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Kurt Maute

Publications and source records attributed to Kurt Maute.

At least 19 recordsLinked to original sources
arXiv2026

Learning Gradient Flow: Using Equation Discovery to Accelerate Engineering Optimization

In this work, we investigate the use of data-driven equation discovery for dynamical systems to model and forecast continuous-time dynamics of unconstrained optimization problems. To avoid expensive evaluations of the objective function and its gradient, we leverage trajectory data on the optimization variables to learn the continuous-time dynamics associated with gradient descent, Newton's method, and ADAM optimization. The discovered gradient flows are then solved as a surrogate for the original optimization problem. To this end, we introduce the Learned Gradient Flow (LGF) optimizer, which is equipped to build surrogate models of variable polynomial order in full- or reduced-dimensional spaces at user-defined intervals in the optimization process. We demonstrate the efficacy of this approach on several standard problems from engineering mechanics and scientific machine learning, including two inverse problems, structural topology optimization, and two forward solves with different discretizations. Our results suggest that the learned gradient flows can significantly expedite convergence by capturing critical features of the optimization trajectory while avoiding expensive evaluations of the objective and its gradient.

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arXiv2025

Boundary condition enforcement with PINNs: a comparative study and verification on 3D geometries

Since their advent nearly a decade ago, physics-informed neural networks (PINNs) have been studied extensively as a novel technique for solving forward and inverse problems in physics and engineering. The neural network discretization of the solution field is naturally adaptive and avoids meshing the computational domain, which can both improve the accuracy of the numerical solution and streamline implementation. However, there have been limited studies of PINNs on complex three-dimensional geometries, as the lack of mesh and the reliance on the strong form of the partial differential equation (PDE) make boundary condition (BC) enforcement challenging. Techniques to enforce BCs with PINNs have proliferated in the literature, but a comprehensive side-by-side comparison of these techniques and a study of their efficacy on geometrically complex three-dimensional test problems are lacking. In this work, we i) systematically compare BC enforcement techniques for PINNs, ii) propose a general solution framework for arbitrary three-dimensional geometries, and iii) verify the methodology on three-dimensional, linear and nonlinear test problems with combinations of Dirichlet, Neumann, and Robin boundaries. Our approach is agnostic to the underlying PDE, the geometry of the computational domain, and the nature of the BCs, while requiring minimal hyperparameter tuning. This work represents a step in the direction of establishing PINNs as a mature numerical method, capable of competing head-to-head with incumbents such as the finite element method.

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arXiv2025

Solving engineering eigenvalue problems with neural networks using the Rayleigh quotient

From characterizing the speed of a thermal system's response to computing natural modes of vibration, eigenvalue analysis is ubiquitous in engineering. In spite of this, eigenvalue problems have received relatively little treatment compared to standard forward and inverse problems in the physics-informed machine learning literature. In particular, neural network discretizations of solutions to eigenvalue problems have seen only a handful of studies. Owing to their nonlinearity, neural network discretizations prevent the conversion of the continuous eigenvalue differential equation into a standard discrete eigenvalue problem. In this setting, eigenvalue analysis requires more specialized techniques. Using a neural network discretization of the eigenfunction, we show that a variational form of the eigenvalue problem called the "Rayleigh quotient" in tandem with a Gram-Schmidt orthogonalization procedure is a particularly simple and robust approach to find the eigenvalues and their corresponding eigenfunctions. This method is shown to be useful for finding sets of harmonic functions on irregular domains, parametric and nonlinear eigenproblems, and high-dimensional eigenanalysis. We also discuss the utility of harmonic functions as a spectral basis for approximating solutions to partial differential equations. Through various examples from engineering mechanics, the combination of the Rayleigh quotient objective, Gram-Schmidt procedure, and the neural network discretization of the eigenfunction is shown to offer unique advantages for handling continuous eigenvalue problems.

