Autoencoders for discovering manifold dimension and coordinates in data from complex dynamical systems

IF 6.3 2区 物理与天体物理 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Machine Learning Science and Technology Pub Date : 2024-05-29 DOI:10.1088/2632-2153/ad4ba5
Kevin Zeng, Carlos E Pérez De Jesús, Andrew J Fox and Michael D Graham
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Abstract

While many phenomena in physics and engineering are formally high-dimensional, their long-time dynamics often live on a lower-dimensional manifold. The present work introduces an autoencoder framework that combines implicit regularization with internal linear layers and L2 regularization (weight decay) to automatically estimate the underlying dimensionality of a data set, produce an orthogonal manifold coordinate system, and provide the mapping functions between the ambient space and manifold space, allowing for out-of-sample projections. We validate our framework’s ability to estimate the manifold dimension for a series of datasets from dynamical systems of varying complexities and compare to other state-of-the-art estimators. We analyze the training dynamics of the network to glean insight into the mechanism of low-rank learning and find that collectively each of the implicit regularizing layers compound the low-rank representation and even self-correct during training. Analysis of gradient descent dynamics for this architecture in the linear case reveals the role of the internal linear layers in leading to faster decay of a ‘collective weight variable’ incorporating all layers, and the role of weight decay in breaking degeneracies and thus driving convergence along directions in which no decay would occur in its absence. We show that this framework can be naturally extended for applications of state-space modeling and forecasting by generating a data-driven dynamic model of a spatiotemporally chaotic partial differential equation using only the manifold coordinates. Finally, we demonstrate that our framework is robust to hyperparameter choices.
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发现复杂动力系统数据中流形维度和坐标的自动编码器
虽然物理学和工程学中的许多现象在形式上都是高维的,但它们的长期动态变化往往是在低维流形上进行的。本研究介绍了一种自动编码器框架,它将隐式正则化与内部线性层和 L2 正则化(权重衰减)相结合,自动估算数据集的底层维度,生成正交流形坐标系,并提供环境空间与流形空间之间的映射函数,从而实现样本外投影。我们验证了我们的框架估算流形维度的能力,并与其他最先进的估算器进行了比较。我们分析了网络的训练动态,以深入了解低秩学习的机制,并发现每个隐式正则化层都在集体地复合低秩表示,甚至在训练过程中进行自我修正。对线性情况下该架构的梯度下降动态分析揭示了内部线性层在导致包含所有层的 "集体权重变量 "更快衰减中的作用,以及权重衰减在打破退化中的作用,从而推动沿着没有衰减时不会发生的方向收敛。我们展示了这一框架可以自然地扩展到状态空间建模和预测的应用中,只需使用流形坐标就能生成时空混沌偏微分方程的数据驱动动态模型。最后,我们证明了我们的框架对超参数选择的鲁棒性。
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来源期刊
Machine Learning Science and Technology
Machine Learning Science and Technology Computer Science-Artificial Intelligence
CiteScore
9.10
自引率
4.40%
发文量
86
审稿时长
5 weeks
期刊介绍: Machine Learning Science and Technology is a multidisciplinary open access journal that bridges the application of machine learning across the sciences with advances in machine learning methods and theory as motivated by physical insights. Specifically, articles must fall into one of the following categories: advance the state of machine learning-driven applications in the sciences or make conceptual, methodological or theoretical advances in machine learning with applications to, inspiration from, or motivated by scientific problems.
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