Enabling local neural operators to perform equation-free system-level analysis

IF 29.8 1区 计算机科学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE
Gianluca Fabiani, Hannes Vandecasteele, Somdatta Goswami, Constantinos Siettos, Ioannis G. Kevrekidis
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Abstract

Neural operators (NOs) offer a powerful computational framework to learn complex spatiotemporal dynamics as mappings between infinite-dimensional function spaces. Still, NOs have primarily been used as surrogates for brute-force temporal simulations and predictions. Their potential for systematic, system-level numerical analysis, such as fixed-point, stability and bifurcation analysis—crucial for predicting irreversible transitions in real-world phenomena—remains largely unexplored. Here, motivated by the equation-free approach, we develop a framework that integrates (local) NOs with iterative numerical analysis methods in the Krylov subspace. This approach expands their potential beyond simulation to efficiently analyse large-scale dynamical systems and tackle fundamental challenges in computer-assisted modelling and numerical analysis of complex systems. Furthermore, we demonstrate the utility of learning local in space–time NOs, which, combined with multiscale equation-free schemes—such as projective integration, Gap-Tooth and Patch Dynamics—accelerate system-level computations, improve the conditioning of Krylov solvers and reduce memory requirements, enabling efficient multiscale analysis of complex spatiotemporal dynamics. We illustrate our framework via three nonlinear partial differential equations (PDE) benchmarks: the one-dimensional Allen–Cahn equation, which undergoes multiple concatenated pitchfork bifurcations, the Liouville–Bratu–Gelfand PDE, which features a saddle-node tipping point, and the FitzHugh–Nagumo model, consisting of two coupled PDEs that exhibit both Hopf and saddle-node bifurcations. Moving beyond brute-force simulations, local neural operators—combined with equation-free methods and Krylov subspace techniques—enable system-level stability and bifurcation analysis of complex spatiotemporal systems directly from data.

Abstract Image

使局部神经算子能够执行无方程的系统级分析
神经算子(NOs)提供了一个强大的计算框架来学习复杂的时空动态,作为无限维函数空间之间的映射。尽管如此,NOs主要被用作强力时间模拟和预测的替代品。它们在系统、系统级数值分析方面的潜力,如定点、稳定性和分岔分析——对于预测现实世界现象中不可逆的转变至关重要——在很大程度上仍未被探索。在此,受无方程方法的启发,我们开发了一个框架,将(局部)NOs与Krylov子空间中的迭代数值分析方法集成在一起。这种方法扩展了它们在模拟之外的潜力,可以有效地分析大型动力系统,并解决复杂系统的计算机辅助建模和数值分析中的基本挑战。此外,我们展示了学习局部时空no的效用,它与多尺度无方程方案(如投影积分、Gap-Tooth和Patch dynamics)相结合,加速了系统级计算,改善了Krylov解算器的条件调节,减少了内存需求,从而实现了复杂时空动态的高效多尺度分析。我们通过三个非线性偏微分方程(PDE)基准来说明我们的框架:一维Allen-Cahn方程,它经历了多个连接的pitchfork分岔;Liouville-Bratu-Gelfand偏微分方程,它具有鞍节点引爆点;FitzHugh-Nagumo模型,由两个耦合的偏微分方程组成,同时表现出Hopf和鞍节点分岔。超越暴力模拟,局部神经算子结合无方程方法和Krylov子空间技术,可以直接从数据中实现系统级稳定性和复杂时空系统的分岔分析。
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来源期刊
CiteScore
36.90
自引率
2.10%
发文量
127
期刊介绍: Nature Machine Intelligence is a distinguished publication that presents original research and reviews on various topics in machine learning, robotics, and AI. Our focus extends beyond these fields, exploring their profound impact on other scientific disciplines, as well as societal and industrial aspects. We recognize limitless possibilities wherein machine intelligence can augment human capabilities and knowledge in domains like scientific exploration, healthcare, medical diagnostics, and the creation of safe and sustainable cities, transportation, and agriculture. Simultaneously, we acknowledge the emergence of ethical, social, and legal concerns due to the rapid pace of advancements. To foster interdisciplinary discussions on these far-reaching implications, Nature Machine Intelligence serves as a platform for dialogue facilitated through Comments, News Features, News & Views articles, and Correspondence. Our goal is to encourage a comprehensive examination of these subjects. Similar to all Nature-branded journals, Nature Machine Intelligence operates under the guidance of a team of skilled editors. We adhere to a fair and rigorous peer-review process, ensuring high standards of copy-editing and production, swift publication, and editorial independence.
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