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Mridula Kuppa

Publications and source records attributed to Mridula Kuppa.

2 recordsLinked to original sources

Model Error Embedding with Orthogonal Gaussian Processes

Computational models of complex physical systems often rely on simplifying assumptions which inevitably introduce model error, with consequent predictive errors. Given data on model observables, the estimation of parameterized model-error representations, along with other model parameters, would be ideally done while separating the contributions of each of the two sets of parameters, in order to ensure meaningful stand-alone model predictions. This work builds an embedded model error framework using a weight-space representation of Gaussian processes (GPs) to flexibly capture model-error spatiotemporal correlations and enable inference with GP-embedding in non-linear models. To disambiguate model and model-error/bias parameters, we extend an existing orthogonal GP method to the embedded model-error setting and derive appropriate orthogonality constraints. To address the increased dimensionality introduced by the GP representation, we employ the likelihood-informed subspace method. The construction is demonstrated on linear and non-linear examples, where it effectively corrects model predictions to match data trends. Extrapolation beyond the training data recovers the prior predictive distribution, and the orthogonality constraints lead to meaningful stand-alone model predictions and nearly uncorrelated posteriors between model and model-error parameters.

stat.ME

Stochastic Operator Learning for Chemistry in Non-Equilibrium Flows

This work presents a novel framework for physically consistent model error characterization and operator learning for reduced-order models of non-equilibrium chemical kinetics. By leveraging the Bayesian framework, we identify and infer sources of model and parametric uncertainty within the Coarse-Graining Methodology across a range of initial conditions. The model error is embedded into the chemical kinetics model to ensure that its propagation to quantities of interest remains physically consistent. For operator learning, we develop a methodology that separates time dynamics from other input parameters. Karhunen-Loeve Expansion (KLE) is employed to capture time dynamics, yielding temporal modes, while Polynomial Chaos Expansion (PCE) is subsequently used to map model error and input parameters to KLE coefficients. The proposed model offers three significant advantages: i) Separating time dynamics from other inputs ensures stability of chemistry surrogate when coupled with fluid solvers; ii) The framework fully accounts for model and parametric uncertainty, enabling robust probabilistic predictions; iii) The surrogate model is highly interpretable, with visualizable time modes and a PCE component that facilitates analytical calculation of sensitivity indices. We apply this framework to O2-O chemistry system under hypersonic flight conditions, validating it in both a 0D adiabatic reactor and coupled simulations with a fluid solver in a 1D shock case. Results demonstrate that the surrogate is stable during time integration, delivers physically consistent probabilistic predictions accounting for model and parametric uncertainty, and achieves maximum relative error below 10%. This work represents a significant step forward in enabling probabilistic predictions of non-equilibrium chemistry with coupled fluid solvers, offering a physically accurate approach for hypersonic flow predictions.

physics.comp-ph