arXiv subjects

Marc L. Klasky

Publications and source records attributed to Marc L. Klasky.

18 recordsLinked to original sources

arXiv2026

Structure-preserving variational neural fields: Uncertainty-quantified reduced-order modeling of nonlinear conservation laws

Reduced-order models, such as latent dynamics models, are becoming mainstream for accelerating simulations for parameterized physical systems governed by nonlinear conservation laws. However, most existing latent dynamics frameworks suffer from two important limitations: they do not provide uncertainty estimates for model predictions, and they do not guarantee adherence to the underlying conservation laws. While these challenges have been addressed separately in prior work, a unified framework that simultaneously provides uncertainty quantification and exact conservation-law preservation remains largely unexplored. In this work, we develop a variational latent neural field framework that integrates Gaussian process-inspired surrogates, enabling estimation of predictive confidence for both in-distribution and out-of-distribution parameter regimes. Three variants of the framework are considered: IRS-UQ, PI-IRS-UQ, and ECLEIRS-UQ, corresponding to unconstrained, physics-informed, and conservation-structure-preserving formulations, respectively. Exact conservation-structure preservation is achieved by embedding the solution dynamics within a conservation-law manifold through a space-time divergence-free representation of the solution-flux field. We demonstrate the applicability of the framework through three numerical experiments: 1) 1-D advection, 2) 2-D Euler and 3) 2-D shallow water equations in parameterized settings. Numerical experiments demonstrate that the proposed approach provides accurate predictions together with uncertainty estimates, while remaining robust to sparse and noisy training data. Comparisons between the proposed three approaches show that conservation-structure preserving latent representations improve robustness to degraded training data while maintaining competitive predictive accuracy and uncertainty quantification capability.

physics.comp-ph↗

arXiv2026

Causal Multi-fidelity Surrogate Forward and Inverse Models for ICF Implosions

Continued progress in inertial confinement fusion (ICF) requires solving inverse problems relating experimental observations to simulation input parameters, followed by design optimization. However, such high-dimensional dynamic PDE-constrained optimization problems are extremely challenging or even intractable. It has been recently shown that inverse problems can be solved by only considering certain robust features. Here we consider the ICF capsule's deuterium-tritium (DT) interface, and construct a causal, dynamic, multifidelity reduced-order surrogate that maps from a time-dependent radiation temperature drive to the interface's radius and velocity dynamics. The surrogate targets an ODE embedding of DT interface dynamics, and is constructed by learning a controller for a base analytical model using low- and high-fidelity simulation training data with respect to radiation energy group structure. After demonstrating excellent accuracy of the surrogate interface model, we use machine learning (ML) models with surrogate-generated data to solve inverse problems optimizing radiation temperature drive to reproduce observed interface dynamics. For sparse snapshots in time, the ML model further characterizes the most informative times at which to sample dynamics. Altogether we demonstrate how operator learning, causal architectures, and physical inductive bias can be integrated to accelerate discovery, design, and diagnostics in high-energy-density systems.

physics.comp-ph↗

arXiv2025

Learning robust parameter inference and density reconstruction in flyer plate impact experiments

Estimating physical parameters or material properties from experimental observations is a common objective in many areas of physics and material science. In many experiments, especially in shock physics, radiography is the primary means of observing the system of interest. However, radiography does not provide direct access to key state variables, such as density, which prevents the application of traditional parameter estimation approaches. Here we focus on flyer plate impact experiments on porous materials, and resolving the underlying parameterized equation of state (EoS) and crush porosity model parameters given radiographic observation(s). We use machine learning as a tool to demonstrate with high confidence that using only high impact velocity data does not provide sufficient information to accurately infer both EoS and crush model parameters, even with fully resolved density fields or a dynamic sequence of images. We thus propose an observable data set consisting of low and high impact velocity experiments/simulations that capture different regimes of compaction and shock propagation, and proceed to introduce a generative machine learning approach which produces a posterior distribution of physical parameters directly from radiographs. We demonstrate the effectiveness of the approach in estimating parameters from simulated flyer plate impact experiments, and show that the obtained estimates of EoS and crush model parameters can then be used in hydrodynamic simulations to obtain accurate and physically admissible density reconstructions. Finally, we examine the robustness of the approach to model mismatches, and find that the learned approach can provide useful parameter estimates in the presence of out-of-distribution radiographic noise and previously unseen physics, thereby promoting a potential breakthrough in estimating material properties from experimental radiographic images.

