软球填料能量景观中的海市蜃楼

Praharsh Suryadevara, Mathias Casiulis, Stefano Martiniani
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引用次数: 0

摘要

能量面是理解低温和无热系统(如卡住的软球)的核心。这种高维能量面的几何形状由大量的极小值及其相关的吸引盆地所控制,这些极小值和吸引盆地无法进行分析处理,因此只能通过数值方法进行研究。利用这种算法,我们提供了明确的证据,证明在计算研究中广泛使用的优化器会破坏真实景观几何的所有外观,即使在中等维度中也是如此。通过使用各种几何指标(包括低维和高维),我们证明了关于吸引力盆地折裂性的结果源自于使用了不适当的映射策略,因为盆地实际上是具有明确长度尺度的平滑结构。因此,由于使用了不恰当的数值方法,过去关于能量景观的大量说法需要重新评估。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mirages in the Energy Landscape of Soft Sphere Packings
The energy landscape is central to understanding low-temperature and athermal systems, like jammed soft spheres. The geometry of this high-dimensional energy surface is controlled by a plethora of minima and their associated basins of attraction that escape analytical treatment and are thus studied numerically. We show that the ODE solver with the best time-for-error for this problem, CVODE, is orders of magnitude faster than other steepest-descent solvers for such systems. Using this algorithm, we provide unequivocal evidence that optimizers widely used in computational studies destroy all semblance of the true landscape geometry, even in moderate dimensions. Using various geometric indicators, both low- and high-dimensional, we show that results on the fractality of basins of attraction originated from the use of inadequate mapping strategies, as basins are actually smooth structures with well-defined length scales. Thus, a vast number of past claims on energy landscapes need to be re-evaluated due to the use of inadequate numerical methods.
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