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At least 235 records · Page 13

Gradient-enhanced physics-informed neural networks for forward and inverse PDE problems

Deep learning has been shown to be an effective tool in solving partial differential equations (PDEs) through physics-informed neural networks (PINNs). PINNs embed the PDE residual into the loss function of the neural network, and have been successfully employed to solve diverse forward and inverse PDE problems. However, one disadvantage of the first generation of PINNs is that they usually have limited accuracy even with many training points. Here, we propose a new method, gradient-enhanced physics-informed neural networks (gPINNs), for improving the accuracy of PINNs. gPINNs leverage gradient information of the PDE residual and embed the gradient into the loss function. We tested gPINNs extensively and demonstrated the effectiveness of gPINNs in both forward and inverse PDE problems. Our numerical results show that gPINN performs better than PINN with fewer training points. Additionally, we combined gPINN with the method of residual-based adaptive refinement (RAR), a method for improving the distribution of training points adaptively during training, to further improve the performance of gPINN, especially in PDEs with solutions that have steep gradients.

42 ENGINEERING↗

Adaptive 3D convolutional neural network-based reconstruction method for 3D coherent diffraction imaging

We present a novel adaptive machine-learning based approach for reconstructing three-dimensional (3D) crystals from coherent diffraction imaging. We represent the crystals using spherical harmonics (SH) and generate the corresponding synthetic diffraction patterns. We utilize 3D convolutional neural networks (CNNs) to learn a mapping between 3D diffraction volumes and the SH, which describe the boundary of the physical volumes from which they were generated. We use the 3D CNN-predicted SH coefficients as the initial guesses, which are then fine-tuned using adaptive model-independent feedback for improved accuracy. We also adaptively tune the locations, intensities, and decay rates of collections of radial basis functions in order to reproduce the non-uniform internal structure of 3D objects and demonstrate the method for a synthetic volume that has an internal void and a density ramp.

36 MATERIALS SCIENCE↗

Adaptive Time Step Control for Multirate Infinitesimal Methods

Multirate methods have been used for decades to temporally evolve initial-value problems in which different components evolve on distinct time scales, and thus use of different step sizes for these components can result in increased computational efficiency. Generally, such methods select these different step sizes based on experimentation or stability considerations. For problems that evolve on a single time scale, adaptivity approaches that strive to control local temporal error are widely used to achieve numerical results of a desired accuracy with minimal computational effort, while alleviating the need for manual experimentation with different time step sizes. However, there is a notable gap in the publication record on the development of adaptive time step controllers for multirate methods. In this paper, we extend the single-rate controller work of Gustafsson [ACM Trans. Math. Software, 20 (1994), pp. 496-517] to the multirate method setting. Specifically, we develop controllers based on polynomial approximations to the principal error functions for both the "fast" and "slow" time scales within multirate infinitesimal (MRI) methods. We additionally investigate a variety of approaches for estimating the errors arising from each time scale within MRI methods. We then numerically evaluate the proposed multirate controllers and error estimation strategies on a range of multirate test problems, comparing their performance against an estimated optimal performance. Through this work, we combine the most performant of these approaches to arrive at a set of multirate adaptive time step controllers that robustly achieve desired solution accuracy with minimal computational effort.

97 MATHEMATICS AND COMPUTING↗

DeepAstroUDA: semi-supervised universal domain adaptation for cross-survey galaxy morphology classification and anomaly detection

Abstract Artificial intelligence methods show great promise in increasing the quality and speed of work with large astronomical datasets, but the high complexity of these methods leads to the extraction of dataset-specific, non-robust features. Therefore, such methods do not generalize well across multiple datasets. We present a universal domain adaptation method, DeepAstroUDA , as an approach to overcome this challenge. This algorithm performs semi-supervised domain adaptation (DA) and can be applied to datasets with different data distributions and class overlaps. Non-overlapping classes can be present in any of the two datasets (the labeled source domain, or the unlabeled target domain), and the method can even be used in the presence of unknown classes. We apply our method to three examples of galaxy morphology classification tasks of different complexities (three-class and ten-class problems), with anomaly detection: (1) datasets created after different numbers of observing years from a single survey (Legacy Survey of Space and Time mock data of one and ten years of observations); (2) data from different surveys (Sloan Digital Sky Survey (SDSS) and DECaLS); and (3) data from observing fields with different depths within one survey (wide field and Stripe 82 deep field of SDSS). For the first time, we demonstrate the successful use of DA between very discrepant observational datasets. DeepAstroUDA is capable of bridging the gap between two astronomical surveys, increasing classification accuracy in both domains (up to 40 % on the unlabeled data), and making model performance consistent across datasets. Furthermore, our method also performs well as an anomaly detection algorithm and successfully clusters unknown class samples even in the unlabeled target dataset.