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arXiv2025

Physics-informed solution reconstruction in elasticity and heat transfer using the explicit constraint force method

One use case of ``physics-informed neural networks'' (PINNs) is solution reconstruction, which aims to estimate the full-field state of a physical system from sparse measurements. Parameterized governing equations of the system are used in tandem with the measurements to regularize the regression problem. However, in real-world solution reconstruction problems, the parameterized governing equation may be inconsistent with the physical phenomena that give rise to the measurement data. We show that due to assuming consistency between the true and parameterized physics, PINNs-based approaches may fail to satisfy three basic criteria of interpretability, robustness, and data consistency. As we argue, these criteria ensure that (i) the quality of the reconstruction can be assessed, (ii) the reconstruction does not depend strongly on the choice of physics loss, and (iii) that in certain situations, the physics parameters can be uniquely recovered. In the context of elasticity and heat transfer, we demonstrate how standard formulations of the physics loss and techniques for constraining the solution to respect the measurement data lead to different ``constraint forces" -- which we define as additional source terms arising from the constraints -- and that these constraint forces can significantly influence the reconstructed solution. To avoid the potentially substantial influence of the choice of physics loss and method of constraint enforcement on the reconstructed solution, we propose the ``explicit constraint force method'' (ECFM) to gain control of the source term introduced by the constraint. We then show that by satisfying the criteria of interpretability, robustness, and data consistency, this approach leads to more predictable and customizable reconstructions from noisy measurement data, even when the parameterization of the missing physics is inconsistent with the measured system.

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arXiv2025

Enriched Immersed Finite Element and Isogeometric Analysis -- Algorithms and Data Structures

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their implementation remains a major challenge due to, among other things, the need to apply nontrivial stabilization schemes and generate custom quadrature rules. This article introduces the robust and computationally efficient algorithms and data structures comprising an immersed finite element preprocessing framework. The input to the preprocessor consists of a background mesh and one or more geometries defined on its domain. The output is structured into groups of elements with custom quadrature rules formatted such that common finite element assembly routines may be used without or with only minimal modifications. The key to the preprocessing framework is the construction of material topology information, concurrently with the generation of a quadrature rule, which is then used to perform enrichment and generate stabilization rules. While the algorithmic framework applies to a wide range of immersed finite element methods using different types of meshes, integration, and stabilization schemes, the preprocessor is presented within the context of the extended isogeometric analysis. This method utilizes a structured B-spline mesh, a generalized Heaviside enrichment strategy considering the material layout within individual basis functions$'$ supports, and face-oriented ghost stabilization. Using a set of examples, the effectiveness of the enrichment and stabilization strategies is demonstrated alongside the preprocessor$'$s robustness in geometric edge cases. Additionally, the performance and parallel scalability of the implementation are evaluated.

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arXiv2024

Constrained or Unconstrained? Neural-Network-Based Equation Discovery from Data

Throughout many fields, practitioners often rely on differential equations to model systems. Yet, for many applications, the theoretical derivation of such equations and/or accurate resolution of their solutions may be intractable. Instead, recently developed methods, including those based on parameter estimation, operator subset selection, and neural networks, allow for the data-driven discovery of both ordinary and partial differential equations (PDEs), on a spectrum of interpretability. The success of these strategies is often contingent upon the correct identification of representative equations from noisy observations of state variables and, as importantly and intertwined with that, the mathematical strategies utilized to enforce those equations. Specifically, the latter has been commonly addressed via unconstrained optimization strategies. Representing the PDE as a neural network, we propose to discover the PDE by solving a constrained optimization problem and using an intermediate state representation similar to a Physics-Informed Neural Network (PINN). The objective function of this constrained optimization problem promotes matching the data, while the constraints require that the PDE is satisfied at several spatial collocation points. We present a penalty method and a widely used trust-region barrier method to solve this constrained optimization problem, and we compare these methods on numerical examples. Our results on the Burgers' and the Korteweg-De Vreis equations demonstrate that the latter constrained method outperforms the penalty method, particularly for higher noise levels or fewer collocation points. For both methods, we solve these discovered neural network PDEs with classical methods, such as finite difference methods, as opposed to PINNs-type methods relying on automatic differentiation. We briefly highlight other small, yet crucial, implementation details.

