论文标题
深化强化学习方法用于结构引导的处理路径优化
Deep Reinforcement Learning Methods for Structure-Guided Processing Path Optimization
论文作者
论文摘要
材料设计的主要目标是找到具有所需特性的材料结构,并在第二步中找到达到其中一种结构之一的处理路径。在本文中,我们提出并研究了一种深入的加强学习方法,以优化处理路径。目的是在材料结构空间中找到最佳的处理路径,这些空间导致目标结构,并已预先确定这些材料,从而导致所需的材料属性。存在一个包含一个或多个不同结构的目标集。我们提出的方法可以找到从开始结构到单个目标结构的最佳路径,或优化集合中等效目标结构之一的处理路径。在后一种情况下,该算法在处理过程中学习,以同时确定最佳的目标目标结构及其最佳途径。所提出的方法属于无模型深的强化学习算法的家族。它们以结构表示为过程状态的特征和奖励信号的指导,该特征是根据结构空间中的距离函数制定的。在与过程互动时,通过反复试验学习算法,通过反复试验学习。因此,它们不仅限于先验采样的处理数据中的信息,并能够适应特定过程。优化本身是无模型的,并且不需要有关过程本身的任何先验知识。我们通过优化通用金属形成过程的路径来实例化和评估所提出的方法。我们显示了两种方法找到通向目标结构的处理路径的能力,以及扩展方法识别可以有效,有效地达到目标结构的能力,并专注于这些目标,以进行样品有效的处理路径优化。
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. 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.