via tensorial approach or empirical quadrature procedure. Application to flow past an array of objects at moderate Reynolds number demonstrates $\sim23.7$ times faster solutions with a relative error of $\sim 2.3\%$, even at scales $256$ times larger than the original problem.

math.NA↗

arXiv2024

Physics-informed active learning with simultaneous weak-form latent space dynamics identification

The parametric greedy latent space dynamics identification (gLaSDI) framework has demonstrated promising potential for accurate and efficient modeling of high-dimensional nonlinear physical systems. However, it remains challenging to handle noisy data. To enhance robustness against noise, we incorporate the weak-form estimation of nonlinear dynamics (WENDy) into gLaSDI. In the proposed weak-form gLaSDI (WgLaSDI) framework, an autoencoder and WENDy are trained simultaneously to discover intrinsic nonlinear latent-space dynamics of high-dimensional data. Compared to the standard sparse identification of nonlinear dynamics (SINDy) employed in gLaSDI, WENDy enables variance reduction and robust latent space discovery, therefore leading to more accurate and efficient reduced-order modeling. Furthermore, the greedy physics-informed active learning in WgLaSDI enables adaptive sampling of optimal training data on the fly for enhanced modeling accuracy. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including viscous and inviscid Burgers' equations, time-dependent radial advection, and the Vlasov equation for plasma physics. With data that contains 5-10% Gaussian white noise, WgLaSDI outperforms gLaSDI by orders of magnitude, achieving 1-7% relative errors. Compared with the high-fidelity models, WgLaSDI achieves 121 to 1,779x speed-up.

cs.CE↗

arXiv2024

GPLaSDI: Gaussian Process-based Interpretable Latent Space Dynamics Identification through Deep Autoencoder

Numerically solving partial differential equations (PDEs) can be challenging and computationally expensive. This has led to the development of reduced-order models (ROMs) that are accurate but faster than full order models (FOMs). Recently, machine learning advances have enabled the creation of non-linear projection methods, such as Latent Space Dynamics Identification (LaSDI). LaSDI maps full-order PDE solutions to a latent space using autoencoders and learns the system of ODEs governing the latent space dynamics. By interpolating and solving the ODE system in the reduced latent space, fast and accurate ROM predictions can be made by feeding the predicted latent space dynamics into the decoder. In this paper, we introduce GPLaSDI, a novel LaSDI-based framework that relies on Gaussian process (GP) for latent space ODE interpolations. Using GPs offers two significant advantages. First, it enables the quantification of uncertainty over the ROM predictions. Second, leveraging this prediction uncertainty allows for efficient adaptive training through a greedy selection of additional training data points. This approach does not require prior knowledge of the underlying PDEs. Consequently, GPLaSDI is inherently non-intrusive and can be applied to problems without a known PDE or its residual. We demonstrate the effectiveness of our approach on the Burgers equation, Vlasov equation for plasma physics, and a rising thermal bubble problem. Our proposed method achieves between 200 and 100,000 times speed-up, with up to 7% relative error.

cs.CE↗

arXiv2024

Gappy AE: A Nonlinear Approach for Gappy Data Reconstruction using Auto-Encoder

We introduce a novel data reconstruction algorithm known as Gappy auto-encoder (Gappy AE) to address the limitations associated with Gappy proper orthogonal decomposition (Gappy POD), a widely used method for data reconstruction when dealing with sparse measurements or missing data. Gappy POD has inherent constraints in accurately representing solutions characterized by slowly decaying Kolmogorov N-widths, primarily due to its reliance on linear subspaces for data prediction. In contrast, Gappy AE leverages the power of nonlinear manifold representations to address data reconstruction challenges of conventional Gappy POD. It excels at real-time state prediction in scenarios where only sparsely measured data is available, filling in the gaps effectively. This capability makes Gappy AE particularly valuable, such as for digital twin and image correction applications. To demonstrate the superior data reconstruction performance of Gappy AE with sparse measurements, we provide several numerical examples, including scenarios like 2D diffusion, 2D radial advection, and 2D wave equation problems. Additionally, we assess the impact of four distinct sampling algorithms - discrete empirical interpolation method, the S-OPT algorithm, Latin hypercube sampling, and uniformly distributed sampling - on data reconstruction accuracy. Our findings conclusively show that Gappy AE outperforms Gappy POD in data reconstruction when sparse measurements are given.

