arXiv subjects

D. Thomas Seidl

Publications and source records attributed to D. Thomas Seidl.

15 recordsLinked to original sources

arXiv2026

Mixture of Polyconvex Neural Potentials for Parametric Hyperelasticity: Towards Foundation Material Models

Hyperelastic constitutive models enable modeling large deformations in elastic solids. In common practice, a strain energy density function is prescribed in advance and model-specific parameters are calibrated from experiments. However, many applications require constitutive models for a family of related materials whose mechanical behavior varies with composition. A fixed constitutive model-form may not capture the full range of behavior across the family, while fitting separate forms does not provide a direct way to predict the response of new compositions. Recent work has developed data-driven constitutive models that learn flexible strain energy functions while incorporating key physical constraints. In this work, we propose using mixtures of convex neural potentials based on input convex neural networks as a modular and data efficient approach to modeling material families. Each potential is convex and monotonic with respect to polyconvex strain invariants, while a conditioning network maps material descriptors to mixture weights. We compare the approach with a monolithic partially input-convex neural network using experimental data from PolyJet 3D-printed materials and a synthetic Gent-type benchmark. Across both benchmarks, the mixture architecture generalized better to material descriptors not seen during training. In the PolyJet experimental benchmark, we showed that the mixture architecture is less sensitive to model hyperparameters, while in the Gent-type benchmark it generalized more reliably with sparse data in the material-descriptor space. These results suggest that representing a material family through a small set of shared convex neural potentials provides a useful structural prior for learning descriptor-dependent constitutive behavior from limited data.

physics.comp-ph↗

arXiv2026

Interval and fuzzy physics-augmented neural networks (iPANN and fPANN) for uncertainty quantification and propagation in constitutive modeling

Constitutive modeling under uncertainty remains a central challenge for reliable mechanics simulations, particularly when the available stress-deformation data are sparse, noisy, or heterogeneous. We propose interval and fuzzy physics-augmented neural networks (iPANNs and fPANNs) for uncertainty-aware hyperelastic constitutive modeling. iPANNs learn sparse lower, mean, and upper free energy density branches whose stresses, obtained by automatic differentiation, ultimately enclose noisy stress observations. In contrast to this deterministic interval description, fPANNs embed the learned iPANN branches into a fuzzy-set representation through alpha-cut interpolation, yielding a nested family of admissible responses. iPANNs and fPANNs encode mechanistic constraints - preserving objectivity, consistency and promoting polyconvexity - and smoothed L0 regularization promotes interpretable energy representations. The bound models are trained through a two-stage transfer-learning procedure in which a sparse mean constitutive response is learned first and then fine-tuned into lower and upper energy branches. We evaluate the framework on synthetic isotropic hyperelastic data with heteroscedastic noise, varying random realizations, shifted noise means, and varying noise magnitudes. The results show that the learned bounds enclose noisy stress observations while generalizing to the test set. Further, we examine the propagation of uncertainty through the mean, upper and lower bound predictions of the learned iPANN models in a finite element setting. The proposed framework provides a compact, physics-consistent route for distribution-free aleatoric uncertainty quantification in hyperelastic constitutive modeling, and propagation in downstream finite element simulations.

cs.LG↗

arXiv2026

Full-Field Calibration of Coupled Thermomechanical Material Models at Finite Strain

Calibrating thermomechanical material models from experiments is challenging because deformation, temperature, and force responses are strongly coupled, while measurements are usually restricted to specimen surfaces. We present a full-field calibration framework for coupled finite-strain thermomechanical material models using boundary displacement, reaction-force data, and temperature. The forward model is formulated as a near-incompressible thermo-hyperelastic problem with thermomechanical coupling derived from a Helmholtz free energy, and the inverse problem is posed as a PDE-constrained optimization problem with weighted observation terms for the available data streams. Reduced gradients are computed with adjoint sensitivities that are obtained by automatic differentiation, enabling gradient-based calibration of nonlinear transient thermomechanical systems. The formulation is first verified on synthetic examples involving uniform thermal preconditioning and localized transient rod contact, where the ground-truth parameters are recovered from full-field measurements and force observations. The same workflow is then applied to experimental thermomechanical data by first calibrating a hyperelastic mechanical baseline from cyclic equibiaxial loading and subsequently identifying thermal expansion and directional shrinkage parameters from surface-temperature and boundary-force histories. The results demonstrate that coupled thermomechanical parameters can be inferred from experimentally accessible surface data without requiring volumetric observations.

cs.CE↗

arXiv2026

Multiscale topology optimization of compressible and nearly incompressible anisotropic hyperelastic structures using physics-augmented neural networks

