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Ronak Shoghi

Publications and source records attributed to Ronak Shoghi.

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Diversity-Aware Batch-Mode Active Learning for Efficient Sampling in Data-Driven Constitutive Modeling

The constitutive behavior of materials is modeled through relationships between stress, strain, and possibly additional internal variables. This results in relatively high-dimensional feature spaces for machine learning models rendering the efficient generation of informative datasets essential as brute force methods suffer from the curse of dimensionality. This work introduces a diversity-aware batch-mode query-by-committee active-learning strategy to generate datasets of maximum information content at minimum cost. In contrast to existing methods, this novel method selects multiple informative, non-redundant queries per iteration, enabling concurrent generation of informative datasets and reducing the number of machine-learning retraining cycles. A central component of this method is a cosine-similarity-based metric that complements the uncertainty criterion based on committee variance by promoting within-batch diversity. The query selection is guided by committee variance and a diversity-promoting criterion. The approach is benchmarked for efficient stress-space sampling in data-driven constitutive modeling. In this setting, a committee of support vector classifiers approximates the so-called yield surface, which is a manifold dividing the six-dimensional stress space into an elastic and plastic domain. We demonstrate that the method handles different batch sizes robustly, maintains high within batch diversity, and rapidly reduces committee uncertainty. The resulting machine learning yield surfaces achieve predictive accuracy comparable to sequential active learning, while requiring substantially fewer retraining cycles. This makes the proposed approach an efficient strategy for stress space sampling in data driven constitutive modeling and for reducing time to solution via concurrent data collection in each iteration.

physics.comp-ph

A Workflow-Centric Approach to Generating FAIR Data Objects for Computationally Generated Microstructure-Sensitive Mechanical Data

From a data perspective, the materials mechanics field is characterized by sparsity of available data, mainly due to the strong microstructure-sensitivity of properties like strength, fracture toughness, and fatigue limit. This requires testing specimens with different thermo-mechanical histories, even when the composition is similar. Experimental data on mechanical behavior is rare, as mechanical testing is destructive and requires significant material and effort. Furthermore, mechanical behavior is typically characterized in simplified tests under uniaxial loading conditions, whereas a complete characterization requires multiaxial testing. To address this data sparsity, simulation methods like micromechanical modeling can contribute to microstructure-sensitive data collections. This work introduces a novel data schema integrating both metadata and mechanical data, following the workflows of the material modeling processes by which the data has been generated. Each workflow run produces unique data objects by incorporating user, system, and job-specific information correlated with mechanical properties. This approach can be applied to any type of workflow as long as it is well-defined. This integrated format provides a sustainable way of generating Findable, Accessible, Interoperable, and Reusable (FAIR) data objects. The metadata elements focus on key features required to characterize microstructure-specific data, simplifying the collection of purpose-specific datasets by search algorithms.

physics.comp-ph