79 ASTRONOMY AND ASTROPHYSICS↗

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗

Adaptive Mesh Refinement for Parallel in Time Methods

The project applied the multigrid-reduction-in-time (MGRIT) algorithm to an existing sub-cycled adaptive mesh refinement (AMR) code to investigate the performance of flows dominated by inertial physics. Previous work demonstrated good performance from MGRIT+AMR applied to flows dominated by diffusive physics. Consistent with previous experience, inertial physics negatively affected convergence rates and performance. Efforts to circumvent this issue by appealing to the physics of turbulence were investigated. It has been demonstrated that scales can be effectively transferred between multigrid levels for a turbulent flow resulting in a) partial convergence observed and b) nearly identical results to sequential time-stepping. Performance improvements have not yet been demonstrated - attempts at coarsening the grid on coarser MG levels compromises the solution quality and leads to divergence. This report summarize the accomplishments for the time-frame from 10/5/2020 to 12/31/2020 with an informal no-cost-extension to 05/20/2021

97 MATHEMATICS AND COMPUTING↗

DESS (Differential Equation System Solver) [SWR-24-48]

The Differential Equation System Solver (DESS) is a Rust crate implementing fixed-step and adaptive-step solvers and designed especially for modeling physical systems. Seven explicit ordinary differential equation (ODE) solver methods have been added so far: Euler’s, Heun’s, Midpoint, Ralston’s, Classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These comprise five fixed-step methods and two adaptive-step methods. Few solver packages are implemented in the Rust ecosystem and none are intended specifically for physical system modeling, so the goal of DESS is to create a Rust ODE solver crate designed to easily specify and model physical systems with modular, configurable solver options. In addition to allowing users to directly input equations to solve, DESS allows users to optionally specify and define relationships between nodes in their system, which the package then translates into a system of equations via the Rust macro system, leading to simpler and more intuitive code.

Steuteville, Robin↗

Root identification in minirhizotron imagery with multiple instance learning

In this study, multiple instance learning (MIL) algorithms to automatically perform root detection and segmentation in minirhizotron imagery using only image-level labels are proposed. Root and soil characteristics vary from location to location, and thus, supervised machine learning approaches that are trained with local data provide the best ability to identify and segment roots in minirhizotron imagery. However, labeling roots for training data (or otherwise) is an extremely tedious and time-consuming task. This paper aims to address this problem by labeling data at the image level (rather than the individual root or root pixel level) and train algorithms to perform individual root pixel level segmentation using MIL strategies. Three MIL methods (multiple instance adaptive cosine coherence estimator, multiple instance support vector machine, multiple instance learning with randomized trees) were applied to root detection and compared to non-MIL approaches. The results show that MIL methods improve root segmentation in challenging minirhizotron imagery and reduce the labeling burden. In our results, multiple instance support vector machine outperformed other methods. The multiple instance adaptive cosine coherence estimator algorithm was a close second with an added advantage that it learned an interpretable root signature which identified the traits used to distinguish roots from soil and did not require parameter selection.

59 BASIC BIOLOGICAL SCIENCES↗

An adaptive moments-based interface reconstruction using intersection of the cell with one half-plane, two half-planes and a circle

We present a new adaptive moment-of-fluid (A-MOF) interface reconstruction method. It uses the zeroth, first, and second moments of the fragment of material inside a cell of the mesh to construct a shape that approximates the respective material fragment. The new method requires information about the material moments only for the cell under consideration. The adaptive method chooses between shapes obtained by the intersection of the cell with one half-plane, two half-planes, or a circle. The A-MOF method allows to exactly reproduce several convex shapes: corners, filaments, and their concave cell-complements; as well as pieces of the circles and its cell-compliments. Interface reconstruction is formulated as a local (for each cell), non-linear, equality constrained optimization problem, which does not require additional communication and allows for an efficient parallel implementation. In conclusion, we present an extensive set of test problems, both for interface reconstruction on a single cell, and for reconstruction of a variety of shapes on the entire mesh.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Normalizing flows for domain adaptation when identifying Λ hyperon events

Here this study focuses on the application of a normalizing flow as a method of domain adaptation when classifying physics data. Normalizing flows offer a way to transform data points between two different distributions. The present study investigates a novel method of transforming latent representations of physics data to a normal distribution and then to a physics distribution again. The final distribution models a simulated distribution. After being transformed, the data can be classified by a neural network trained on labeled simulation data. The present study succeeds in training two normalizing flows that can transform between data (or simulation) and a Gaussian distribution.

