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: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.
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.
arXiv:2607. 01275v1 Announce Type: cross Abstract: Variational Autoencoders (VAEs) commonly assume a standard isotropic Gaussian prior over the latent space, an assumption that often fails to capture the true distribution of latent representations for complex datasets.
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:2410. 10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds.
arXiv:2606. 09664v1 Announce Type: new Abstract: Bayesian optimization (BO) is a central tool for sample-efficient design, and latent-space Bayesian optimization (LSBO) extends it to structured objects such as molecules and proteins.
arXiv:2606. 07841v1 Announce Type: cross Abstract: Black-box variational inference (BBVI) is a methodology for posterior approximation that relies on stochastic optimization.
The paper introduces Finite-Library Input-Warped Bayesian Optimization (FLIWBO), a method that selects input warps from a finite library to adapt the geometry used by Gaussian‑process Bayesian optimization. FLIWBO maintains high‑probability convergence guarantees while improving sample efficiency on problems where raw coordinates poorly match the objective’s geometry, such as log‑scaled hyperparameters or localized peaks. Experiments on synthetic benchmarks, Fashion‑MNIST hyperparameter tuning, and a 20‑dimensional multi‑agent system design demonstrate that FLIWBO‑UCB outperforms raw‑coordinate GP‑UCB and other methods with regret guarantees, especially under misspecified geometry.
arXiv:2607. 19498v1 Announce Type: cross Abstract: Gaussian process (GP) modeling is widely used in computational science and engineering.
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:2607. 29225v1 Announce Type: new Abstract: Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance.
arXiv:2607. 22004v1 Announce Type: new Abstract: Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain.