arXiv:2506.06858cs.LGcs.AI2025-06被引 1

用自适应注意力机制提升科学模拟的可解释性与效率

FA-INR: Adaptive Implicit Neural Representations for Interpretable Exploration of Simulation Ensembles

  • 通过可学习记忆库的交叉注意力动态分配模型能力
  • 引入坐标引导的专家混合框架,提升计算效率与特征专属性
  • 专家划分结果可解释,支持局部参数敏感性分析

代理模型对高效探索大规模模拟集合至关重要。隐式神经表示(INRs)为结构化空间数据提供了紧凑连续的建模框架,但常难以捕捉科学场中的复杂局部结构。现有基于INR的代理模型通过显式特征结构增强性能,却牺牲灵活性并带来显著内存开销。本文提出特征自适应隐式神经表示(FA-INR),一种用于高保真、可解释模拟集合探索的自适应INR代理模型。不同于依赖结构化特征表示的方法,FA-INR利用可学习键值记忆库上的交叉注意力,根据数据特性自适应分配模型容量。为进一步提升可扩展性,引入坐标引导的专家混合(MoE)框架,增强特征表示的效率与专业化。更重要的是,学习到的专家产生对模拟域的可解释划分,使科学家能够识别复杂结构并开展局部参数空间探索。除了定量与定性评估外,我们还证明所学专家专属性可揭示有意义的科学洞见,并支持局部敏感性分析。

原文摘要 · Abstract (English)

Surrogate models are essential for efficient exploration of large-scale ensemble simulations. Implicit neural representations (INRs) provide a compact and continuous framework for modeling spatially structured data, but they often struggle with learning complex localized structures within the scientific fields. Recent INR-based surrogates address this by augmenting INRs with explicit feature structures, but at the cost of flexibility and substantial memory overhead. In this paper, we present Feature-Adaptive INR (FA-INR), an adaptive INR-based surrogate model for high-fidelity and interpretable exploration of ensemble simulations. Instead of relying on structured feature representations, FA-INR leverages cross-attention over a learnable key-value memory bank to allocate model capacity adaptively based on the data characteristics. To further improve scalability, we introduce a coordinate-guided mixture of experts (MoE) framework that enhances both efficiency and specialization of feature representations. More importantly, the learned experts produce an interpretable partition over the simulation domain, enabling scientists to identify complex structures and perform localized parameter-space exploration. Beyond quantitative and qualitative evaluations, we also demonstrate that our learned expert specialization can reveal meaningful scientific insights and support localized sensitivity analysis.

隐式神经表示科学模拟可解释性专家混合

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