physics.comp-ph↗

arXiv2024

tLaSDI: Thermodynamics-informed latent space dynamics identification

We propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

cs.LG↗

arXiv2024

A Comprehensive Review of Latent Space Dynamics Identification Algorithms for Intrusive and Non-Intrusive Reduced-Order-Modeling

Numerical solvers of partial differential equations (PDEs) have been widely employed for simulating physical systems. However, the computational cost remains a major bottleneck in various scientific and engineering applications, which has motivated the development of reduced-order models (ROMs). Recently, machine-learning-based ROMs have gained significant popularity and are promising for addressing some limitations of traditional ROM methods, especially for advection dominated systems. In this chapter, we focus on a particular framework known as Latent Space Dynamics Identification (LaSDI), which transforms the high-fidelity data, governed by a PDE, to simpler and low-dimensional latent-space data, governed by ordinary differential equations (ODEs). These ODEs can be learned and subsequently interpolated to make ROM predictions. Each building block of LaSDI can be easily modulated depending on the application, which makes the LaSDI framework highly flexible. In particular, we present strategies to enforce the laws of thermodynamics into LaSDI models (tLaSDI), enhance robustness in the presence of noise through the weak form (WLaSDI), select high-fidelity training data efficiently through active learning (gLaSDI, GPLaSDI), and quantify the ROM prediction uncertainty through Gaussian processes (GPLaSDI). We demonstrate the performance of different LaSDI approaches on Burgers equation, a non-linear heat conduction problem, and a plasma physics problem, showing that LaSDI algorithms can achieve relative errors of less than a few percent and up to thousands of times speed-ups.

cs.CE↗

arXiv2024

A fast and accurate domain-decomposition nonlinear manifold reduced order model

This paper integrates nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD). NM-ROMs approximate the full order model (FOM) state in a nonlinear-manifold by training a shallow, sparse autoencoder using FOM snapshot data. These NM-ROMs can be advantageous over linear-subspace ROMs (LS-ROMs) for problems with slowly decaying Kolmogorov n-width. However, the number of NM-ROM parameters that need to be trained scales with the size of the FOM. Moreover, for "extreme-scale" problems, the storage of high-dimensional FOM snapshots alone can make ROM training expensive. To alleviate the training cost, this paper applies DD to the FOM, computes NM-ROMs on each subdomain, and couples them to obtain a global NM-ROM. This approach has several advantages: Subdomain NM-ROMs can be trained in parallel, involve fewer parameters to be trained than global NM-ROMs, require smaller subdomain FOM dimensional training data, and can be tailored to subdomain-specific features of the FOM. The shallow, sparse architecture of the autoencoder used in each subdomain NM-ROM allows application of hyper-reduction (HR), reducing the complexity caused by nonlinearity and yielding computational speedup of the NM-ROM. This paper provides the first application of NM-ROM (with HR) to a DD problem. In particular, this paper details an algebraic DD reformulation of the FOM, training a NM-ROM with HR for each subdomain, and a sequential quadratic programming (SQP) solver to evaluate the coupled global NM-ROM. Theoretical convergence results for the SQP method and a priori and a posteriori error estimates for the DD NM-ROM with HR are provided. The proposed DD NM-ROM with HR approach is numerically compared to a DD LS-ROM with HR on the 2D steady-state Burgers' equation, showing an order of magnitude improvement in accuracy of the proposed DD NM-ROM over the DD LS-ROM.

math.NA↗