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Diversity-aware batch-mode active learning for efficient sampling in data-driven constitutive modeling

R. Shoghi, L. Morand, D. Helm, A. Hartmaier

Computational Materials Science, 274, 114979, (2026)

DOI: 10.1016/j.commatsci.2026.114979

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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 queries per iteration, while explicitly discouraging redundant loading directions within each batch, thereby 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.

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{"type":"article", "name":"r.shoghi20269", "author":"R. Shoghi and L. Morand and D. Helm and A. Hartmaier", "title":"Diversityaware batchmode active learning for efficient sampling in datadriven constitutive modeling", "journal":"Computational Materials Science", "volume":"274", "OPTnumber":"", "OPTmonth":"9", "year":"2026", "OPTpages":"114979", "OPTnote":"", "OPTkey":"Batch-mode active learning; Query-by-committee; Support vector classification; Constitutive modeling; Machine learning yield function", "DOI":"10.1016/j.commatsci.2026.114979"}
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