physics.comp-ph↗

arXiv2025

ECLEIRS: Exact conservation law embedded identification of reduced states for parameterized partial differential equations from sparse and noisy data

Multi-query applications such as parameter estimation, uncertainty quantification and design optimization for parameterized PDE systems are expensive due to the high computational cost of high-fidelity simulations. Reduced/Latent state dynamics approaches for parameterized PDEs offer a viable method where high-fidelity data and machine learning techniques are used to reduce the system's dimensionality and estimate the dynamics of low-dimensional reduced states. These reduced state dynamics approaches rely on high-quality data and struggle with highly sparse spatiotemporal noisy measurements typically obtained from experiments. Furthermore, there is no guarantee that these models satisfy governing physical conservation laws, especially for parameters that are not a part of the model learning process. In this article, we propose a reduced state dynamics approach, which we refer to as ECLEIRS, that satisfies conservation laws exactly even for parameters unseen in the model training process. ECLEIRS is demonstrated for two applications: 1) obtaining clean solution signals from sparse and noisy measurements of parametric systems, and 2) predicting dynamics for unseen system parameters. We compare ECLEIRS with other reduced state dynamics approaches, those that do not enforce any physical constraints and those with physics-informed loss functions, for three shock-propagation problems: 1-D advection, 1-D Burgers and 2-D Euler equations. The numerical experiments conducted in this study demonstrate that ECLEIRS provides the most accurate prediction of dynamics for unseen parameters even in the presence of highly sparse and noisy data. We also demonstrate that ECLEIRS yields solutions and fluxes that satisfy the governing conservation law up to machine precision for unseen parameters, while the other methods yield much higher errors and do not satisfy conservation laws.

physics.comp-ph↗

arXiv2025

Learning Robust Features for Scatter Removal and Reconstruction in Dynamic ICF X-Ray Tomography

Density reconstruction from X-ray projections is an important problem in radiography with key applications in scientific and industrial X-ray computed tomography (CT). Often, such projections are corrupted by unknown sources of noise and scatter, which when not properly accounted for, can lead to significant errors in density reconstruction. In the setting of this problem, recent deep learning-based methods have shown promise in improving the accuracy of density reconstruction. In this article, we propose a deep learning-based encoder-decoder framework wherein the encoder extracts robust features from noisy/corrupted X-ray projections and the decoder reconstructs the density field from the features extracted by the encoder. We explore three options for the latent-space representation of features: physics-inspired supervision, self-supervision, and no supervision. We find that variants based on self-supervised and physicsinspired supervised features perform better over a range of unknown scatter and noise. In extreme noise settings, the variant with self-supervised features performs best. After investigating further details of the proposed deep-learning methods, we conclude by demonstrating that the newly proposed methods are able to achieve higher accuracy in density reconstruction when compared to a traditional iterative technique.

eess.IV↗

arXiv2025

RSR-NF: Neural Field Regularization by Static Restoration Priors for Dynamic Imaging

Dynamic imaging involves the reconstruction of a spatio-temporal object at all times using its undersampled measurements. In particular, in dynamic computed tomography (dCT), only a single projection at one view angle is available at a time, making the inverse problem very challenging. Moreover, ground-truth dynamic data is usually either unavailable or too scarce to be used for supervised learning techniques. To tackle this problem, we propose RSR-NF, which uses a neural field (NF) to represent the dynamic object and, using the Regularization-by-Denoising (RED) framework, incorporates an additional static deep spatial prior into a variational formulation via a learned restoration operator. We use an ADMM-based algorithm with variable splitting to efficiently optimize the variational objective. We compare RSR-NF to three alternatives: NF with only temporal regularization; a recent method combining a partially-separable low-rank representation with RED using a denoiser pretrained on static data; and a deep-image prior-based model. The first comparison demonstrates the reconstruction improvements achieved by combining the NF representation with static restoration priors, whereas the other two demonstrate the improvement over state-of-the art techniques for dCT.

