An Emergent Simulation Modeling Approach for Discovery of Knowledge on Phenomena in Chemical Systems
An Emergent Simulation Modeling Approach for Discovery of Knowledge on Phenomena in Chemical Systems
复制标题
发现化学系统现象知识的紧急模拟建模方法
DOI：
10.1252/jcej.39.1010
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
Rafael Batres
中科院分区：
文献类型：
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作者：
Steven B. Kraines;M. Koyama;Rafael Batres
基于系统的方法是进行复杂化学系统仿真建模的有效方法。然而，传统的集中式或整体式建模方法仅限于建模者的知识领域，因此这些方法无法从其他领域发现潜在的重要知识。此外，在传统的建模过程中，设计化学系统的研究人员不熟悉但在其他领域可能是众所周知的重要现象的知识经常被忽视，导致对建模的化学系统特性的不正确预测。提出了一种用于知识发现的涌现模拟建模方法（涌现模拟方法），用于评价化学系统中的现象学行为。在这种紧急模拟方法中，开发了模拟在不同设计和操作条件下发生的现象的计算模型的知识专家使这些模型可用于软件系统。其他工程师和科学家可以访问该软件系统，搜索与描述特定化学系统的某些条件和规格相匹配的模拟现象的模型。为了支持搜索和匹配过程，化学系统的本体标记语言的建议。研究人员可以使用这种标记语言来创建他们正在研究的化学系统的规范。该规范用于发现哪些计算模型可以模拟给定规范中可能发生的现象。本文提出了1）涌现模拟方法的概念，2）本体论标记语言开发的涌现模拟的现象在化学系统中，和3）设计的软件系统，支持所提出的涌现模拟方法。
A system-based approach is effective in conducting simulation modeling of complex chemical systems. However, traditional centralized or monolithic modeling approaches are restricted to the knowledge domain of the modeler, and therefore these approaches cannot lead to the discovery of potentially important knowledge from other areas. Furthermore, knowledge of important phenomena, which are unfamiliar to the researcher who is designing the chemical system but may be well-known in other domains, are often overlooked in the conventional modeling process, leading to incorrect predictions of the modeled chemical system characteristics. An emergent simulation modeling approach for knowledge discovery (emergent simulation approach) is proposed to evaluate phenomenological behavior in chemical systems. In this emergent simulation approach, knowledge experts who have developed computational models that simulate the phenomena occurring under different design and operation conditions make those models available to a software system. Other engineers and scientists can access the software system to search for models simulating phenomena that match certain conditions and specifications describing a particular chemical system. In order to support the search and match process, an ontological markup language for chemical systems is proposed. Researchers can use this markup language to create a specification of the chemical system that they are investigating. That specification is used to discover which computational models can simulate phenomena that could occur in the given specification. This paper presents 1) the concept of the emergent simulation approach, 2) an ontological markup language developed for the emergent simulation of phenomena in chemical systems, and 3) a design for a software system that supports the proposed emergent simulation approach.