Quantitative visualization in the computational biological sciences

C. Bajaj
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Abstract

Discoveries in computational molecular - cell biology and bioinformatics promise to provide new therapeutic interventions to disease. With the rapid growth of sequence and structural information for thousands of proteins and hundreds of cell types, computational processing are a restricting factor in obtaining quantitative understanding of molecular-cellular function. Processing and analysis is necessary both for input data (often from imaging) and simulation results. To make biological conclusions, this data must be input to and combined with results from computational analysis and simulations. Furthermore, as parallelism is increasingly prevalent, utilizing the available processing power is essential to development of scalable solutions needed for realistic scientific inquiry. However, complex image processing and even simulations performed on large clusters, multi-core CPU, GPU-type parallelization means that naive cache unaware algorithms may not efficiently utilize available hardware. Future gains thus require improvements to a core suite of algorithms underpinning the data processing, simulation, optimization and visualization needed for scientific discovery. In this talk, I shall highlight current progress on these algorithms as well as provide several challenges for the visualization community.
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计算生物科学中的定量可视化
计算分子细胞生物学和生物信息学的发现有望为疾病提供新的治疗干预。随着数千种蛋白质和数百种细胞类型的序列和结构信息的快速增长,计算处理是获得分子细胞功能定量理解的制约因素。处理和分析输入数据(通常来自成像)和模拟结果都是必要的。为了得出生物学结论,这些数据必须输入并与计算分析和模拟的结果相结合。此外,由于并行性越来越普遍,利用可用的处理能力对于开发现实科学探究所需的可扩展解决方案至关重要。然而,复杂的图像处理,甚至在大型集群、多核CPU、gpu类型的并行化上进行的模拟,意味着朴素的缓存不感知算法可能无法有效地利用可用的硬件。因此,未来的收益需要对支撑科学发现所需的数据处理、模拟、优化和可视化的核心算法套件进行改进。在这次演讲中,我将重点介绍这些算法的最新进展,并为可视化社区提供一些挑战。
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