Autonomous learning of generative models with chemical reaction network ensembles.

IF 3.5 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Journal of The Royal Society Interface Pub Date : 2025-01-01 Epub Date: 2025-01-22 DOI:10.1098/rsif.2024.0373
William Poole, Thomas E Ouldridge, Manoj Gopalkrishnan
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Abstract

Can a micron-sized sack of interacting molecules autonomously learn an internal model of a complex and fluctuating environment? We draw insights from control theory, machine learning theory, chemical reaction network theory and statistical physics to develop a general architecture whereby a broad class of chemical systems can autonomously learn complex distributions. Our construction takes the form of a chemical implementation of machine learning's optimization workhorse: gradient descent on the relative entropy cost function, which we demonstrate can be viewed as a form of integral feedback control. We show how this method can be applied to optimize any detailed balanced chemical reaction network and that the construction is capable of using hidden units to learn complex distributions.

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化学反应网络集成生成模型的自主学习。
一袋微米大小的相互作用的分子能自主学习复杂多变环境的内部模型吗?我们从控制理论、机器学习理论、化学反应网络理论和统计物理学中汲取见解,开发出一种通用架构,使广泛的化学系统能够自主学习复杂的分布。我们的构建采用了机器学习优化工作的化学实现形式:相对熵成本函数的梯度下降,我们证明可以将其视为积分反馈控制的一种形式。我们展示了如何将这种方法应用于优化任何详细的平衡化学反应网络,并且该构造能够使用隐藏单元来学习复杂分布。
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来源期刊
Journal of The Royal Society Interface
Journal of The Royal Society Interface 综合性期刊-综合性期刊
CiteScore
7.10
自引率
2.60%
发文量
234
审稿时长
2.5 months
期刊介绍: J. R. Soc. Interface welcomes articles of high quality research at the interface of the physical and life sciences. It provides a high-quality forum to publish rapidly and interact across this boundary in two main ways: J. R. Soc. Interface publishes research applying chemistry, engineering, materials science, mathematics and physics to the biological and medical sciences; it also highlights discoveries in the life sciences of relevance to the physical sciences. Both sides of the interface are considered equally and it is one of the only journals to cover this exciting new territory. J. R. Soc. Interface welcomes contributions on a diverse range of topics, including but not limited to; biocomplexity, bioengineering, bioinformatics, biomaterials, biomechanics, bionanoscience, biophysics, chemical biology, computer science (as applied to the life sciences), medical physics, synthetic biology, systems biology, theoretical biology and tissue engineering.
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