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Sez Russcher

Publications and source records attributed to Sez Russcher.

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Shrinkage-Constrained Functional Calibration for Complex Computer Models

We propose a new Bayesian model calibration formalism as an alternative to the Kennedy O'Hagan (KOH) framework which we term integrated bias with full uncertainty (IBFU). In KOH, calibration parameters are modeled as fixed, but unknown distributions with relatively weak prior constraints, and their posteriors are inferred jointly with an additive discrepancy Gaussian Process (GP). This formulation often provides limited regularization and leads to confounding pathologies when applied to inexact models with sparse, noisy measurements. By contrast, we represent each calibration parameter as the sum of a fixed best estimate value and a parameter correction represented by an independent GP over the input space, equipped with strong shrinkage priors. Any residual discrepancy that cannot be addressed via parameter correction is captured by an additive discrepancy GP operating on the simulator, similar to KOH. We then impose orthogonality constraints to mitigate confounding between the simulator and modeled additive discrepancy and colinearity between model parameters. Imposing strong complexity shrinkage via conservative hyperpriors forces the mean parameter correction to remain flat across the domain, resulting in predictions that essentially converge with the KOH formulation. However, upon relaxing complexity shrinkage, should the data provide evidence that the effective calibration parameter varies across the domain, the mean parameter correction is allowed to become a function of the domain in a controlled, structured manner. In this sense, our approach is more universal: it effectively nests KOH as a special case while extending it to input dependent calibration, and it is more tightly constrained, because it anchors the true values around the best estimates and the shrinkage prior actively regularizes the calibration parameters.

stat.ME

Bayesian Model Calibration with Integrated Discrepancy: Addressing Inexact Dislocation Dynamics Models

In this work, a novel approach to Bayesian model calibration routines is developed which reinterprets the traditional definition of model discrepancy as defined by Kennedy and O'Hagan (KOH). The novelty lies in the integration of $\delta_\theta(x_i)$ GPs within the simulator, which is approximated as a GP surrogate model to ensure computational tractability. This approach assumes that the utilized simulator sufficiently predicts observed trends when calibrated with respect to the application domain, and that all model-form errors can be attributed to uncertainty in the input parameters. In contrast, the KOH method assumes discrepancy to be inherently decoupled from the simulator, acting as a 'catch-all' for various sources of model error. The new method is applied to Molecular Dynamics observations of the critical stress to drive dislocation dipoles, and equivalent predictions using a Discrete Dislocation Dynamics simulator whose coarse-grained physical interpretation of the underlying physical mechanisms requires calibration against MD observations. We present an overview of similar state-aware calibration routines; differentiate the provided approach through redefining the commonly used discrepancy Gaussian process and benchmark against KOH. A philosophical argument as to when application of the proposed method is appropriate is provided, and future directions for expanding upon this methodology are proposed.

stat.ME