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1. Fractional rheology-informed neural networks for data-driven identification of viscoelastic constitutive models

   https://doi.org/10.1007/s00397-023-01408-w  

   Dabiri, Donya ; Saadat, Milad ; Mangal, Deepak ; Jamali, Safa ( August 2023 , Rheologica Acta)

   Developing constitutive models that can describe a complex fluid’s response to an applied stimulus has been one of the critical pursuits of rheologists. The complexity of the models typically goes hand-in-hand with that of the observed behaviors and can quickly become prohibitive depending on the choice of materials and/or flow protocols. Therefore, reducing the number of fitting parameters by seeking compact representations of those constitutive models can obviate extra experimentation to confine the parameter space. To this end, fractional derivatives in which the differential response of matter accepts non-integer orders have shown promise. Here, we develop neural networks that are informed by a series of different fractional constitutive models. These fractional rheology-informed neural networks (RhINNs) are then used to recover the relevant parameters (fractional derivative orders) of three fractional viscoelastic constitutive models, i.e., fractional Maxwell, Kelvin-Voigt, and Zener models. We find that for all three studied models, RhINNs recover the observed behavior accurately, although in some cases, the fractional derivative order is recovered with significant deviations from what is known as ground truth. This suggests that extra fractional elements are redundant when the material response is relatively simple. Therefore, choosing a fractional constitutive model for a given material response is contingent upon the response complexity, as fractional elements embody a wide range of transient material behaviors.

    

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2. Digital rheometer twins: Learning the hidden rheology of complex fluids through rheology-informed graph neural networks

   https://doi.org/10.1073/pnas.2202234119  

   Mahmoudabadbozchelou, Mohammadamin ; Kamani, Krutarth M. ; Rogers, Simon A. ; Jamali, Safa ( May 2022 , Proceedings of the National Academy of Sciences)

   Precise and reliable prediction of soft and structured materials’ behavior under flowing conditions is of great interest to academics and industrial researchers alike. The classical route to achieving this goal is to construct constitutive relations that, through simplifying assumptions, approximate the time- and rate-dependent stress response of a complex fluid to an imposed deformation. The parameters of these simplified models are then identified by suitable rheological testing. The accuracy of each model is limited by the assumptions made in its construction, and, to a lesser extent, the ability to determine numerical values of parameters from the experimental data. In this work, we leverage advances in machine learning methodologies to construct rheology-informed graph neural networks (RhiGNets) that are capable of learning the hidden rheology of a complex fluid through a limited number of experiments. A multifidelity approach is then taken to combine limited additional experimental data with the RhiGNet predictions to develop “digital rheometers” that can be used in place of a physical instrument. 

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3. Two-Stage Approach to Parameter Estimation of Differential Equations Using Neural ODEs

   https://doi.org/10.1021/acs.iecr.1c00552  

   Bradley, William ; Boukouvala, Fani ( November 2021 , Industrial engineering chemistry research)

   Modeling physiochemical relationships using dynamic data is a common task in fields throughout science and engineering. A common step in developing generalizable, mechanistic models is to fit unmeasured parameters to measured data. However, fitting differential equation-based models can be computation-intensive and uncertain due to the presence of nonlinearity, noise, and sparsity in the data, which in turn causes convergence to local minima and divergence issues. This work proposes a merger of machine learning (ML) and mechanistic approaches by employing ML models as a means to fit nonlinear mechanistic ordinary differential equations (ODEs). Using a two-stage indirect approach, neural ODEs are used to estimate state derivatives, which are then used to estimate the parameters of a more interpretable mechanistic ODE model. In addition to its computational efficiency, the proposed method demonstrates the ability of neural ODEs to better estimate derivative information than interpolating methods based on algebraic data-driven models. Most notably, the proposed method is shown to yield accurate predictions even when little information is known about the parameters of the ODEs. The proposed parameter estimation approach is believed to be most advantageous when the ODE to be fit is strongly nonlinear with respect to its unknown parameters. 

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4. Unbiased construction of constitutive relations for soft materials from experiments via rheology-informed neural networks

   https://doi.org/10.1073/pnas.2313658121  

   Mahmoudabadbozchelou, Mohammadamin ; Kamani, Krutarth M ; Rogers, Simon A ; Jamali, Safa ( January 2024 , Proceedings of the National Academy of Sciences)

   The ability to concisely describe the dynamical behavior of soft materials through closed-form constitutive relations holds the key to accelerated and informed design of materials and processes. The conventional approach is to construct constitutive relations through simplifying assumptions and approximating the time- and rate-dependent stress response of a complex fluid to an imposed deformation. While traditional frameworks have been foundational to our current understanding of soft materials, they often face a twofold existential limitation: i) Constructed on ideal and generalized assumptions, precise recovery of material-specific details is usually serendipitous, if possible, and ii) inherent biases that are involved by making those assumptions commonly come at the cost of new physical insight. This work introduces an approach by leveraging recent advances in scientific machine learning methodologies to discover the governing constitutive equation from experimental data for complex fluids. Our rheology-informed neural network framework is found capable of learning the hidden rheology of a complex fluid through a limited number of experiments. This is followed by construction of an unbiased material-specific constitutive relation that accurately describes a wide range of bulk dynamical behavior of the material. While extremely efficient in closed-form model discovery for a real-world complex system, the model also provides insight into the underpinning physics of the material.

    

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5. Learning Tensor Representations to Improve Quality of Wavefield Data

   https://doi.org/10.1115/QNDE2023-108620  

   Tetali, Harsha Vardhan ; Harley, Joel B. ( July 2023 , Proc. of the Review of Quantitative Nondestructive Evaluation)

   Recent advancements in physics-informed machine learning have contributed to solving partial differential equations through means of a neural network. Following this, several physics-informed neural network works have followed to solve inverse problems arising in structural health monitoring. Other works involving physics-informed neural networks solve the wave equation with partial data and modeling wavefield data generator for efficient sound data generation. While a lot of work has been done to show that partial differential equations can be solved and identified using a neural network, little work has been done the same with more basic machine learning (ML) models. The advantage with basic ML models is that the parameters learned in a simpler model are both more interpretable and extensible. For applications such as ultrasonic nondestructive evaluation, this interpretability is essential for trustworthiness of the methods and characterization of the material system under test. In this work, we show an interpretable, physics-informed representation learning framework that can analyze data across multiple dimensions (e.g., two dimensions of space and one dimension of time). The algorithm comes with convergence guarantees. In addition, our algorithm provides interpretability of the learned model as the parameters correspond to the individual solutions extracted from data. We demonstrate how this algorithm functions with wavefield videos. 

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