eess.IV↗

arXiv2024

Reconstructing Richtmyer-Meshkov instabilities from noisy radiographs using low dimensional features and attention-based neural networks

A trained attention-based transformer network can robustly recover the complex topologies given by the Richtmyer-Meshkoff instability from a sequence of hydrodynamic features derived from radiographic images corrupted with blur, scatter, and noise. This approach is demonstrated on ICF-like double shell hydrodynamic simulations. The key component of this network is a transformer encoder that acts on a sequence of features extracted from noisy radiographs. This encoder includes numerous self-attention layers that act to learn temporal dependencies in the input sequences and increase the expressiveness of the model. This approach is demonstrated to exhibit an excellent ability to accurately recover the Richtmyer-Meshkov instability growth rates, even despite the gas-metal interface being greatly obscured by radiographic noise.

cs.LG↗

arXiv2024

Neural Network Representations of Multiphase Equations of State

Equations of State model relations between thermodynamic variables and are ubiquitous in scientific modelling, appearing in modern day applications ranging from Astrophysics to Climate Science. The three desired properties of a general Equation of State model are adherence to the Laws of Thermodynamics, incorporation of phase transitions, and multiscale accuracy. Analytic models that adhere to all three are hard to develop and cumbersome to work with, often resulting in sacrificing one of these elements for the sake of efficiency. In this work, two deep-learning methods are proposed that provably satisfy the first and second conditions on a large-enough region of thermodynamic variable space. The first is based on learning the generating function (thermodynamic potential) while the second is based on structure-preserving, symplectic neural networks, respectively allowing modifications near or on phase transition regions. They can be used either "from scratch" to learn a full Equation of State, or in conjunction with a pre-existing consistent model, functioning as a modification that better adheres to experimental data. We formulate the theory and provide several computational examples to justify both approaches, and highlight their advantages and shortcomings.

physics.comp-ph↗

arXiv2024

Diffusion Posterior Sampling for General Noisy Inverse Problems

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring. Code available at https://github.com/DPS2022/diffusion-posterior-sampling

stat.ML↗

arXiv2024

RED-PSM: Regularization by Denoising of Factorized Low Rank Models for Dynamic Imaging

Dynamic imaging addresses the recovery of a time-varying 2D or 3D object at each time instant using its undersampled measurements. In particular, in the case of dynamic tomography, only a single projection at a single view angle may be available at a time, making the problem severely ill-posed. We propose an approach, RED-PSM, which combines for the first time two powerful techniques to address this challenging imaging problem. The first, are non-parametric factorized low rank models, also known as partially separable models (PSMs), which have been used to efficiently introduce a low-rank prior for the spatio-temporal object. The second is the recent Regularization by Denoising (RED), which provides a flexible framework to exploit the impressive performance of state-of-the-art image denoising algorithms, for various inverse problems. We propose a partially separable objective with RED and a computationally efficient and scalable optimization scheme with variable splitting and ADMM. Theoretical analysis proves the convergence of our objective to a value corresponding to a stationary point satisfying the first-order optimality conditions. Convergence is accelerated by a particular projection-domain-based initialization. We demonstrate the performance and computational improvements of our proposed RED-PSM with a learned image denoiser by comparing it to a recent deep-prior-based method known as TD-DIP. Although the main focus is on dynamic tomography, we also show performance advantages of RED-PSM in a cardiac dynamic MRI setting.

