分子可视化中的光线追踪棋盘渲染  

Ray Tracing Checkerboard Rendering in Molecular Visualization

作　　者：李家振 纪庆革[1,2] 朱泳霖 LI Jia-zhen;JI Qing-ge;ZHU Yong-lin(School of Computer Science and Engineering,Sun Yat-sen University,Guangzhou 510006,China;Guangdong Province Key Laboratory of Big Data Analysis and Processing,Guangzhou 510006,China)

机构地区：[1]中山大学计算机学院,广州510006 [2]广东省大数据分析与处理重点实验室,广州510006

出　　处：《计算机科学》2022年第2期134-141,共8页Computer Science

基　　金：国家自然科学基金(U1611263)。

摘　　要：在分子可视化中使用光线追踪渲染图像能够极大地促进研究人员对分子结构的观察和感知,但现有的光线追踪方法存在实时性能不足以及渲染质量不佳的问题。文中提出了一种光线追踪棋盘渲染方法。该方法利用棋盘渲染技术对光线追踪方法进行优化,其流程主要划分为重投影、渲染、重建和孔填充4个阶段,在各阶段中,提出了针对棋盘渲染的改进,包括光线追踪前向重投影、分子着色包围盒、动态图像重建方法和八邻居插值填孔策略。在6个拥有不同原子数量的分子上与目前的先进方法进行对比,实验结果表明,所提方法整体的实时帧率明显高于同样基于CPU计算的Tachyon-OSPRay方法,是后者的1.58~1.86倍。另外,在原子数量相对较少的实验分子上,所提方法比基于GPU加速计算的Tachyon-Optix方法拥有更好的帧率表现。Using advanced ray tracing technology in molecular visualization to render images can greatly enhance researchers’ observation and perception of molecular structure.However,existing ray tracing methods have the problems of insufficient real-time performance and poor rendering quality.In this paper,a ray tracing checkerboard rendering method is proposed.The ray tracing method is optimized by using the checkerboard rendering technology.The process of the proposed method is divided into four phases:reprojection,rendering,reconstruction and hole filling.In these phases,improvements to the checkerboard rendering are proposed,including forward reprojection,molecular shading bounding box,dynamic image reconstruction and eight-neighbor interpolation hole filling strategy.The experiment in this paper is carried out on 6 molecules with different atomic numbers.Experimental results of the comparison between the proposed method and the current advanced methods on supercomputers show that the real-time frame rate of our method is significantly higher than that of the Tachyon-OSPRay method based on CPU calculation,which is 1.58 times to 1.86 times that of the Tachyon-OSPRay method.Moreover,the proposed method has better frame rate performance than the Tachyon-Optix method based on GPU-accelerated calculation under the condition of relatively few atoms.

关 键 词：分子可视化 分子渲染 光线追踪 棋盘渲染 时间性反走样 

分 类 号：TP391.41[自动化与计算机技术—计算机应用技术]