用深度学习直接预测非欧空间输出,不依赖嵌入或参数假设
End-to-End Deep Learning for Predicting Metric Space-Valued Outputs
- 通过神经网络学习输入对应的加权弗雷歇均值进行预测
- 在概率分布、网络、对称正定矩阵上表现优于现有方法
- 适合处理复杂结构化输出,尤其样本量大时优势明显
许多现代应用需要预测结构化的非欧几里得输出,如概率分布、网络和对称正定矩阵。这些输出天然属于一般度量空间,传统依赖向量空间结构的回归方法不再适用。我们提出E2M(端到端度量回归)框架,通过条件于输入的神经网络学习训练输出的加权弗雷歇均值来实现预测。该方法提供几何感知的建模机制,避免了代理嵌入和限制性参数假设,同时完全保留输出空间的内在几何结构。我们建立了理论保证,包括刻画模型表达能力的通用逼近定理和熵正则化训练目标的收敛分析。在概率分布、网络和对称正定矩阵的大量模拟实验中,E2M持续达到最先进性能,且样本量越大优势越显著。在人类死亡率分布和纽约市出租车网络的应用中进一步验证了该框架的灵活性与实用性。
原文摘要 · Abstract (English)
Many modern applications involve predicting structured, non-Euclidean outputs such as probability distributions, networks, and symmetric positive-definite matrices. These outputs are naturally modeled as elements of general metric spaces, where classical regression techniques that rely on vector space structure no longer apply. We introduce E2M (End-to-End Metric regression), a deep learning framework for predicting metric space-valued outputs. E2M performs prediction via weighted Fréchet means over training outputs, where the weights are learned by a neural network conditioned on the input. This construction provides a principled mechanism for geometry-aware prediction that avoids surrogate embeddings and restrictive parametric assumptions, while fully preserving the intrinsic geometry of the output space. We establish theoretical guarantees, including a universal approximation theorem that characterizes the expressive capacity of the model and a convergence analysis of the entropy-regularized training objective. Through extensive simulations involving probability distributions, networks, and symmetric positive-definite matrices, we show that E2M consistently achieves state-of-the-art performance, with its advantages becoming more pronounced at larger sample sizes. Applications to human mortality distributions and New York City taxi networks further demonstrate the flexibility and practical utility of this framework.
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