Multiscale topology optimization (TO) of hyperelastic materials remains computationally prohibitive due to the repeated solution of microscale boundary value problems. In this work, we present a concurrent multiscale topology optimization framework that overcomes this limitation by leveraging physics-augmented neural networks (PANNs) as surrogate constitutive models. The proposed approach enables the simultaneous optimization of macroscale material distribution and microscale descriptors, within a unified nonlinear finite strain setting. The surrogate models are constructed using input-specific neural networks (ISNNs) that enforce key physical principles directly within the architecture, including convexity and material symmetry through invariant-based representations and structural tensors. This ensures thermodynamic consistency and numerical stability while accurately representing homogenized anisotropic hyperelastic responses. The trained PANNs replace the microscale boundary value problem and provide efficient evaluations of stresses and consistent tangent moduli using analytical first and second derivatives of the neural network, enabling tractable large-scale multiscale optimization. The framework is demonstrated on representative microstructures exhibiting transversely isotropic, cubic anisotropic, and nearly incompressible isotropic behavior. The results show that the proposed method captures complex multiscale interactions and enables physically meaningful spatial tailoring of material properties, while significantly reducing computational cost compared to classical FE$^2$ approaches. These findings establish PANNs as a powerful tool for high-fidelity multiscale topology optimization of nonlinear anisotropic materials.

cs.CE↗

arXiv2025

A physics-augmented neural network framework for modeling and detecting thermo-visco-plastic behavior

Although considerable attention has been devoted to the development of models for isothermal, rate-independent plasticity, many high-consequence performance assessments involve viscoplastic processes that generate substantial heat. In addition, materials may transit from a nearly isothermal, rate-independent regime to a viscous, temperature-dependent regime during these processes, which makes modeling more challenging. In this work, we develop a physics-augmented neural network (PANN) framework for modeling general temperature-dependent, rate-dependent inelastic processes firmly based on physical principles, including the second law of thermodynamics and coordinate equivariance. These embedded properties are enabled by a number of architectural innovations in the structure and training of an input convex and potential-based neural ordinary differential equation framework. The resulting neural network models are capable of representing a wide spectrum of rate- and temperature-dependence ranging from isothermal, rate-independent elastic-plastic phenomenology to rate-dependent fully viscous inelastic behavior, as we demonstrate. We also show that the framework is capable of modeling complex microstructural inelasticity and predicting the conversion of plastic work to heating when calibrated to stress-temperature observations.

cond-mat.mtrl-sci↗

arXiv2025

A Note on the Reliability of Goal-Oriented Error Estimates for Galerkin Finite Element Methods with Nonlinear Functionals

We consider estimating the discretization error in a nonlinear functional $J(u)$ in the setting of an abstract variational problem: find $u \in \mathcal{V}$ such that $B(u,φ) = L(φ) \; \forall φ\in \mathcal{V}$, as approximated by a Galerkin finite element method. Here, $\mathcal{V}$ is a Hilbert space, $B(\cdot,\cdot)$ is a bilinear form, and $L(\cdot)$ is a linear functional. We consider well-known error estimates $η$ of the form $J(u) - J(u_h) \approx η= L(z) - B(u_h, z)$, where $u_h$ denotes a finite element approximation to $u$, and $z$ denotes the solution to an auxiliary adjoint variational problem. We show that there exist nonlinear functionals for which error estimates of this form are not reliable, even in the presence of an exact adjoint solution solution $z$. An estimate $η$ is said to be reliable if there exists a constant $C \in \mathbb{R}_{>0}$ independent of $u_h$ such that $|J(u) - J(u_h)| \leq C|η|$. We present several example pairs of bilinear forms and nonlinear functionals where reliability of $η$ is not achieved.

math.NA↗

arXiv2025

Thermodynamically Consistent Hybrid and Permutation-Invariant Neural Yield Functions for Anisotropic Plasticity

