# Scalable neural network-based blackbox optimization

arXiv: https://arxiv.org/abs/2508.03827 · HTML: https://mlsanity.com/paper/2508.03827/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 22 of its 57 references that are in the map.
- First posted on arXiv 5 Aug 2025.

## Builds on (most cited first, 22 of 22)

- [Adam: A Method for Stochastic Optimization](https://mlsanity.com/paper/1412.6980/) (2014)
- [Delving Deep into Rectifiers: Surpassing Human-Level Performance on ImageNet Classification](https://mlsanity.com/paper/1502.01852/) (2015)
- [Gaussian Error Linear Units (GELUs)](https://mlsanity.com/paper/1606.08415/) (2016)
- [Neural Tangent Kernel: Convergence and Generalization in Neural Networks](https://mlsanity.com/paper/1806.07572/) (2018)
- [Deep Neural Networks as Gaussian Processes](https://mlsanity.com/paper/1711.00165/) (2017)
- [GPyTorch: Blackbox Matrix-Matrix Gaussian Process Inference with GPU Acceleration](https://mlsanity.com/paper/1809.11165/) (2018)
- [BOHB: Robust and Efficient Hyperparameter Optimization at Scale](https://mlsanity.com/paper/1807.01774/) (2018)
- [Scalable Global Optimization via Local Bayesian Optimization](https://mlsanity.com/paper/1910.01739/) (2019)
- [Scalable Bayesian Optimization Using Deep Neural Networks](https://mlsanity.com/paper/1502.05700/) (2015)
- [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)
- [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)
- [Scalable Constrained Bayesian Optimization](https://mlsanity.com/paper/2002.08526/) (2020)
- [Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspaces](https://mlsanity.com/paper/2304.11468/) (2023)
- [A Study of Bayesian Neural Network Surrogates for Bayesian Optimization](https://mlsanity.com/paper/2305.20028/) (2023)
- [NOMU: Neural Optimization-based Model Uncertainty](https://mlsanity.com/paper/2102.13640/) (2021)
- [Neural-BO: A Black-box Optimization Algorithm using Deep Neural Networks](https://mlsanity.com/paper/2303.01682/) (2023)

## Abstract (arXiv)

Bayesian Optimization (BO) is a widely used approach for blackbox optimization that leverages a Gaussian process (GP) model and an acquisition function to guide future sampling. While effective in low-dimensional settings, BO faces scalability challenges in high-dimensional spaces and with large number of function evaluations due to the computational complexity of GP models. In contrast, neural networks (NNs) offer better scalability and can model complex functions, which led to the development of NN-based BO approaches. However, these methods typically rely on estimating model uncertainty in NN prediction -- a process that is often computationally intensive and complex, particularly in high dimensions. To address these limitations, a novel method, called scalable neural network-based blackbox optimization (SNBO), is proposed that does not rely on model uncertainty estimation. Specifically, SNBO adds new samples using separate criteria for exploration and exploitation, while adaptively controlling the sampling region to ensure efficient optimization. SNBO is evaluated on a range of optimization problems spanning from 10 to 102 dimensions and compared against four state-of-the-art baseline algorithms. Across the majority of test problems, SNBO attains function values better than the best-performing baseline algorithm, while requiring 40-60% fewer function evaluations and reducing the runtime by at least an order of magnitude.