Polyconvex neural-network surrogates with learned paired directional features for anisotropic hyperelastic homogenization
Organizations: Centre Internacional de Mètodes Numèrics en Enginyeria (CIMNE), Barcelona, Spain · Department of Aeronautics and Astronautics, Stanford University, Stanford, CA 94305, USA · Universitat Politècnica de Catalunya, Department of Civil and Environmental Engineering (DECA), Barcelona, Spain · Universitat Politècnica de Catalunya, Departament de Resistència de Materials i Estructures a l’Enginyeria, E.S. d’Enginyeries Industrial, Aeroespacial i Audiovisual de Terrassa (ESEIAAT), Terrassa, Spain
Abstract
Approximating the effective anisotropic hyperelastic response of a representative volume element (RVE) requires constitutive expressiveness, mechanical consistency, and computational efficiency. This work develops a polyconvex physics-augmented neural network (PANN) construction based on paired directional features whose orientations, stretch powers, and determinant exponents adapt to the RVE response. The features are composed with convex, componentwise nondecreasing cores, realized as an input-convex neural network (ICNN) or an input-convex Kolmogorov-Arnold network (ICKAN). The complete energies satisfy objectivity, an exactly stress-free reference, two-dimensional polyconvexity, and prescribed growth conditions by construction, and nonnegative energy is certified separately for the selected models. On a multicavity and a single-cavity periodic cell, these energies are compared with an Unconstrained energy, trained identically without the curvature and growth constraints, and with three hyperreduced projection-based reduced-order models (HPROMs), which serve as physics-based references. On the first cell, learning the features lowers the stress error sevenfold, and six features suffice on both. The constrained energies remain below one percent in stress error and in the displacement error of a tensile-coupon FE application with a full-order reference, whereas the Unconstrained energy and the HPROMs are more accurate inside the data. Beyond the data, however, the Unconstrained energy loses rank-one convexity, and under confined compression it stops below half of the 500 MPa that the constrained energies reach. These results quantify what the guarantees cost in accuracy and what they secure beyond the data.
Figures & tables
| Unconstrained energy | ICNN | ICKAN | |
|---|---|---|---|
| Role | Flexible hyperelastic reference | Guaranteed paired-feature energy | Guaranteed paired-feature energy |
| Inputs | Objective measures from | Paired features (fixed or learned) | Paired features (fixed or learned) |
| Learned scalar map | Smooth energy network | Nonnegative weights, fixed activations | Convex, nondecreasing edge functions |
| (C1)–(C4) | By construction | By construction | By construction |
| (C5)–(C6) | Not imposed | By construction | By construction |
| Model | State representation | Equilibrium unknowns | Integration | Learned component |
|---|---|---|---|---|
| FOM | Full mesh | None | ||
| HPROM | Fixed ECM (residual and stress) | None | ||
| HPROM–ANN | Adaptive ECM (residual and stress) | Secondary coordinates; residual and stress weights | ||
| D-HPROM–ANN | None | Adaptive ECM (stress only) | Same closure and stress weights as HPROM–ANN |
| Model | Stress [%] | Energy [%] | Tangent [%] |
|---|---|---|---|
| ICNN, fixed | 0.3282 | 0.1096 | 1.9247 |
| ICNN, learned | 0.0445 | 0.0079 | 0.3851 |
| ICKAN, fixed | 0.3014 | 0.0943 | 1.7600 |
| ICKAN, learned | 0.0406 | 0.0066 | 0.3622 |
| Unconstrained energy | 0.0073 | 0.0011 | 0.0857 |
| Model | [%] | [%] |
|---|---|---|
| HPROM | 0.0169 | – |
| HPROM–ANN | 0.2177 | – |
| D-HPROM–ANN | 0.0959 | – |
| ICNN | 0.6214 | 0.1929 |
| ICKAN | 0.6359 | 0.1900 |
| Unconstrained energy | 0.0052 | 0.0010 |
| Model | [%] | [%] | [%] | Time [s] | Speed-up |
|---|---|---|---|---|---|
| FOM | – | – | – | 4268.68 | – |
| HPROM | 0.0057 | 0.0165 | 0.0010 | 67.35 | 63.38 |
| HPROM–ANN | 0.0520 | 0.1497 | 0.0373 | 30.14 | 141.61 |
| D-HPROM–ANN | 0.0232 | 0.0485 | 0.0097 | 3.79 | 1126.90 |
| ICNN | 0.4066 | 0.6785 | 0.0739 | 1.04 | 4105.14 |
| ICKAN | 0.4197 | 0.6914 | 0.0732 | 1.95 | 2187.66 |
Appendix figures & tables2 assets
Supplementary material from the paper’s appendix.
Appendix
| Model | Parameters | Stress [%] | Energy [%] | Tangent [%] |
|---|---|---|---|---|
| ICNN, | 975 | 0.0445 | 0.0079 | 0.3851 |
| ICNN, wide | 26 919 | 0.0398 | 0.0069 | 0.2962 |
| ICKAN, | 1 659 | 0.0406 | 0.0066 | 0.3622 |
| ICKAN, wide ∗ | 24 847 | 0.0744 | 0.0104 | 1.8311 |
| Unconstrained, small | 981 | 0.0126 | 0.0019 | 0.1579 |
| Unconstrained | 25 473 | 0.0073 | 0.0011 | 0.0857 |
| Model | Parameters | [%] | [%] |
|---|---|---|---|
| ICNN, | 975 | 0.6214 | 0.4066 |
| ICNN, wide | 26 919 | 0.6066 | 0.4162 |
| ICNN, | 2 379 | 0.5370 | 0.3433 |
| ICKAN, | 1 659 | 0.6359 | 0.4197 |
| ICKAN, wide | 24 847 | 0.6540 | 0.4322 |
| ICKAN, | 3 999 | 0.6177 | 0.3469 |
Neural Surrogate Modeling
Neural surrogate modeling uses learned models to approximate costly simulations, enabling faster prediction, design, control, and inference.
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