Plastic anisotropy in metals remains challenging to model. This is partly because conventional phenomenological yield criteria struggle to combine a highly descriptive, flexible representation with constraints, such as convexity, dictated by thermodynamic consistency. To address this gap, we employ architecturally-constrained neural networks and develop two data-driven frameworks: (i) a hybrid model that augments the Hill yield criterion with an Input Convex Neural Network (ICNN) to get an anisotropic yield function representation in the six-dimensional stress space and (ii) a permutation-invariant input convex neural network (PI-ICNN) that learns an isotropic yield function representation in the principal stress space and embeds anisotropy through linear stress transformations. We calibrate the proposed frameworks on a sparse Al-7079 extrusion experimental dataset comprising 12 uniaxial samples with measured yield stresses and Lankford ratios. To test the robustness of each framework, nine datasets were generated using k-fold cross-validation. These datasets were then used to quantitatively compare Hill-48, Yld2004-18p, pure ICNNs, the hybrid approach, and the PI-ICNN frameworks. While ICNNs and hybrid approaches can almost perfectly fit the training data, they exhibit significant over-fitting, resulting in high validation and test losses. In contrast, both PI-ICNN frameworks demonstrate better generalization capabilities, even outperforming Yld2004-18p on the validation and test data. These results demonstrate that PI-ICNNs unify physics-based constraints with the flexibility of neural networks, enabling the accurate prediction of both yield loci and Lankford ratios from minimal data. The approach opens a path toward rapid, thermodynamically consistent constitutive models for advanced forming simulations and future exploration of coupled hardening or microstructure-informed design.

cs.CE↗

arXiv2025

A General, Automated Method for Building Structural Tensors of Arbitrary Order for Anisotropic Function Representations

We present a general, constructive procedure to find the basis for tensors of arbitrary order subject to linear constraints by transforming the problem to that of finding the nullspace of a linear operator. The proposed method utilizes standard numerical linear algebra techniques that are highly optimized and well-behaved. Our primary applications are in mechanics where modulus tensors and so-called structure tensors can be used to characterize anisotropy of functional dependencies on other inputs such as strain. Like modulus tensors, structure tensors are defined by their invariance to transformations by symmetry group generators but have more general applicability. The fully automated method is an alternative to classical, more intuition-reliant methods such as the Pipkin-Rivlin polynomial integrity basis construction. We demonstrate the utility of the procedure by: (a) enumerating elastic modulus tensors for common symmetries, and (b) finding the lowest-order structure tensors that can represent all common point groups/crystal classes. Furthermore, we employ these results in two calibration problems using neural network models following classical function representation theory: (a) learning the symmetry class and orientation of a hyperelastic material given stress-strain data, and (b) representing strain-dependent anisotropy of the stress response of a soft matrix-stiff fiber composite in a sequence of uniaxial loadings. These two examples demonstrate the utility of the method in model selection and calibration by: (a) determining structural tensors of a selected order across multiple symmetry groups, and (b) determining a basis for a given group that allows the characterization of all subgroups. Using a common order in both cases allows sparse regression to operate on a common function representation to select the best-fit symmetry group for the data.

math-ph↗

arXiv2025

Physics Augmented Machine Learning Discovery of Composition-Dependent Constitutive Laws for 3D Printed Digital Materials

Multi-material 3D printing, particularly through polymer jetting, enables the fabrication of digital materials by mixing distinct photopolymers at the micron scale within a single build to create a composite with tunable mechanical properties. This work presents an integrated experimental and computational investigation into the composition-dependent mechanical behavior of 3D printed digital materials. We experimentally characterize five formulations, combining soft and rigid UV-cured polymers under uniaxial tension and torsion across three strain and twist rates. The results reveal nonlinear and rate-dependent responses that strongly depend on composition. To model this behavior, we develop a physics-augmented neural network (PANN) that combines a partially input convex neural network (pICNN) for learning the composition-dependent hyperelastic strain energy function with a quasi-linear viscoelastic (QLV) formulation for time-dependent response. The pICNN ensures convexity with respect to strain invariants while allowing non-convex dependence on composition. To enhance interpretability, we apply $L_0$ sparsification. For the time-dependent response, we introduce a multilayer perceptron (MLP) to predict viscoelastic relaxation parameters from composition. The proposed model accurately captures the nonlinear, rate-dependent behavior of 3D printed digital materials in both uniaxial tension and torsion, achieving high predictive accuracy for interpolated material compositions. This approach provides a scalable framework for automated, composition-aware constitutive model discovery for multi-material 3D printing.

cs.LG↗

arXiv2025

A Direct-adjoint Approach for Material Point Model Calibration with Application to Plasticity

This paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton-Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

cs.CE↗

arXiv2025

A comparative study of calibration techniques for finite strain elastoplasticity: Numerically-exact sensitivities for FEMU and VFM

Accurate identification of material parameters is crucial for predictive modeling in computational mechanics. The two primary approaches in the experimental mechanics' community for calibration from full-field digital image correlation data are known as finite element model updating (FEMU) and the virtual fields method (VFM). In VFM, the objective function is a squared mismatch between internal and external virtual work or power. In FEMU, the objective function quantifies the weighted mismatch between model predictions and corresponding experimentally measured quantities of interest. It is minimized by iteratively updating the parameters of an FE model. While FEMU is seen as more flexible, VFM is commonly used instead of FEMU due to its considerably greater computational expense. However, comparisons between the two methods usually involve approximations of gradients or sensitivities with finite difference schemes, thereby making direct assessments difficult. Hence, in this study, we rigorously compare VFM and FEMU in the context of numerically-exact sensitivities obtained through local sensitivity analyses and the application of automatic differentiation software. To this end, both methods are tested on a finite strain elastoplasticity model. We conduct a series of test cases to assess both methods' robustness under practical challenges.

