AF: EAGER: An Algorithmic Framework for Self-Assembly

在许多生物体中，自组装是一个普遍存在的、自然的、强大的过程，它通过独立物体/实体的协调作用而发生，从而形成定义良好的模式。例如，微管形成了细胞分裂过程中出现的纺锤体等结构的框架。该项目的目标是开发一种算法框架，以识别自组装系统中编码模式的智能。从这个项目中获得的见解对于计算科学和工程非常重要，以便开发新的工程自组装系统。该算法框架的新颖之处在于将随机离散事件模拟与元胞自动机中的分子/细胞水平模型相结合。这种方法将使自组装过程的多个时间层次上的多个离散事件的合作成为可能，从而提供对此类事件的精确控制，这些事件显示出在此类系统中观察到的特定行为。一个离散的动态元胞自动机模型将被开发来表示相互作用的微管二聚体在形成微管晶格的局部行为。这项研究将为更广泛的算法社区提供一个混合算法框架。其他更广泛的影响包括为学生提供多学科培训，并将研究纳入计算机科学和机械工程课程的本科/研究生课程。外联活动包括发展和组织与自组装算法和框架有关的讲习班。拟议中的俄罗斯方块游戏旨在吸引初高中学生进入STEM领域。研究结果将通过期刊和会议出版物传播，并可在网上免费获得。

Self-assembly is a ubiquitous, natural, robust process in many living organisms and occurs through coordinated action of independent objects/entities leading to the formation of well-defined patterns. For instance, microtubules form a framework for structures such as the spindle apparatus that appears during cell division. A goal of this project is to develop an algorithmic framework to identify the intelligence of encoded patterns in self-assembly systems. Insights gained from this project are important to computational science and engineering in order to develop novel engineered self-assembly systems. The novelty of the algorithmic framework lies in the combination of stochastic discrete event simulations and molecular/cellular level models in cellular automata. This approach will enable the cooperation of multiple discrete events at multiple temporal levels of the self-assembly process to provide precise control of such events that exhibits specific behaviors observed in such systems. A discrete dynamical cellular automata model will be developed to represent the local behavior of interacting tubulin dimers in forming a microtubules lattice.The research will provide a hybrid algorithmic framework for the wider algorithmic community. Other broader Impacts include multidisciplinary training for students, and integration of research into undergraduate/graduate courses in computer science and mechanical engineering curricula. Outreach activities involve developing and organizing workshops related to self-assembly algorithms and framework. The proposed MTetris game is intended to attract middle and high school students to STEM fields. The results will be disseminated through journal and conference publications and freely available online.