47 OTHER INSTRUMENTATION↗

Target Detection via Cognitive Radars Using Change-Point Detection, Learning, and Adaptation

Many radar detection algorithms that assume a stationary environment (clutter) have been proposed and analyzed over the years. However, in practice, changes in the nonstationary environment can perturb the parameters of the clutter distribution, or even alter the clutter distribution family, which can greatly deteriorate the target detection capability. To avoid such potential performance degradation, cognitive radar systems are envisioned which are required to rapidly realize the nonstationarity, accurately learn the new characteristics of the environments, and adaptively update the detector. In this paper, aiming to develop a fully cognitive radar for target detection in nonstationary environments, we propose a unifying framework that integrates (i) change-point detection of clutter distributions by using a data-driven cumulative sum (CUSUM) algorithm and its extended version, (ii) learning/identification of clutter distribution by applying sparse theory and kernel density estimation methods, and (iii) adaptive target detection by automatically modifying the likelihood-ratio test and corresponding detection threshold. Further, with extensive numerical examples, we demonstrate the achieved improvements in detection performance due to the proposed framework in comparison to a nonadaptive case, an adaptive matched filter (AMF) method, and the clairvoyant case. Herein, we also use Wilcoxon rank-sum tests to evaluate the statistical significance of the performance improvements

42 ENGINEERING↗

The Schwarz Alternating Method for the Seamless Coupling of Nonlinear Reduced Order Models and Full Order Models

Projection-based model order reduction allows for the parsimonious representation of full order models (FOMs), typically obtained through the discretization of a set of partial differential equations (PDEs) using conventional techniques (e.g., finite element, finite volume, finite difference methods) where the discretization may contain a very large number of degrees of freedom. As a result of this more compact representation, the resulting projection-based reduced order models (ROMs) can achieve considerable computational speedups, which are especially useful in real-time or multi-query analyses. One known deficiency of projection-based ROMs is that they can suffer from a lack of robustness, stability and accuracy, especially in the predictive regime, which ultimately limits their useful application. Another research gap that has prevented the widespread adoption of ROMs within the modeling and simulation community is the lack of theoretical and algorithmic foundations necessary for the “plug-and-play” integration of these models into existing multi-scale and multi-physics frameworks. This paper describes a new methodology that has the potential to address both of the aforementioned deficiencies by coupling projection-based ROMs with each other as well as with conventional FOMs by means of the Schwarz alternating method [41]. Leveraging recent work that adapted the Schwarz alternating method to enable consistent and concurrent multiscale coupling of finite element FOMs in solid mechanics [35, 36], we present a new extension of the Schwarz framework that enables FOM-ROM and ROM-ROM coupling, following a domain decomposition of the physical geometry on which a PDE is posed. In order to maintain efficiency and achieve computation speed-ups, we employ hyper-reduction via the Energy-Conserving Sampling and Weighting (ECSW) approach [13]. We evaluate the proposed coupling approach in the reproductive as well as in the predictive regime on a canonical test case that involves the dynamic propagation of a traveling wave in a nonlinear hyper-elastic material.

97 MATHEMATICS AND COMPUTING↗

Stochastic Adaptive Droop Control in Frequency Regulation of Power Systems With Intermittent Generators

Modern power systems (MPSs), including microgrids (MGs), are increasingly incorporating multiple renewable energy sources (RESs) such as wind and solar power, as well as battery storage and controllable loads. While environmentally beneficial, these sources pose challenges for control and management due to their intermittent and stochastic nature, especially in maintaining frequency stability with multiple interconnected generators of varying capacities. Traditional droop control methods are effective in systems with generators that are dispatchable and have fixed generation capacities, but they fall short when applied to systems with RESs, where generation capacities are dynamic and affected by unpredictable environmental conditions. To address these challenges, this paper introduces a novel stochastic adaptive droop control (SADC) method for load frequency control (LFC). The proposed method adapts droop coefficients in real time, based on the measured stochastic data of power generation capacities, enabling more effective frequency regulation in systems with variable and intermittent power generation. Unlike traditional adaptive control methods, which assume constant or slowly-varying system parameters, this approach accounts for stochastic processes by modeling them as Markov chains, enabling robust performance under highly dynamic and unpredictable conditions. The key contributions of this work include the development of real-time droop coefficient adaptation algorithms, derivation of their stability and convergence properties, and the demonstration of the advantages of the method through simulations. Case studies highlight the improved performance of frequency regulation, particularly in addressing the impact of stochastic weather conditions and the benefits of reducing dependence on battery reserves in dealing with intermittency of RESs. Finally, this paper provides a comprehensive analysis of the theoretical foundations of the method, as well as practical implementation insights for future power systems with high penetration of RESs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of Markov Chain Monte Carlo Methods for Uncertainty Quantification in Inverse Transport Problems

