# We Still Don't Understand High-Dimensional Bayesian Optimization

arXiv: https://arxiv.org/abs/2512.00170 · HTML: https://mlsanity.com/paper/2512.00170/

## Key facts

- Cited by 12 papers in the map (data through 14 Oct 2026).
- Builds on 38 of its 60 references that are in the map.
- First posted on arXiv 28 Nov 2025.

## Builds on (most cited first, 30 of 38)

- [GPyTorch: Blackbox Matrix-Matrix Gaussian Process Inference with GPU Acceleration](https://mlsanity.com/paper/1809.11165/) (2018)
- [Gaussian Processes for Big Data](https://mlsanity.com/paper/1309.6835/) (2013)
- [Scalable Global Optimization via Local Bayesian Optimization](https://mlsanity.com/paper/1910.01739/) (2019)
- [GuacaMol: Benchmarking Models for De Novo Molecular Design](https://mlsanity.com/paper/1811.09621/) (2018)
- [Bayesian Optimization in a Billion Dimensions via Random Embeddings](https://mlsanity.com/paper/1301.1942/) (2013)
- [Unexpected Improvements to Expected Improvement for Bayesian Optimization](https://mlsanity.com/paper/2310.20708/) (2023)
- [High-Dimensional Bayesian Optimization with Sparse Axis-Aligned Subspaces](https://mlsanity.com/paper/2103.00349/) (2021)
- [High Dimensional Bayesian Optimisation and Bandits via Additive Models](https://mlsanity.com/paper/1503.01673/) (2015)
- [Efficiently Sampling Functions from Gaussian Process Posteriors](https://mlsanity.com/paper/2002.09309/) (2020)
- [Batched Large-scale Bayesian Optimization in High-dimensional Spaces](https://mlsanity.com/paper/1706.01445/) (2017)
- [Re-Examining Linear Embeddings for High-Dimensional Bayesian Optimization](https://mlsanity.com/paper/2001.11659/) (2020)
- [Vanilla Bayesian Optimization Performs Great in High Dimensions](https://mlsanity.com/paper/2402.02229/) (2024)
- [Learning Search Space Partition for Black-box Optimization using Monte Carlo Tree Search](https://mlsanity.com/paper/2007.00708/) (2020)
- [Local Latent Space Bayesian Optimization over Structured Inputs](https://mlsanity.com/paper/2201.11872/) (2022)
- [Parallel and Distributed Thompson Sampling for Large-scale Accelerated Exploration of Chemical Space](https://mlsanity.com/paper/1706.01825/) (2017)
- [Adaptive and Safe Bayesian Optimization in High Dimensions via One-Dimensional Subspaces](https://mlsanity.com/paper/1902.03229/) (2019)
- [BOCK : Bayesian Optimization with Cylindrical Kernels](https://mlsanity.com/paper/1806.01619/) (2018)
- [High-Dimensional Bayesian Optimization via Additive Models with Overlapping Groups](https://mlsanity.com/paper/1802.07028/) (2018)
- [Think Global and Act Local: Bayesian Optimisation over High-Dimensional Categorical and Mixed Search Spaces](https://mlsanity.com/paper/2102.07188/) (2021)
- [Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspaces](https://mlsanity.com/paper/2304.11468/) (2023)
- [LassoBench: A High-Dimensional Hyperparameter Optimization Benchmark Suite for Lasso](https://mlsanity.com/paper/2111.02790/) (2021)
- [High Dimensional Bayesian Optimization Using Dropout](https://mlsanity.com/paper/1802.05400/) (2018)
- [Scalable Thompson Sampling using Sparse Gaussian Process Models](https://mlsanity.com/paper/2006.05356/) (2020)
- [Local policy search with Bayesian optimization](https://mlsanity.com/paper/2106.11899/) (2021)
- [Monte Carlo Tree Search based Variable Selection for High Dimensional Bayesian Optimization](https://mlsanity.com/paper/2210.01628/) (2022)
- [Are Random Decompositions all we need in High Dimensional Bayesian Optimisation?](https://mlsanity.com/paper/2301.12844/) (2023)
- [Standard Gaussian Process is All You Need for High-Dimensional Bayesian Optimization](https://mlsanity.com/paper/2402.02746/) (2024)
- [Inducing Point Allocation for Sparse Gaussian Processes in High-Throughput Bayesian Optimisation](https://mlsanity.com/paper/2301.10123/) (2023)
- [Local Bayesian optimization via maximizing probability of descent](https://mlsanity.com/paper/2210.11662/) (2022)
- [Bounce: Reliable High-Dimensional Bayesian Optimization for Combinatorial and Mixed Spaces](https://mlsanity.com/paper/2307.00618/) (2023)

## Built on by (most cited first, 12 of 12)

- [Rethinking Trust Region Bayesian Optimization in High Dimensions](https://mlsanity.com/paper/2604.22967/) (2026)
- [Automated Kernel Discovery Towards Understanding High-dimensional Bayesian Optimization](https://mlsanity.com/paper/2605.20249/) (2026)
- [Search at the Cost of Sampling: Nearly-Instant Latent Space Bayesian Optimization](https://mlsanity.com/paper/2609.19476/) (2026)
- [Weighted Wasserstein Barycenter of Gaussian Processes for exotic Bayesian Optimization tasks](https://mlsanity.com/paper/2602.09181/) (2026)
- [Gradient-Informed Bayesian and Interior Point Optimization for Efficient Inverse Design in Nanophotonics](https://mlsanity.com/paper/2602.18148/) (2026)
- [GRAPE: Gradient Refinement and Progress-Aware Exploitation for Query-Efficient High-Dimensional Bayesian Optimization](https://mlsanity.com/paper/2608.25116/) (2026)
- [Converge Then Diversify: Decoupling Convergence and Diversity in Multi-Objective Bayesian Optimisation](https://mlsanity.com/paper/2609.13396/) (2026)
- [Bayesian Optimization with Fisher Information Geometry: Gradient Bounds and Trust-Region Methods](https://mlsanity.com/paper/2609.31107/) (2026)
- [Isotropic Gaussian Processes Improve Vanilla Bayesian Optimization in High Dimensions](https://mlsanity.com/paper/2610.05780/) (2026)
- [Bayesian Optimization on Function Spaces via Sparse RKHS Manifolds](https://mlsanity.com/paper/2610.07417/) (2026)
- [Bayesian Optimisation under State-Preservation Constraints](https://mlsanity.com/paper/2610.12150/) (2026)
- [Understanding Hidden Spatial Preferences in Bayesian Optimization](https://mlsanity.com/paper/2610.14696/) (2026)

## Abstract (arXiv)

Existing high-dimensional Bayesian optimization (BO) methods aim to overcome the curse of dimensionality by carefully encoding structural assumptions, from locality to sparsity to smoothness, into the optimization procedure. Surprisingly, we demonstrate that these approaches are outperformed by arguably the simplest method imaginable: Bayesian linear regression. After applying a geometric transformation to avoid boundary-seeking behavior, Gaussian processes with linear kernels match state-of-the-art performance on tasks with 60- to 6,000-dimensional search spaces. Linear models offer numerous advantages over their non-parametric counterparts: they afford closed-form sampling and their computation scales linearly with data, a fact we exploit on molecular optimization tasks with >20,000 observations. Coupled with empirical analyses, our results suggest the need to depart from past intuitions about BO methods in high-dimensions.