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减轻计算机在复制具有霍奇金-赫胥黎型神经元的神经网络模型数值模拟方面的局限性。

Mitigating Computer Limitations in Replicating Numerical Simulations of a Neural Network Model With Hodgkin-Huxley-Type Neurons.

作者信息

Lopes Paulo H, Oliveira Bruno Cruz, Souza Anderson Abner de S, Blanco Wilfredo

机构信息

Bioinformatics Department, Federal University of Rio Grande do Norte, Natal, Brazil.

Computer Science Department, State University of Rio Grande do Norte, Natal, Brazil.

出版信息

Front Neuroinform. 2022 May 12;16:874234. doi: 10.3389/fninf.2022.874234. eCollection 2022.

Abstract

Computational experiments have been very important to numerically simulate real phenomena in several areas. Many studies in computational biology discuss the necessity to obtain numerical replicability to accomplish new investigations. However, even following well-established rules in the literature, numerical replicability is unsuccessful when it takes the computer's limitations for representing real numbers into consideration. In this study, we used a previous published recurrent network model composed by Hodgkin-Huxley-type neurons to simulate the neural activity during development. The original source code in C/C++ was carefully refactored to mitigate the lack of replicability; moreover, it was re-implemented to other programming languages/software (XPP/XPPAUT, Python and Matlab) and executed under two operating systems (Windows and Linux). The commutation and association of the input current values during the summation of the pre-synaptic activity were also analyzed. A total of 72 simulations which must obtain the same result were executed to cover these scenarios. The results were replicated when the high floating-point precision (supplied by third-party libraries) was used. However, using the default floating-point precision type, none of the results were replicated when compared with previous results. Several new procedures were proposed during the source code refactorization; they allowed replicating only a few scenarios, regardless of the language and operating system. Thus, the generated computational "errors" were the same. Even using a simple computational model, the numerical replicability was very difficult to be achieved, requiring people with computational expertise to be performed. After all, the research community must be aware that conducting analyses with numerical simulations that use real number operations can lead to different conclusions.

摘要

计算实验对于在多个领域对实际现象进行数值模拟非常重要。计算生物学中的许多研究都讨论了获得数值可重复性以完成新研究的必要性。然而,即使遵循文献中既定的规则,当考虑到计算机表示实数的局限性时,数值可重复性也无法实现。在本研究中,我们使用了先前发表的由霍奇金 - 赫胥黎型神经元组成的递归网络模型来模拟发育过程中的神经活动。精心重构了C/C++ 中的原始源代码以减轻可重复性的不足;此外,将其重新实现为其他编程语言/软件(XPP/XPPAUT、Python 和 Matlab)并在两种操作系统(Windows 和 Linux)下执行。还分析了突触前活动总和期间输入电流值的换向和关联。为涵盖这些情况,总共执行了 72 次必须获得相同结果的模拟。当使用高浮点精度(由第三方库提供)时,结果得以重现。然而,使用默认的浮点精度类型时,与先前结果相比,没有一个结果能够重现。在源代码重构过程中提出了几个新程序;无论使用何种语言和操作系统,它们仅允许重现少数情况。因此,产生的计算“误差”是相同的。即使使用简单的计算模型,数值可重复性也很难实现,需要有计算专业知识的人员来进行。毕竟,研究界必须意识到,使用实数运算的数值模拟进行分析可能会导致不同的结论。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bda4/9135410/efbf2c8b76a4/fninf-16-874234-g0001.jpg

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