arXiv Machine Learning

A Bayesian Framework for Built-in Input Dimension Reduction for Gaussian Process Modeling

arXiv:2607. 19498v1 Announce Type: cross Abstract: Gaussian process (GP) modeling is widely used in computational science and engineering.

arXiv Machine Learning
Sep 14

Nonlinear Dimensionality Reduction Techniques for Bayesian Optimization

The paper investigates nonlinear dimensionality reduction for Bayesian optimisation (BO) by transforming high‑dimensional black‑box optimisation problems into a sequence of low‑dimensional latent‑space BO (LSBO) tasks. It extends earlier linear embedding approaches by using variational autoencoders (VAEs), deep metric loss, and adaptive retraining to better capture nonlinear structure, and couples LSBO with sequential domain reduction (SDR‑LSBO) to progressively narrow search domains. Experiments on GPU‑accelerated BoTorch with Matérn‑5/2 Gaussian‑process surrogates show that VAE‑based LSBO outperforms adaptive linear embeddings, and the authors provide a theoretical analysis of latent‑space error versus representation gap under PAC‑Bayes conditions.

By Luo Long, Coralia Cartis, Paz Fink Shustin
arXiv Machine Learning
Sep 17

A General Kernel Framework for Non-CND Distance Measures Using |D|-Dimensional Sparse Landmark Embeddings

The paper introduces the Sparse Landmark Embedding (SLE) kernel, a new framework that removes the need for conditionally negative definite (CND) distance measures in kernel methods and Gaussian Processes. By embedding each input into a sparse feature vector using compactly supported bump functions centered at all training points, any standard positive semi-definite (PSD) kernel can be applied in this embedding space, guaranteeing PSD for arbitrary distance measures. The authors provide theoretical guarantees on PSD, sparsity, stability, and universal approximation, and show through experiments with geodesic and Wasserstein distances that the SLE kernel matches or surpasses domain-specific baselines in predictive accuracy and uncertainty quantification.

By Marcus M. Noack, Maher B. Alghalayini, Mark D. Risser
arXiv AI
6d ago

Adaptive multi-resolution Gaussian processes: Scalable exact inference with naturally data-sparse covariance matrices

The paper introduces an adaptive multi‑resolution Gaussian process framework that achieves scalable, exact inference by constructing a naturally data‑sparse covariance matrix using basis functions anchored directly to samples. By shrinking the support domains of these basis functions, the resulting matrix has limited block sizes, ensuring sparsity and enabling efficient computation of its inverse via a sparse Cholesky algorithm. The authors demonstrate that this approach yields exact inference with training cost ≠≠ O(n log^2 n) and prediction cost ≠≠ O(log^d n), while also improving predictive uncertainties through an augmented basis function.

By Yanchuang Cao, Jun Liu, Tengchao Yu, Heng Yong