Determination of the components of a radioactive source/shield system using the system’s radiation signature is of great importance in homeland security, material safeguards, and waste management. Although significant progress has been made toward solving this inverse transport problem in recent years, work remains to be done to quantify the uncertainty in reconstructed results. In this article we apply two Markov chain Monte Carlo (MCMC) approaches, the delayed rejection adaptive metropolis (DRAM) and differential evolution adaptive metropolis (DREAM) methods, to solve inverse problems and quantify uncertainty. The DRAM method uses delayed rejection combined with global adaptation of the proposal covariance matrix. Furthermore, the DREAM method hybridizes MCMC sampling with the differential evolution (DE) algorithm. In numerical test cases, the DRAM and DREAM methods are shown to be superior to a first-order inverse Hessian approach for problems with noisy data and multiple unknown quantities, with DREAM converging to the posterior distribution more quickly than DRAM. The DREAM and DRAM results indicate that a full posterior distribution is required to quantify uncertainty in many inverse transport problems.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Adaptive variational ground state preparation for spin-1 models on qubit-based architectures

Here, we apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin S = 1 models. We compare different spin-to-qubit encodings (standard binary, Gray, unary, and multiplet) with regard to the performance and quantum resource cost of the algorithm. Using state-vector simulations, we study two well-known spin-1 models: the Blume-Capel model of transverse-field Ising spins with single-ion anisotropy, and the XXZ model with single-ion anisotropy. We consider system sizes of up to 20 qubits, which corresponds to spin-1 chains up to length 10. We determine the dependence of the number of CNOT gates in the AVQITE state preparation circuit on the encoding, the initial state, and the choice of operator pool in the adaptive method. Independent of the choice of encoding, we find that the CNOT gate count scales cubically with the number of spins for the Blume-Capel model and quartically for the anisotropic XXZ model. However, the multiplet and Gray encodings present smaller prefactors in the scaling relations. These results provide useful insights for the implementation of AVQITE on quantum hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Edge Alignment-Based Orientation Selection Method for Neutron Tomography

Neutron computed tomography (nCT) is a 3D char-acterization technique used to image the internal morphology or chemical composition of samples in biology and materials sciences. A typical workflow involves placing the sample in the path of a neutron beam, acquiring projection data at a predefined set of orientations, and processing the resulting data using an analytic reconstruction algorithm. Typical nCT scans require hours to days to complete and are then processed using conventional filtered back-projection (FBP), which performs poorly with sparse views or noisy data. Hence, the main methods in order to reduce overall acquisition time are the use of an improved sampling strategy combined with the use of advanced reconstruction methods such as model-based iterative reconstruction (MBIR). In this paper, we propose an adaptive orientation selection method in which an MBIR reconstruction on previously-acquired measurements is used to define an objective function on orientations that balances a data-fitting term promoting edge alignment and a regularization term promoting orientation diversity. Using simulated and experimental data, we demonstrate that our method produces high-quality reconstructions using significantly fewer total measurements than the conventional approach.

Yang, Diyu↗

Boosting efficiency and reducing graph reliance: Basis adaptation integration in Bayesian multi-fidelity networks

The computational cost of high-fidelity numerical models makes outer-loop analysis, which requires repeated interrogation of the model such as uncertainty quantification, computationally demanding. Multi-fidelity methods, which construct a surrogate model using data from an ensemble of models of varying cost and accuracy, can substantially reduce the cost of outer-loop analysis. However, these methods can be difficult to apply when the model ensemble does not admit a clear hierarchy a priori and the correlations between models are low. Consequently, in this paper, we present a multi-fidelity method that leverages dimension reduction to enhance the correlation between models, thereby reducing the amount of data needed to train a surrogate from an unordered ensemble of models. Our method utilizes basis adaptation to build low-dimensional polynomial chaos expansions of each model and employs Multi-fidelity Networks to encode the relationships among models. We show that the resulting method exhibit two notable advantages over its counterpart: (1) enhanced accuracy (both reduced bias and variance); and (2) reduced dependency on the graph structure encoding relationships among models. We demonstrate the approach on an analytical test problem and a challenging finite element model for a spent nuclear fuel. Our method produces a surrogate model that is significantly more accurate than either a single-fidelity surrogate or a multi-fidelity surrogate constructed without basis adaptation.

42 ENGINEERING↗