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

We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix derived from an implied RKHS, from which we establish consistency of the GP posterior. We further analyse the spectral properties of the induced kernels and introduce product feature-map kernels to address oversmoothing. This simple yet powerful approach enables fast, scalable, and accurate exact GP inference with minimal upfront work. The flexibility of kernel design supports seamless application to both regression and classification tasks across diverse data modalities, including tabular inputs and structured domains such as images. On benchmark datasets, this approach surpasses pre-existing methods in terms of accuracy and training and prediction efficiency.

Solving high-dimensional PDE-governed inverse problems is often challenging due to complex non-Gaussian posterior distributions, expensive forward model evaluations, and misspecified prior information. To address these issues, we propose a deep adaptive dimension-reduction Bayesian inference framework based on the Variational Flow (VF) model. Since standard normalizing flows are restricted by bijective mappings and cannot directly reduce dimensions, VF overcomes this limitation by integrating VAE-based nonlinear dimension reduction with dual normalizing flows for the latent prior and encoder. This design provides a strictly higher evidence lower bound than VAE and allows more flexible approximation of complex posterior distributions. We further introduce an iterative prior updating strategy that gradually moves the prior mean toward high-probability posterior regions, avoiding manual prior tuning. These components form a closed adaptive loop together with an adaptively fine-tuned Fourier Neural Operator (FNO) surrogate: VF generates posterior-concentrated samples to refine the surrogate, while the updated surrogate further improves posterior inference. Numerical experiments on a 100-dimensional Rosenbrock problem and three standard PDE-governed inverse problems show that our method delivers competitive or superior accuracy compared with MCMC, UKI, and SVGD baselines across all tested configurations, with the most pronounced advantages emerging in challenging scenarios such as high-noise observations and high-dimensional parameter spaces.

In the sciences, regression tasks often require predicting high-dimensional outputs from few training examples. Multi-output Gaussian processes excel in low-data regimes but typically struggle with high-dimensional outputs. Compress-then-predict pipelines such as PCA-GP (principal component analysis plus Gaussian process regression) handle high dimensionality, but rely on bases optimized for reconstruction rather than prediction. To address this gap, we propose a model that represents each output as a linear-Gaussian decoding of a low-dimensional latent state drawn from a Gaussian process prior. By analytically marginalizing the decoder weights, we couple compression and prediction in a single objective that scales to high-dimensional outputs. We refer to this model as Gaussian process latent factor regression (GPLFR). We demonstrate GPLFR by building the first spatially resolved emulator of global climate models for rocky exoplanets.