arXiv Machine Learning By Sofianos Panagiotis Fotias, Vassilis Gaganis

Inducing Permutation Invariant Priors in Bayesian Optimization for Carbon Capture and Storage Applications

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The paper introduces a new Gaussian Process kernel, GP‑Perm, that incorporates permutation invariance for Bayesian Optimization tasks involving well placement in Carbon Capture and Storage (CCS) projects. It compares sets via a stable divergence between their empirical representations and can be combined with standard kernels for additional inputs. The authors also explore a Deep Kernel Learning model using a Deep Sets architecture as a learned invariant baseline, evaluating both approaches on eight use cases, including seven synthetic benchmarks and a realistic CCS case study in the Johansen formation.

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arXiv Machine Learning
4d ago

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