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arXiv2024

Interpolation-based immersogeometric analysis methods for multi-material and multi-physics problems

Immersed boundary methods are high-order accurate computational tools used to model geometrically complex problems in computational mechanics. While traditional finite element methods require the construction of high-quality boundary-fitted meshes, immersed boundary methods instead embed the computational domain in a background grid. Interpolation-based immersed boundary methods augment existing finite element software to non-invasively implement immersed boundary capabilities through extraction. Extraction interpolates the background basis as a linear combination of Lagrange polynomials defined on a foreground mesh, creating an interpolated basis that can be easily integrated by existing methods. This work extends the interpolation-based immersed boundary method to multi-material and multi-physics problems. Beginning from level-set descriptions of domain geometries, Heaviside enrichment is implemented to accommodate discontinuities in state variable fields across material interfaces. Adaptive refinement with truncated hierarchical B-splines is used to both improve interface geometry representations and resolve large solution gradients near interfaces. Multi-physics problems typically involve coupled fields where each field has unique discretization requirements. This work presents a novel discretization method for coupled problems through the application of extraction, using a single foreground mesh for all fields. Numerical examples illustrate optimal convergence rates for this method in both 2D and 3D, for heat conduction, linear elasticity, and a coupled thermo-mechanical problem. The utility of this method is demonstrated through image-based analysis of a composite sample, where in addition to circumventing typical meshing difficulties, this method reduces the required degrees of freedom compared to classical boundary-fitted finite element methods.

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arXiv2022

Extended isogeometric analysis of multi-material and multi-physics problems using hierarchical B-splines

This paper presents an immersed, isogeometric finite element framework to predict the response of multi-material, multi-physics problems with complex geometries using locally refined discretizations. To circumvent the need to generate conformal meshes, this work uses an eXtended Finite Element Method (XFEM) to discretize the governing equations on non-conforming, embedding meshes. A flexible approach to create truncated hierarchical B-splines discretizations is presented. This approach enables the refinement of each state variable field individually to meet field-specific accuracy requirements. To obtain an immersed geometry representation that is consistent across all hierarchically refined B-spline discretizations, the geometry is immersed into a single mesh, the XFEM background mesh, which is constructed from the union of all hierarchical B-spline meshes. An extraction operator is introduced to represent the truncated hierarchical B-spline bases in terms of Lagrange shape functions on the XFEM background mesh without loss of accuracy. The truncated hierarchical B-spline bases are enriched using a generalized Heaviside enrichment strategy to accommodate small geometric features and multi-material problems. The governing equations are augmented by a formulation of the face-oriented ghost stabilization enhanced for locally refined B-spline bases. We present examples for two- and three-dimensional linear elastic and thermo-elastic problems. The numerical results validate the accuracy of our framework. The results also demonstrate the applicability of the proposed framework to large, geometrically complex problems.

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arXiv2022

Interpolation-based immersed finite element and isogeometric analysis

We introduce a new paradigm for immersed finite element and isogeometric methods based on interpolating function spaces from an unfitted background mesh into Lagrange finite element spaces defined on a foreground mesh that captures the domain geometry but is otherwise subject to minimal constraints on element quality or connectivity. This is a generalization of the concept of Lagrange extraction from the isogeometric analysis literature and also related to certain variants of the finite cell and material point methods. Crucially, the interpolation may be approximate without sacrificing high-order convergence rates, which distinguishes the present method from existing finite cell, CutFEM, and immersogeometric approaches. The interpolation paradigm also permits non-invasive reuse of existing finite element software for immersed analysis. We analyze the properties of the interpolation-based immersed paradigm for a model problem and implement it on top of the open-source FEniCS finite element software, to apply it to a variety of problems in fluid, solid, and structural mechanics where we demonstrate high-order accuracy and applicability to practical geometries like trimmed spline patches.

