提出高效计算的核距离方法,提升分布比较与统计推断精度
Scalable Kernel-Based Distances for Statistical Inference and Integration
- 改进MMD估计,提升模拟推断中的分布距离计算精度
- 提出基于核的分位数差异度量,克服传统MMD局限性
- 适合从事统计推断、生成模型与分布比较的研究者参考
概率分布的表示、比较与距离度量是计算统计与机器学习中的关键任务。核方法提供灵活的希尔伯特空间表示,通过核函数选择可编码鲁棒性或光滑性等性质,并以非参数方式高效估计相关距离。最大均值差异(MMD)因其计算可处理性受到广泛关注。本文系统研究核距离的高效计算,核心贡献集中在第3至第6章。第一部分聚焦MMD:第3章提出理论可靠的改进型MMD估计器;第4章构建基于MMD的条件期望估计器;第5章研究积分任务中应用MMD时的校准问题。第二部分受核嵌入扩展启发,提出一类新型核分位数差异度量,理论上和实验上均表明其在性能上可媲美甚至优于MMD及其快速近似方法。最后讨论了论文的普遍启示与未来方向。
原文摘要 · Abstract (English)
Representing, comparing, and measuring the distance between probability distributions is a key task in computational statistics and machine learning. The choice of representation and the associated distance determine properties of the methods in which they are used: for example, certain distances can allow one to encode robustness or smoothness of the problem. Kernel methods offer flexible and rich Hilbert space representations of distributions that allow the modeller to enforce properties through the choice of kernel, and estimate associated distances at efficient nonparametric rates. In particular, the maximum mean discrepancy (MMD), a kernel-based distance constructed by comparing Hilbert space mean functions, has received significant attention due to its computational tractability and is favoured by practitioners. In this thesis, we conduct a thorough study of kernel-based distances with a focus on efficient computation, with core contributions in Chapters 3 to 6. Part I of the thesis is focused on the MMD, specifically on improved MMD estimation. In Chapter 3 we propose a theoretically sound, improved estimator for MMD in simulation-based inference. Then, in Chapter 4, we propose an MMD-based estimator for conditional expectations, a ubiquitous task in statistical computation. Closing Part I, in Chapter 5 we study the problem of calibration when MMD is applied to the task of integration. In Part II, motivated by the recent developments in kernel embeddings beyond the mean, we introduce a family of novel kernel-based discrepancies: kernel quantile discrepancies. These address some of the pitfalls of MMD, and are shown through both theoretical results and an empirical study to offer a competitive alternative to MMD and its fast approximations. We conclude with a discussion on broader lessons and future work emerging from the thesis.
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