arXiv:2409.03231cs.LGcs.NA2024-09被引 39

用Mamba状态空间模型提升动态系统预测的精度与效率

State-space models are accurate and efficient neural operators for dynamical systems

  • 采用Mamba架构捕捉长期依赖,通过重参数化提升计算效率
  • 在插值与外推任务中均优于11个基线模型,计算开销最低
  • 适合科学机器学习、药物疗效预测等数据稀缺场景

物理信息机器学习(PIML)为动态系统预测提供了比传统方法更快、更通用的替代方案。然而,现有模型如循环神经网络(RNN)、Transformer和神经算子面临长时间积分、长程依赖、混沌动力学及外推等挑战。为此,本文引入基于Mamba的状态空间模型,用于高精度、高效率的动态系统算子学习。Mamba通过重参数化技术动态捕捉长程依赖,显著提升计算效率。我们构建了多个严格的外推测试基准,超越标准插值评估。实验表明,Mamba在插值与复杂外推任务中均表现优异,持续位列前列且计算成本最低,具备出色的外推能力。此外,在有限数据下的肿瘤生长药物疗效评估这一真实世界应用中也展现出良好性能。结果表明,Mamba是推动科学机器学习在动态系统建模中发展的有力工具。

原文摘要 · Abstract (English)

Physics-informed machine learning (PIML) has emerged as a promising alternative to classical methods for predicting dynamical systems, offering faster and more generalizable solutions. However, existing models, including recurrent neural networks (RNNs), transformers, and neural operators, face challenges such as long-time integration, long-range dependencies, chaotic dynamics, and extrapolation, to name a few. To this end, this paper introduces state-space models implemented in Mamba for accurate and efficient dynamical system operator learning. Mamba addresses the limitations of existing architectures by dynamically capturing long-range dependencies and enhancing computational efficiency through reparameterization techniques. To extensively test Mamba and compare against another 11 baselines, we introduce several strict extrapolation testbeds that go beyond the standard interpolation benchmarks. We demonstrate Mamba's superior performance in both interpolation and challenging extrapolation tasks. Mamba consistently ranks among the top models while maintaining the lowest computational cost and exceptional extrapolation capabilities. Moreover, we demonstrate the good performance of Mamba for a real-world application in quantitative systems pharmacology for assessing the efficacy of drugs in tumor growth under limited data scenarios. Taken together, our findings highlight Mamba's potential as a powerful tool for advancing scientific machine learning in dynamical systems modeling. (The code will be available at https://github.com/zheyuanhu01/State_Space_Model_Neural_Operator upon acceptance.)

状态空间模型动态系统科学机器学习Mamba

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