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arXiv2022

Automated processing of X-ray computed tomography images via panoptic segmentation for modeling woven composite textiles

A new, machine learning-based approach for automatically generating 3D digital geometries of woven composite textiles is proposed to overcome the limitations of existing analytical descriptions and segmentation methods. In this approach, panoptic segmentation is leveraged to produce instance segmented semantic masks from X-ray computed tomography (CT) images. This effort represents the first deep learning based automated process for segmenting unique yarn instances in a woven composite textile. Furthermore, it improves on existing methods by providing instance-level segmentation on low contrast CT datasets. Frame-to-frame instance tracking is accomplished via an intersection-over-union (IoU) approach adopted from video panoptic segmentation for assembling a 3D geometric model. A corrective recognition algorithm is developed to improve the recognition quality (RQ). The panoptic quality (PQ) metric is adopted to provide a new universal evaluation metric for reconstructed woven composite textiles. It is found that the panoptic segmentation network generalizes well to new CT images that are similar to the training set but does not extrapolate well to CT images of differing geometry, texture, and contrast. The utility of this approach is demonstrated by capturing yarn flow directions, contact regions between individual yarns, and the spatially varying cross-sectional areas of the yarns.

cs.CV↗
arXiv2021

Topology Optimization under Microscale Uncertainty using Stochastic Gradients

This paper considers the design of structures made of engineered materials, accounting for uncertainty in material properties. We present a topology optimization approach that optimizes the structural shape and topology at the macroscale assuming design-independent uncertain microstructures. The structural geometry at the macroscale is described by an explicit level set approach, and the macroscopic structural response is predicted by the eXtended Finite Element Method (XFEM). We describe the microscopic layout by either an analytic geometric model with uncertain parameters or a level cut from a Gaussian random field. The macroscale properties of the microstructured material are predicted by homogenization. Considering the large number of possible microscale configurations, one of the main challenges of solving such topology optimization problems is the computational cost of estimating the statistical moments of the cost and constraint functions and their gradients with respect to the design variables. Methods for predicting these moments, such as Monte Carlo sampling, and Taylor series and polynomial chaos expansions often require many random samples resulting in an impractical computation. To reduce this cost, we propose an approach wherein, at every design iteration, we only use a small number of microstructure configurations to generate an independent, stochastic approximation of the gradients. These gradients are then used either with a gradient descent algorithm, namely Adam, or the globally convergent method of moving asymptotes (GCMMA). Three numerical examples from structural mechanics are used to show that the proposed approach provides a computationally efficient way for macroscale topology optimization in the presence of microstructural uncertainty and enables the designers to consider a new class of problems that are out of reach today with conventional tools.

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arXiv2021

Reliability-based Topology Optimization using Stochastic Gradients

This paper addresses the computational challenges in reliability-based topology optimization (RBTO) of structures associated with the estimation of statistics of the objective and constraints using standard sampling methods, and overcomes the accuracy issues of traditional methods that rely on approximating the limit state function. Herein, we present a stochastic gradient-based approach, where we estimate the probability of failure at every few iterations using an efficient sampling strategy. To estimate the gradients of the failure probability with respect to the design parameters, we apply Bayes' rule wherein we assume a parametric exponential model for the probability density function of the design parameters conditioned on the failure. The design parameters as well as the parameters of this probability density function are updated using a stochastic gradient descent approach requiring only a small, e.g., O(1), number of random samples per iteration, thus leading to a considerable reduction of the computational cost as compared to standard RBTO techniques. We illustrate the proposed approach with a benchmark example that has an analytical solution as well as two widely used problems in structural topology optimization. These examples illustrate the efficacy of the approach in producing reliable designs.

