Optimizing machine learning yield functions using query-by-committee for support vector classification with a dynamic stopping criterion

Abstract

In the field of materials engineering, the accurate prediction of material behavior under various loading conditions is crucial. Machine Learning (ML) methods have emerged as promising tools for generating constitutive models straight from data, capable of describing complex material behavior in a more flexible way than classical constitutive models. Yield functions, which serve as foundation of constitutive models for plasticity, can be properly described in a data-oriented manner using ML methods. However, the quality of these descriptions heavily relies on the availability of sufficient high-quality and representative training data that needs to be generated by fundamental numerical simulations, experiments, or a combination of both. The present paper addresses the issue of data selection, by introducing an active learning approach for Support Vector Classification (SVC) and its application in training an ML yield function with suitable data. In this regard, the Query-By-Committee (QBC) algorithm was employed, guiding the selection of new training data points in regions of the feature space where a committee of models shows significant disagreement. This approach resulted in a marked reduction in the variance of model predictions throughout the active learning process. It was also shown that the rate of decrease in the variance went along with an increase in the quality of the trained model, quantified by the Matthews Correlation Coefficient (MCC). This demonstrated the effectiveness of the approach and offered us the possibility to define a dynamic stopping criterion based on the variance in the committee results.