eess.IV↗

arXiv2023

Isotopic gamma lines for identification of shielding materials

Identifying the constituting materials of concealed objects is crucial in a wide range of sectors, such as medical imaging, geophysics, nonproliferation, national security investigations, and so on. Existing methods face limitations, particularly when multiple materials are involved or when there are challenges posed by scattered radiation and large areal mass. Here we introduce a novel brute-force statistical approach for material identification using high spectral resolution detectors, such as HPGe. The method relies upon updated semianalytic formulae for computing uncollided flux from source of gamma radiation, shielded by a sequence of nested spherical or cylindrical materials. These semianalytical formulae make possible rapid flux estimation for material characterization via combinatorial search through all possible combinations of materials, using a high-resolution HPGe counting detector. An important prerequisite for the method is that the geometry of the objects is known (for example, from X-ray radiography). We demonstrate the viability of this material characterization technique in several use cases with both simulated and experimental data.

physics.app-ph↗

arXiv2023

Score-based Diffusion Models for Bayesian Image Reconstruction

This paper explores the use of score-based diffusion models for Bayesian image reconstruction. Diffusion models are an efficient tool for generative modeling. Diffusion models can also be used for solving image reconstruction problems. We present a simple and flexible algorithm for training a diffusion model and using it for maximum a posteriori reconstruction, minimum mean square error reconstruction, and posterior sampling. We present experiments on both a linear and a nonlinear reconstruction problem that highlight the strengths and limitations of the approach.

eess.IV↗

arXiv2023

Material Identification From Radiographs Without Energy Resolution

We propose a method for performing material identification from radiographs without energy-resolved measurements. Material identification has a wide variety of applications, including in biomedical imaging, nondestructive testing, and security. While existing techniques for radiographic material identification make use of dual energy sources, energy-resolving detectors, or additional (e.g., neutron) measurements, such setups are not always practical-requiring additional hardware and complicating imaging. We tackle material identification without energy resolution, allowing standard X-ray systems to provide material identification information without requiring additional hardware. Assuming a setting where the geometry of each object in the scene is known and the materials come from a known set of possible materials, we pose the problem as a combinatorial optimization with a loss function that accounts for the presence of scatter and an unknown gain and propose a branch and bound algorithm to efficiently solve it. We present experiments on both synthetic data and real, experimental data with relevance to security applications-thick, dense objects imaged with MeV X-rays. We show that material identification can be efficient and accurate, for example, in a scene with three shells (two copper, one aluminum), our algorithm ran in six minutes on a consumer-level laptop and identified the correct materials as being among the top 10 best matches out of 8,000 possibilities.

eess.IV↗

arXiv2022

Solving 3D Inverse Problems using Pre-trained 2D Diffusion Models

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers, acting as the prior of the distribution, while the information of the forward model can be granted at the sampling stage. Nonetheless, as the generative process remains in the same high dimensional (i.e. identical to data dimension) space, the models have not been extended to 3D inverse problems due to the extremely high memory and computational cost. In this paper, we combine the ideas from the conventional model-based iterative reconstruction with the modern diffusion models, which leads to a highly effective method for solving 3D medical image reconstruction tasks such as sparse-view tomography, limited angle tomography, compressed sensing MRI from pre-trained 2D diffusion models. In essence, we propose to augment the 2D diffusion prior with a model-based prior in the remaining direction at test time, such that one can achieve coherent reconstructions across all dimensions. Our method can be run in a single commodity GPU, and establishes the new state-of-the-art, showing that the proposed method can perform reconstructions of high fidelity and accuracy even in the most extreme cases (e.g. 2-view 3D tomography). We further reveal that the generalization capacity of the proposed method is surprisingly high, and can be used to reconstruct volumes that are entirely different from the training dataset.

