No abstract

A major goal of materials design is to find material structures with desired properties and in a second step to find a processing path to reach one of these structures. In this paper, we propose and investigate a deep reinforcement learning approach for the optimization of processing paths. The goal is to find optimal processing paths in the material structure space that lead to target-structures, which have been identified beforehand to result in desired material properties. There exists a target set containing one or multiple different structures, bearing the desired properties. Our proposed methods can find an optimal path from a start structure to a single target structure, or optimize the processing paths to one of the equivalent target-structures in the set. In the latter case, the algorithm learns during processing to simultaneously identify the best reachable target structure and the optimal path to it. The proposed methods belong to the family of model-free deep reinforcement learning algorithms. They are guided by structure representations as features of the process state and by a reward signal, which is formulated based on a distance function in the structure space. Model-free reinforcement learning algorithms learn through trial and error while interacting with the process. Thereby, they are not restricted to information from a priori sampled processing data and are able to adapt to the specific process. The optimization itself is model-free and does not require any prior knowledge about the process itself. We instantiate and evaluate the proposed methods by optimizing paths of a generic metal forming process. We show the ability of both methods to find processing paths leading close to target structures and the ability of the extended method to identify target-structures that can be reached effectively and efficiently and to focus on these targets for sample efficient processing path optimization.

We address a non-unique parameter fitting problem in the context of material science. In particular, we propose to resolve ambiguities in parameter space by augmenting a black-box artificial neural network (ANN) model with two different levels of expert knowledge and benchmark them against a pure black-box model.

Systematic decision making in engineering requires appropriate models. In this article, we introduce a regression method for enhancing the predictive power of a model by exploiting expert knowledge in the form of shape constraints, or more specifically, monotonicity constraints. Incorporating such information is particularly useful when the available datasets are small or do not cover the entire input space, as is often the case in manufacturing applications. We set up the regression subject to the considered monotonicity constraints as a semi-infinite optimization problem, and propose an adaptive solution algorithm. The method is applicable in multiple dimensions and can be extended to more general shape constraints. It was tested and validated on two real-world manufacturing processes, namely, laser glass bending and press hardening of sheet metal. It was found that the resulting models both complied well with the expert’s monotonicity knowledge and predicted the training data accurately. The suggested approach led to lower root-mean-squared errors than comparative methods from the literature for the sparse datasets considered in this work.

Optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material microstructures. These microstructures are defined by the material properties of interest and identifying them is a question of materials design. In the present paper, we addresse this issue and introduce a generic multi-task learning-based optimization approach. The approach enables the identification of sets of highly diverse microstructures for given desired properties and corresponding tolerances. Basically, the approach consists of an optimization algorithm that interacts with a machine learning model that combines multi-task learning with siamese neural networks. The resulting model (1) relates microstructures and properties, (2) estimates the likelihood of a microstructure of being producible, and (3) performs a distance preserving microstructure feature extraction in order to generate a lower dimensional latent feature space to enable efficient optimization. The proposed approach is applied on a crystallographic texture optimization problem for rolled steel sheets given desired properties.