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arXiv2021

Minimum Feature Size Control in Level Set Topology Optimization via Density Fields

A level set topology optimization approach that uses an auxiliary density field to nucleate holes during the optimization process and achieves minimum feature size control in optimized designs is explored. The level set field determines the solid-void interface, and the density field describes the distribution of a fictitious porous material using the solid isotropic material with penalization. These fields are governed by two sets of independent optimization variables which are initially coupled using a penalty for hole nucleation. The strength of the density field penalization and projection are gradually increased through the optimization process to promote a 0-1 density distribution. This treatment of the density field combined with a second penalty that regulates the evolution of the density field in the void phase, mitigate the appearance of small design features. The minimum feature size of optimized designs is controlled by the radius of the linear filter applied to the density optimization variables. The structural response is predicted by the extended finite element method, the sensitivities by the adjoint method, and the optimization variables are updated by a gradient-based optimization algorithm. Numerical examples investigate the robustness of this approach with respect to algorithmic parameters and mesh refinement. The results show the applicability of the combined density level set topology optimization approach for both optimal hole nucleation and for minimum feature size control in 2D and 3D. This comes, however, at the cost of a more advanced problem formulation and additional computational cost due to an increased number of optimization variables.

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arXiv2020

Ambiguous phase assignment of discretized 3D geometries in topology optimization

Level set-based immersed boundary techniques operate on nonconforming meshes while providing a crisp definition of interface and external boundaries. In such techniques, an isocontour of a level set field interpolated from nodal level set values defines a problem's geometry. If the interface is explicitly tracked, the intersected elements are typically divided into sub-elements to which a phase needs to be assigned. Due to loss of information in the discretization of the level set field, certain geometrical configurations allow for ambiguous phase assignment of sub-elements, and thus ambiguous definition of the interface. The study presented here focuses on analyzing these topological ambiguities in embedded geometries constructed from discretized level set fields on hexahedral meshes. The analysis is performed on three-dimensional problems where several intersection configurations can significantly affect the problem's topology. This is in contrast to two-dimensional problems where ambiguous topological features exist only in one intersection configuration and identifying and resolving them is straightforward. A set of rules that resolve these ambiguities for two-phase problems is proposed, and algorithms for their implementations are provided. The influence of these rules on the evolution of the geometry in the optimization process is investigated with linear elastic topology optimization problems. These problems are solved by an explicit level set topology optimization framework that uses the extended finite element method to predict physical responses. This study shows that the choice of a rule to resolve topological features can result in drastically different final geometries. However, for the problems studied in this paper, the performances of the optimized design do not differ.

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arXiv2019

Bi-fidelity Stochastic Gradient Descent for Structural Optimization under Uncertainty

The presence of uncertainty in material properties and geometry of a structure is ubiquitous. The design of robust engineering structures, therefore, needs to incorporate uncertainty in the optimization process. Stochastic gradient descent (SGD) method can alleviate the cost of optimization under uncertainty, which includes statistical moments of quantities of interest in the objective and constraints. However, the design may change considerably during the initial iterations of the optimization process which impedes the convergence of the traditional SGD method and its variants. In this paper, we present two SGD based algorithms, where the computational cost is reduced by employing a low-fidelity model in the optimization process. In the first algorithm, most of the stochastic gradient calculations are performed on the low-fidelity model and only a handful of gradients from the high-fidelity model are used per iteration, resulting in an improved convergence. In the second algorithm, we use gradients from low-fidelity models to be used as control variate, a variance reduction technique, to reduce the variance in the search direction. These two bi-fidelity algorithms are illustrated first with a conceptual example. Then, the convergence of the proposed bi-fidelity algorithms is studied with two numerical examples of shape and topology optimization and compared to popular variants of the SGD method that do not use low-fidelity models. The results show that the proposed use of a bi-fidelity approach for the SGD method can improve the convergence. Two analytical proofs are also provided that show the linear convergence of these two algorithms under appropriate assumptions.

