We propose a new abstraction set (SynopSet) that has a continuum of visual representations for the explanatory analysis of molecular dynamics simulations (MDS) in the DNA nanotechnology domain. By re-purposing the commonly used progress bar and designing novel visuals, as well as transforming the data from the domain format to a format that better fits the newly designed visuals, we compose this new set of representations. This set is also designed to be capable of showing all spatial and temporal details, and all structural complexity, or abstracting these to various degrees, enabling both the slow playback of the simulation for detailed examinations or very fast playback for an overview that helps to efficiently identify events of interest, as well as several intermediate levels between these two extremes. For any pair of successive representations, we demonstrate smooth, continuous transitions, enabling users to keep track of relevant information from one representation to the next. By providing multiple representations suited to different temporal resolutions and connected by smooth transitions, we enable time-efficient simulation analysis, giving users the opportunity to examine and present important phases in great detail, or leverage abstract representations to go over uneventful phases much faster. Domain experts can thus gain actionable insight about their simulations and communicate it in a much shorter time. Further, the novel representations are more intuitive and also enable researchers unfamiliar with MDS analysis graphs to better understand the simulation results. We assessed the effectiveness of SynopSet on 12 DNA nanostructure simulations together with a domain expert. We have also shown that our set of representations can be systematically located in a visualization space, dubbed SynopSpace.
翻译:我们提出一个新的抽象图集( SynopSet ), 用于DNA纳米技术领域的分子动态模拟( MDS) 的解释性分析。 我们提出一个新的抽象图集( SynopSet ), 该图集为DNA纳米技术领域的分子动态模拟( MDS) 的解释性分析提供一系列连续的视觉表现。 通过重新定位常用的进展栏和设计新视觉, 以及将数据从域格式转换为更适合新设计的视觉的格式, 我们构建了这组新的图示集。 这套图集的设计还能够显示所有空间和时间细节, 以及所有结构的复杂性, 或将这些结构的复杂程度抽象图集到不同程度上, 使得模拟的慢速回放, 或者快速回放一个有助于有效识别感兴趣的事件, 以及这两个极端之间的几个中间层次。 对于任何连续的演示, 我们展示了平稳、连续的转换数据格式, 使用户能够跟踪相关信息, 从一个不同的时间分辨率分解, 通过平稳的转换, 我们允许有时间效率的模拟分析, 使用户有机会仔细地检查和展示重要的阶段, 或者利用抽象图象图示, 在更精确的阶段里显示一个更精确的模型分析中, 。 因此, 专家可以更快地在更精确的模拟中取得一个更精确的模型上的行动 。