cs.CE↗

arXiv2025

Input Specific Neural Networks

The black-box nature of neural networks limits the ability to encode or impose specific structural relationships between inputs and outputs. While various studies have introduced architectures that ensure the network's output adheres to a particular form in relation to certain inputs, the majority of these approaches impose constraints on only a single set of inputs. This paper introduces a novel neural network architecture, termed the Input Specific Neural Network (ISNN), which extends this concept by allowing scalar-valued outputs to be subject to multiple constraints. Specifically, the ISNN can enforce convexity in some inputs, non-decreasing monotonicity combined with convexity with respect to others, and simple non-decreasing monotonicity or arbitrary relationships with additional inputs. The paper presents two distinct ISNN architectures, along with equations for the first and second derivatives of the output with respect to the inputs. These networks are broadly applicable. In this work, we restrict their usage to solving problems in computational mechanics. In particular, we show how they can be effectively applied to fitting data-driven constitutive models. We then embed our trained data-driven constitutive laws into a finite element solver where significant time savings can be achieved by using explicit manual differentiation using the derived equations as opposed to automatic differentiation. We also show how ISNNs can be used to learn structural relationships between inputs and outputs via a binary gating mechanism. Particularly, ISNNs are employed to model an anisotropic free energy potential to get the homogenized macroscopic response in a decoupled multiscale setting, where the network learns whether or not the potential should be modeled as polyconvex, and retains only the relevant layers while using the minimum number of inputs.

cs.LG↗

arXiv2024

Polyconvex neural network models of thermoelasticity

Machine-learning function representations such as neural networks have proven to be excellent constructs for constitutive modeling due to their flexibility to represent highly nonlinear data and their ability to incorporate constitutive constraints, which also allows them to generalize well to unseen data. In this work, we extend a polyconvex hyperelastic neural network framework to thermo-hyperelasticity by specifying the thermodynamic and material theoretic requirements for an expansion of the Helmholtz free energy expressed in terms of deformation invariants and temperature. Different formulations which a priori ensure polyconvexity with respect to deformation and concavity with respect to temperature are proposed and discussed. The physics-augmented neural networks are furthermore calibrated with a recently proposed sparsification algorithm that not only aims to fit the training data but also penalizes the number of active parameters, which prevents overfitting in the low data regime and promotes generalization. The performance of the proposed framework is demonstrated on synthetic data, which illustrate the expected thermomechanical phenomena, and existing temperature-dependent uniaxial tension and tension-torsion experimental datasets.

cond-mat.soft↗

arXiv2023

Linearization Errors in Discrete Goal-Oriented Error Estimation

This paper is concerned with goal-oriented a posteriori error estimation for nonlinear functionals in the context of nonlinear variational problems solved with continuous Galerkin finite element discretizations. A two-level, or discrete, adjoint-based approach for error estimation is considered. The traditional method to derive an error estimate in this context requires linearizing both the nonlinear variational form and the nonlinear functional of interest which introduces linearization errors into the error estimate. In this paper, we investigate these linearization errors. In particular, we develop a novel discrete goal-oriented error estimate that accounts for traditionally neglected nonlinear terms at the expense of greater computational cost. We demonstrate how this error estimate can be used to drive mesh adaptivity. We show that accounting for linearization errors in the error estimate can improve its effectivity for several nonlinear model problems and quantities of interest. We also demonstrate that an adaptive strategy based on the newly proposed estimate can lead to more accurate approximations of the nonlinear functional with fewer degrees of freedom when compared to uniform refinement and traditional adjoint-based approaches.

cs.CE↗

arXiv2023

Multilevel Monte Carlo estimators for derivative-free optimization under uncertainty

Optimization is a key tool for scientific and engineering applications, however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations. The cost of OUU is proportional to the cost of performing a forward uncertainty analysis at each design location visited, which makes the computational burden too high for high-fidelity simulations with significant computational cost. From a high-level standpoint, an OUU workflow typically has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. In this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called Multilevel Monte Carlo (MLMC) method. MLMC has the potential of drastically reducing the computational cost by allocating resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our novel approach with respect to the single fidelity counterpart, based on standard Monte Carlo evaluation of statistics.

stat.CO↗