skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Physics‐constrained symbolic model discovery for polyconvex incompressible hyperelastic materials
Abstract We present a machine learning framework capable of consistently inferring mathematical expressions of hyperelastic energy functionals for incompressible materials from sparse experimental data and physical laws. To achieve this goal, we propose a polyconvex neural additive model (PNAM) that enables us to express the hyperelastic model in a learnable feature space while enforcing polyconvexity. An upshot of this feature space obtained via the PNAM is that (1) it is spanned by a set of univariate basis functions that can be re‐parametrized with a more complex mathematical form, and (2) the resultant elasticity model is guaranteed to fulfill the polyconvexity, which ensures that the acoustic tensor remains elliptic for any deformation. To further improve the interpretability, we use genetic programming to convert each univariate basis into a compact mathematical expression. The resultant multi‐variable mathematical models obtained from this proposed framework are not only more interpretable but are also proven to fulfill physical laws. By controlling the compactness of the learned symbolic form, the machine learning‐generated mathematical model also requires fewer arithmetic operations than its deep neural network counterparts during deployment. This latter attribute is crucial for scaling large‐scale simulations where the constitutive responses of every integration point must be updated within each incremental time step. We compare our proposed model discovery framework against other state‐of‐the‐art alternatives to assess the robustness and efficiency of the training algorithms and examine the trade‐off between interpretability, accuracy, and precision of the learned symbolic hyperelastic models obtained from different approaches. Our numerical results suggest that our approach extrapolates well outside the training data regime due to the precise incorporation of physics‐based knowledge.  more » « less
Award ID(s):
1846875
PAR ID:
10574878
Author(s) / Creator(s):
;
Editor(s):
Farhat, C
Publisher / Repository:
Wiley
Date Published:
Journal Name:
International Journal for Numerical Methods in Engineering
Volume:
125
Issue:
15
ISSN:
0029-5981
Subject(s) / Keyword(s):
hyperelasticity interpretable model polyconvex neural additive model symbolic regression
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    Conventionally, neural network constitutive laws for path-dependent elasto-plastic solids are trained via supervised learning performed on recurrent neural network, with the time history of strain as input and the stress as input. However, training neural network to replicate path-dependent constitutive responses require significant more amount of data due to the path dependence. This demand on diverse and abundance of accurate data, as well as the lack of interpretability to guide the data generation process, could become major roadblocks for engineering applications. In this work, we attempt to simplify these training processes and improve the interpretability of the trained models by breaking down the training of material models into multiple supervised machine learning programs for elasticity, initial yielding and hardening laws that can be conducted sequentially. To predict pressure-sensitivity and rate dependence of the plastic responses, we reformulate the Hamliton-Jacobi equation such that the yield function is parametrized in the product space spanned by the principle stress, the accumulated plastic strain and time. To test the versatility of the neural network meta-modeling framework, we conduct multiple numerical experiments where neural networks are trained and validated against (1) data generated from known benchmark models, (2) data obtained from physical experiments and (3) data inferred from homogenizing sub-scale direct numerical simulations of microstructures. The neural network model is also incorporated into an offline FFT-FEM model to improve the efficiency of the multiscale calculations. 
    more » « less
  2. In this paper, we present a generalized, data-driven collisional operator for one-component plasmas, learned from molecular dynamics simulations, to extend the collisional kinetic model beyond the weakly coupled regime. The proposed operator features an anisotropic, non-stationary collision kernel that accounts for particle correlations typically neglected in classical Landau formulations. To enable efficient numerical evaluation, we develop a fast spectral separation method that represents the kernel as a low-rank tensor product of univariate basis functions. This formulation admits an O(N log N) algorithm via fast Fourier transforms and preserves key physical properties, including discrete conservation laws and the H-theorem, through a structure-preserving central difference discretization. Numerical experiments demonstrate that the proposed model accurately captures plasma dynamics in the moderately coupled regime beyond the standard Landau model while maintaining high computational efficiency and structure-preserving properties. 
    more » « less
  3. One approach for interpreting black-box machine learning models is to find a global approximation of the model using simple interpretable functions, which is called a metamodel (a model of the model). Approximating the black-box witha metamodel can be used to 1) estimate instance-wise feature importance; 2) understand the functional form of the model; 3) analyze feature interactions. In this work, we propose a new method for finding interpretable metamodels. Our approach utilizes Kolmogorov superposition theorem, which expresses multivariate functions as a composition of univariate functions (our primitive parameterizedfunctions). This composition can be represented in the form of a tree. Inspired by symbolic regression, we use a modified form of genetic programming to search over different tree configurations. Gradient descent (GD) is used to optimize the parameters of a given configuration. Our method is a novel memetic algorithm that uses GD not only for training numerical constants but also for the trainingof building blocks. Using several experiments, we show that our method outperforms recent metamodeling approaches suggested for interpreting black-boxes. 
    more » « less
  4. Training machine learning (ML) models for scientific problems is often challenging due to limited observation data. To overcome this challenge, prior works commonly pre-train ML models using simulated data before having them fine-tuned with small real data. Despite the promise shown in initial research across different domains, these methods cannot ensure improved performance after fine-tuning because (i) they are not designed for extracting generalizable physics-aware features during pre-training, (ii) the features learned from pre-training can be distorted by the fine-tuning process. In this paper, we propose a new learning method for extracting, preserving, and adapting physics-aware features. We build a knowledge-guided neural network (KGNN) model based on known dependencies amongst physical variables, which facilitate extracting physics-aware feature representation from simulated data. Then we fine-tune this model by alternately updating the encoder and decoder of the KGNN model to enhance the prediction while preserving the physics-aware features learned through pre-training. We further propose to adapt the model to new testing scenarios via a teacher-student learning framework based on the model uncertainty. The results demonstrate that the proposed method outperforms many baselines by a good margin, even using sparse training data or under out-of-sample testing scenarios. 
    more » « less
  5. Training machine learning (ML) models for scientific problems is often challenging due to limited observation data. To overcome this challenge, prior works commonly pre-train ML models using simulated data before having them fine-tuned with small real data. Despite the promise shown in initial research across different domains, these methods cannot ensure improved performance after fine-tuning because (i) they are not designed for extracting generalizable physics-aware features during pre-training, (ii) the features learned from pre-training can be distorted by the fine-tuning process. In this paper, we propose a new learning method for extracting, preserving, and adapting physics-aware features. We build a knowledge-guided neural network (KGNN) model based on known dependencies amongst physical variables, which facilitate extracting physics-aware feature representation from simulated data. Then we fine-tune this model by alternately updating the encoder and decoder of the KGNN model to enhance the prediction while preserving the physics-aware features learned through pre-training. We further propose to adapt the model to new testing scenarios via a teacher-student learning framework based on the model uncertainty. The results demonstrate that the proposed method outperforms many baselines by a good margin, even using sparse training data or under out-of-sample testing scenarios. 
    more » « less