Evaluation and comparison of methods for neuronal parameter optimization using the Neuroptimus software framework.

IF 3.8 2区 生物学 Q1 BIOCHEMICAL RESEARCH METHODS
PLoS Computational Biology Pub Date : 2024-12-23 eCollection Date: 2024-12-01 DOI:10.1371/journal.pcbi.1012039
Máté Mohácsi, Márk Patrik Török, Sára Sáray, Luca Tar, Gábor Farkas, Szabolcs Káli
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引用次数: 0

Abstract

Finding optimal parameters for detailed neuronal models is a ubiquitous challenge in neuroscientific research. In recent years, manual model tuning has been gradually replaced by automated parameter search using a variety of different tools and methods. However, using most of these software tools and choosing the most appropriate algorithm for a given optimization task require substantial technical expertise, which prevents the majority of researchers from using these methods effectively. To address these issues, we developed a generic platform (called Neuroptimus) that allows users to set up neural parameter optimization tasks via a graphical interface, and to solve these tasks using a wide selection of state-of-the-art parameter search methods implemented by five different Python packages. Neuroptimus also offers several features to support more advanced usage, including the ability to run most algorithms in parallel, which allows it to take advantage of high-performance computing architectures. We used the common interface provided by Neuroptimus to conduct a detailed comparison of more than twenty different algorithms (and implementations) on six distinct benchmarks that represent typical scenarios in neuronal parameter search. We quantified the performance of the algorithms in terms of the best solutions found and in terms of convergence speed. We identified several algorithms, including covariance matrix adaptation evolution strategy and particle swarm optimization, that consistently, without any fine-tuning, found good solutions in all of our use cases. By contrast, some other algorithms including all local search methods provided good solutions only for the simplest use cases, and failed completely on more complex problems. We also demonstrate the versatility of Neuroptimus by applying it to an additional use case that involves tuning the parameters of a subcellular model of biochemical pathways. Finally, we created an online database that allows uploading, querying and analyzing the results of optimization runs performed by Neuroptimus, which enables all researchers to update and extend the current benchmarking study. The tools and analysis we provide should aid members of the neuroscience community to apply parameter search methods more effectively in their research.

利用Neuroptimus软件框架对神经元参数优化方法进行评价和比较。
为详细的神经元模型寻找最优参数是神经科学研究中普遍存在的挑战。近年来,人工模型调优已逐渐被使用各种不同工具和方法的自动参数搜索所取代。然而,使用大多数这些软件工具并为给定的优化任务选择最合适的算法需要大量的技术专长,这阻碍了大多数研究人员有效地使用这些方法。为了解决这些问题,我们开发了一个通用平台(称为Neuroptimus),允许用户通过图形界面设置神经参数优化任务,并使用由五个不同的Python包实现的各种最先进的参数搜索方法来解决这些任务。Neuroptimus还提供了一些功能来支持更高级的使用,包括并行运行大多数算法的能力,这使得它能够利用高性能计算架构。我们使用Neuroptimus提供的公共接口,在代表神经元参数搜索典型场景的六个不同基准上,对二十多种不同的算法(和实现)进行了详细的比较。我们根据找到的最佳解和收敛速度来量化算法的性能。我们确定了几种算法,包括协方差矩阵适应进化策略和粒子群优化,这些算法在没有任何微调的情况下始终能够在所有用例中找到良好的解决方案。相比之下,包括所有局部搜索方法在内的其他一些算法仅对最简单的用例提供了很好的解决方案,而对更复杂的问题则完全失败。我们还通过将Neuroptimus应用于涉及调整生化途径亚细胞模型参数的其他用例来演示其多功能性。最后,我们创建了一个在线数据库,允许上传、查询和分析Neuroptimus执行的优化运行结果,使所有研究人员能够更新和扩展当前的基准研究。我们提供的工具和分析应该帮助神经科学界的成员在他们的研究中更有效地应用参数搜索方法。
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来源期刊
PLoS Computational Biology
PLoS Computational Biology BIOCHEMICAL RESEARCH METHODS-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
7.10
自引率
4.70%
发文量
820
审稿时长
2.5 months
期刊介绍: PLOS Computational Biology features works of exceptional significance that further our understanding of living systems at all scales—from molecules and cells, to patient populations and ecosystems—through the application of computational methods. Readers include life and computational scientists, who can take the important findings presented here to the next level of discovery. Research articles must be declared as belonging to a relevant section. More information about the sections can be found in the submission guidelines. Research articles should model aspects of biological systems, demonstrate both methodological and scientific novelty, and provide profound new biological insights. Generally, reliability and significance of biological discovery through computation should be validated and enriched by experimental studies. Inclusion of experimental validation is not required for publication, but should be referenced where possible. Inclusion of experimental validation of a modest biological discovery through computation does not render a manuscript suitable for PLOS Computational Biology. Research articles specifically designated as Methods papers should describe outstanding methods of exceptional importance that have been shown, or have the promise to provide new biological insights. The method must already be widely adopted, or have the promise of wide adoption by a broad community of users. Enhancements to existing published methods will only be considered if those enhancements bring exceptional new capabilities.
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