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Equation Discovery Using Fast Function Extraction: a Deterministic Symbolic Regression Approach

Advances in machine learning (ML) coupled with increased computational power have enabled identification of patterns in data extracted from complex systems. ML algorithms are actively being sought in recovering physical models or mathematical equations from data. This is a highly valuable technique where models cannot be built using physical reasoning alone. In this paper, we investigate the application of fast function extraction (FFX), a fast, scalable, deterministic symbolic regression algorithm to recover partial differential equations (PDEs). FFX identifies active bases among a huge set of candidate basis functions and their corresponding coefficients from recorded snapshot data. This approach uses a sparsity-promoting technique from compressive sensing and sparse optimization called pathwise regularized learning to perform feature selection and parameter estimation. Furthermore, it recovers several models of varying complexity (number of basis terms). FFX finally filters out many identified models using non-dominated sorting and forms a Pareto front consisting of optimal models with respect to minimizing complexity and test accuracy. Numerical experiments are carried out to recover several ubiquitous PDEs such as wave and heat equations among linear PDEs and Burgers, Korteweg–de Vries (KdV), and Kawahara equations among higher-order nonlinear PDEs. Additional simulations are conducted on the same PDEs under noisy conditions to test the robustness of the proposed approach.

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Deterministic symbolic regression with derivative information: General methodology and application to equations of state

Symbolic regression methods simultaneously determine the model functional form and the regression parameter values by generating expression trees. Symbolic regression can capture the complexity of real–world phenomena but the use of deterministic optimization for symbolic regression has been limited due to the complexity of the search space of existing formulations. Herein we present a novel deterministic mixed–integer nonlinear programming formulation for symbolic regression that incorporates derivative constraints through auxiliary expression trees. By applying the chain rule to mathematical operations, binary expression trees are capable of representing the calculation of first and second derivatives. We apply this formulation to illustrative examples using derivative information to show increased model discrimination capability. In addition, we perform a case study of a thermodynamic equation of state to gain insight on valid functional forms with thermodynamics–based constraints on the first and second derivatives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of a Bayesian Framework for Plasticity Model Selection

Interpretable Machine Learning (IML) has performed well when tasked with deriving constitutive material models. However, IML has been shown to prefer models that overfit noise in data, which tends to lead to bloat and a decrease in interpretability. Due to these issues, the ability of IML to reliably derive models that fit the data and are both interpretable and generalizable is limited. A method developed recently has shown promise to improve upon traditional IML by using a Bayesian fitness definition for the evolution of free-form models with non-deterministic parameters. This framework was developed for genetic-programming-based symbolic regression(GPSR) and involves model parameter estimation using Sequential Monte Carlo sampling (SMC).The method has demonstrated a reduction in bloat when dealing with noisy data in comparison to conventional GPSR. The results of this framework applied to stress-strain data for copper show models that more effectively predict the experimental data better than was previously shown with GPSR.

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