cs.CV↗

arXiv2022

Dynamic Tomography Reconstruction by Projection-Domain Separable Modeling

In dynamic tomography the object undergoes changes while projections are being acquired sequentially in time. The resulting inconsistent set of projections cannot be used directly to reconstruct an object corresponding to a time instant. Instead, the objective is to reconstruct a spatio-temporal representation of the object, which can be displayed as a movie. We analyze conditions for unique and stable solution of this ill-posed inverse problem, and present a recovery algorithm, validating it experimentally. We compare our approach to one based on the recently proposed GMLR variation on deep prior for video, demonstrating the advantages of the proposed approach.

eess.IV↗

arXiv2022

Comparing One-step and Two-step Scatter Correction and Density Reconstruction in X-ray CT

In this work, we compare one-step and two-step approaches for X-ray computed tomography (CT) scatter correction and density reconstruction. X-ray CT is an important imaging technique in medical and industrial applications. In many cases, the presence of scattered X-rays leads to loss of contrast and undesirable artifacts in reconstructed images. Many approaches to computationally removing scatter treat scatter correction as a preprocessing step that is followed by a reconstruction step. Treating scatter correction and reconstruction jointly as a single, more complicated optimization problem is less studied. It is not clear from the existing literature how these two approaches compare in terms of reconstruction accuracy. In this paper, we compare idealized versions of these two approaches with synthetic experiments. Our results show that the one-step approach can offer improved reconstructions over the two-step approach, although the gap between them is highly object-dependent.

eess.IV↗

arXiv2021

High-Precision Inversion of Dynamic Radiography Using Hydrodynamic Features

Radiography is often used to probe complex, evolving density fields in dynamic systems and in so doing gain insight into the underlying physics. This technique has been used in numerous fields including materials science, shock physics, inertial confinement fusion, and other national security applications. In many of these applications, however, complications resulting from noise, scatter, complex beam dynamics, etc. prevent the reconstruction of density from being accurate enough to identify the underlying physics with sufficient confidence. As such, density reconstruction from static/dynamic radiography has typically been limited to identifying discontinuous features such as cracks and voids in a number of these applications. In this work, we propose a fundamentally new approach to reconstructing density from a temporal sequence of radiographic images. Using only the robust features identifiable in radiographs, we combine them with the underlying hydrodynamic equations of motion using a machine learning approach, namely, conditional generative adversarial networks (cGAN), to determine the density fields from a dynamic sequence of radiographs. Next, we seek to further enhance the hydrodynamic consistency of the ML-based density reconstruction through a process of parameter estimation and projection onto a hydrodynamic manifold. In this context, we note that the distance from the hydrodynamic manifold given by the training data to the test data in the parameter space considered both serves as a diagnostic of the robustness of the predictions and serves to augment the training database, with the expectation that the latter will further reduce future density reconstruction errors. Finally, we demonstrate the ability of this method to outperform a traditional radiographic reconstruction in capturing allowable hydrodynamic paths even when relatively small amounts of scatter are present.

eess.IV↗

arXiv2021

Local Models for Scatter Estimation and Descattering in Polyenergetic X-Ray Tomography

We propose a new modeling approach for scatter estimation and descattering in polyenergetic X-ray computed tomography (CT) based on fitting models to local neighborhoods of a training set. X-ray CT is widely used in medical and industrial applications. X-ray scatter, if not accounted for during reconstruction, creates a loss of contrast in CT reconstructions and introduces severe artifacts including cupping, shading, and streaks. Even when these qualitative artifacts are not apparent, scatter can pose a major obstacle in obtaining quantitatively accurate reconstructions. Our approach to estimating scatter is, first, to generate a training set of 2D radiographs with and without scatter using particle transport simulation software. To estimate scatter for a new radiograph, we adaptively fit a scatter model to a small subset of the training data containing the radiographs most similar to it. We compared local and global (fit on full data sets) versions of several X-ray scatter models, including two from the recent literature, as well as a recent deep learning-based scatter model, in the context of descattering and quantitative density reconstruction of simulated, spherically symmetrical, single-material objects comprising shells of various densities. Our results show that, when applied locally, even simple models provide state-of-the-art descattering, reducing the error in density reconstruction due to scatter by more than half.

eess.IV↗