math.OC↗
arXiv2019

Hole Seeding in Level Set Topology Optimization via Density Fields

Two approaches that use a density field for seeding holes in level set topology optimization are proposed. In these approaches, the level set field describes the material-void interface while the density field describes the material distribution within the material phase. Both fields are optimized simultaneously by coupling them through either a single abstract design variable field or a penalty term introduced into the objective function. These approaches eliminate drawbacks of level set topology optimization methods that rely on seeding the initial design domain with a large number of holes. Instead, the proposed approaches insert holes during the optimization process where beneficial. The dependency of the optimization results on the initial hole pattern is reduced, and the computational costs are lowered by keeping the number of elements intersected by the material interface at a minimum. In comparison to level set methods that use topological derivatives to seed small holes at distinct steps in the optimization process, the proposed approaches introduce holes continuously during the optimization process, with the hole size and shape being optimized for the particular design problem. The proposed approaches are studied using the extended finite element method for spatial discretization, and the solid isotropic material with penalization for material interpolation using fictitious densities. Their robustness with respect to algorithmic parameters, dependency on the density penalization, and performance are examined through 2D and 3D benchmark linear elastic numerical examples, and a geometrically complex mass minimization with stress constraint design problem.

math.OC↗
arXiv2019

Topology Optimization under Uncertainty using a Stochastic Gradient-based Approach

Topology optimization under uncertainty (TOuU) often defines objectives and constraints by statistical moments of geometric and physical quantities of interest. Most traditional TOuU methods use gradient-based optimization algorithms and rely on accurate estimates of the statistical moments and their gradients, e.g., via adjoint calculations. When the number of uncertain inputs is large or the quantities of interest exhibit large variability, a large number of adjoint (and/or forward) solves may be required to ensure the accuracy of these gradients. The optimization procedure itself often requires a large number of iterations, which may render TOuU computationally expensive, if not infeasible. To tackle this difficulty, we here propose an optimization approach that generates a stochastic approximation of the objective, constraints, and their gradients via a small number of adjoint (and/or forward) solves, per iteration. A statistically independent (stochastic) approximation of these quantities is generated at each optimization iteration. The total cost of this approach is only a small factor larger than that of the corresponding deterministic TO problem. We incorporate the stochastic approximation of objective, constraints and their design sensitivities into two classes of optimization algorithms. First, we investigate the stochastic gradient descent (SGD) method and a number of its variants, which have been successfully applied to large-scale optimization problems for machine learning. Second, we study the use of the proposed stochastic approximation approach within conventional nonlinear programming methods, focusing on the Globally Convergent Method of Moving Asymptotes (GCMMA). The performance of these algorithms is investigated with structural design optimization problems utilizing a Solid Isotropic Material with Penalization (SIMP), as well as an explicit level set method.

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arXiv2017

CutFEM topology optimization of 3D laminar incompressible flow problems

This paper studies the characteristics and applicability of the CutFEM approach as the core of a robust topology optimization framework for 3D laminar incompressible flow and species transport problems at low Reynolds number (Re < 200). CutFEM is a methodology for discretizing partial differential equations on complex geometries by immersed boundary techniques. In this study, the geometry of the fluid domain is described by an explicit level set method, where the parameters of a level set function are defined as functions of the optimization variables. The fluid behavior is modeled by the incompressible Navier-Stokes equations. Species transport is modeled by an advection-diffusion equation. The governing equations are discretized in space by a generalized extended finite element method. Face-oriented ghost-penalty terms are added for stability reasons and to improve the conditioning of the system. The boundary conditions are enforced weakly via Nit\-sc\-he's method. The emergence of isolated volumes of fluid surrounded by solid during the optimization process leads to a singular analysis problem. An auxiliary indicator field is modeled to identify these volumes and to impose a constraint on the average pressure. Numerical results for 3D, steady-state and transient problems demonstrate that the CutFEM analyses are sufficiently accurate, and the optimized designs agree well with results from prior studies solved in 2D or by density approaches.

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