arXiv AI

From Sorting Algorithms to Scalable Kernels: Bayesian Optimization in High-Dimensional Permutation Spaces

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.

arXiv Machine Learning
Sep 7

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

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.

By Sofianos Panagiotis Fotias, Vassilis Gaganis
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
Jun 30

BaRA: Bayesian Adaptive Rank Allocation for Parameter-Efficient Fine-Tuning

arXiv:2606. 29184v1 Announce Type: new Abstract: While Low-rank adaptation (LoRA) enables highly efficient fine-tuning by constraining task-specific updates to fixed low-rank subspaces, this rigid design limits representational flexibility and often results in overconfident predictions and miscalibrated uncertainty, especially in low-data regimes.

By Zhibin Duan, Yuhong Wang, Jiahong Fu, Zongsheng Yue, Bo Chen, Zongben Xu
arXiv Machine Learning
Sep 14

Dual-guided Hierarchical Edge Localization for Large-scale Optimal Transport Across Dimensions

The paper introduces HELLO, a hierarchical solver for large‑scale discrete optimal transport that reduces the problem to edge localization guided by dual potentials. HELLO uses a coarse‑to‑fine initialization across a recursive subsampling hierarchy and a refinement step that inserts the largest dual violators until a KKT residual tolerance is met, achieving linear memory usage. Experiments show that HELLO outperforms strong baselines by an order of magnitude in runtime while attaining lower transport objectives, and it scales to over a million samples in high‑dimensional settings, supporting various OT variants.

By Wenzhou Xia, Qiaoqiao Ding, Jingwei Liang, Xiaoqun Zhang
arXiv AI
Aug 6

Out-Of-The-Loop Multi-Fidelity Bayesian Optimization

arXiv:2608. 04113v1 Announce Type: cross Abstract: Black-box optimization is a ubiquitous problem in science and engineering, often dealing with expensive objective functions with cheaper lower-fidelity proxies available.

By Gustavo Sutter, Hao Wang, Luis Ricardez-Sandoval, Pascal Poupart, Agustinus Kristiadi