让高斯过程在大规模数据上高效运行,突破传统结构限制。
Scalable Gaussian Processes with Latent Kronecker Structure
- 用潜在克罗内克结构建模核矩阵,适应缺失数据
- 在五百万样本数据上实现精确推断,速度优于主流方法
- 适合机器人、气候等真实世界大数据场景
高斯过程在处理超大规模数据时仍面临计算可扩展性挑战。虽然克罗内克积等矩阵结构能显著加速运算,但其应用通常依赖近似或不切实际的假设。现有方法多基于格点输入的笛卡尔积构造克罗内克结构核矩阵,一旦存在缺失观测,该结构即被破坏——这在真实时间序列等数据中极为常见。为此,我们提出利用潜在克罗内克结构,将观测值的核矩阵表示为一个潜在克罗内克积的投影。结合迭代线性系统求解器与路径条件化,本方法可在保持高斯过程精确性的前提下,大幅降低计算资源消耗。实验表明,在包含机器人、自动化机器学习和气候数据等真实场景中,该方法在高达五百万样本的数据集上,性能优于当前最先进的稀疏与变分高斯过程方法。
原文摘要 · Abstract (English)
Applying Gaussian processes (GPs) to very large datasets remains a challenge due to limited computational scalability. Matrix structures, such as the Kronecker product, can accelerate operations significantly, but their application commonly entails approximations or unrealistic assumptions. In particular, the most common path to creating a Kronecker-structured kernel matrix is by evaluating a product kernel on gridded inputs that can be expressed as a Cartesian product. However, this structure is lost if any observation is missing, breaking the Cartesian product structure, which frequently occurs in real-world data such as time series. To address this limitation, we propose leveraging latent Kronecker structure, by expressing the kernel matrix of observed values as the projection of a latent Kronecker product. In combination with iterative linear system solvers and pathwise conditioning, our method facilitates inference of exact GPs while requiring substantially fewer computational resources than standard iterative methods. We demonstrate that our method outperforms state-of-the-art sparse and variational GPs on real-world datasets with up to five million examples, including robotics, automated machine learning, and climate applications.
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