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.
arXiv:2507. 13263v4 Announce Type: replace-cross Abstract: Bayesian Optimization (BO) is a powerful tool for black-box optimization, but its application to high-dimensional permutation spaces is severely limited by the challenge of defining scalable representations.
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.
arXiv:2608. 12687v1 Announce Type: new Abstract: Bayesian optimization (BO) is a sample-efficient framework for analog circuit topology search, where evaluating each candidate topology can require costly simulation.
Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensionality inherent in complex design spaces. To address...
arXiv:2609.17440v1 Announce Type: new Abstract: Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensional...
arXiv:2607. 19031v1 Announce Type: new Abstract: Automated algorithm selection in black-box optimization typically relies on supervised models that map landscape features to algorithm performance labels.
arXiv:2607. 23404v1 Announce Type: new Abstract: Self-driving laboratories increasingly rely on multi-fidelity Bayesian optimization (MFBO) to balance cheap, approximate evaluations against scarce, expensive ones, with a predictive surrogate at its core.
arXiv:2511. 16340v2 Announce Type: replace Abstract: Efficient Gaussian process (GP) inference is critical for sequential decision-making tasks such as active learning, online prediction, and Bayesian optimization.
arXiv:2506. 03672v2 Announce Type: replace-cross Abstract: Combinatorial Optimization problems are widespread in domains such as logistics, manufacturing, and drug discovery, yet their NP-hard nature makes them computationally challenging.
arXiv:2607. 23480v1 Announce Type: new Abstract: Variational autoencoders (VAEs) transform high-dimensional, often noisy data into a compact latent representation, making downstream optimization more tractable.
The paper introduces Gradient-based Sample Selection Bayesian Optimization (GSSBO), a method that builds the Gaussian process surrogate on a strategically chosen subset of samples rather than the full dataset. By using gradient information to eliminate redundant points while keeping diversity and representativeness, GSSBO achieves sublinear regret bounds and reduces the cubic computational cost of standard BO. Experiments on synthetic and real-world tasks show that this approach maintains comparable optimization performance while significantly cutting GP fitting time and resource usage.
arXiv:2606. 30523v1 Announce Type: new Abstract: Covariance matrices serve as compact descriptors of feature distributions in many machine-learning pipelines, including domain adaptation and Gaussian embeddings.