HPO-B: A Large-Scale Reproducible Benchmark for Black-Box HPO based on OpenML
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Abstract (arXiv)
Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of recent related works have focused on the direction of transfer learning for quickly fine-tuning hyperparameters on a dataset. Unfortunately, the community does not have a common large-scale benchmark for comparing HPO algorithms. Instead, the de facto practice consists of empirical protocols on arbitrary small-scale meta-datasets that vary inconsistently across publications, making reproducibility a challenge. To resolve this major bottleneck and enable a fair and fast comparison of black-box HPO methods on a level playing field, we propose HPO-B, a new large-scale benchmark in the form of a collection of meta-datasets. Our benchmark is assembled and preprocessed from the OpenML repository and consists of 176 search spaces (algorithms) evaluated sparsely on 196 datasets with a total of 6.4 million hyperparameter evaluations. For ensuring reproducibility on our benchmark, we detail explicit experimental protocols, splits, and evaluation measures for comparing methods for both non-transfer, as well as, transfer learning HPO.
Key facts. Cited by 75 papers in the map (data through 7 Oct 2026). Builds on 14 of its 47 references that are in the map. First posted on arXiv 11 Jun 2021.
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14 of 47 references.
References · 14
- 2016XGBoost: A Scalable Tree Boosting Systemcited by 5,120
- 2016Hyperband: A Novel Bandit-Based Approach to Hyperparameter Optimizationcited by 688
- 2014OpenML: networked science in machine learningcited by 523
- 2020NAS-Bench-201: Extending the Scope of Reproducible Neural Architecture Searchcited by 412
- 2019NAS-Bench-101: Towards Reproducible Neural Architecture Searchcited by 340
- 2015Scalable Bayesian Optimization Using Deep Neural Networkscited by 284
- 2019Meta-Learning Acquisition Functions for Transfer Learning in Bayesian Optimizationcited by 70
- 2021Few-Shot Bayesian Optimization with Deep Kernel Surrogatescited by 70
- 2019OpenML-Python: an extensible Python API for OpenMLcited by 62
- 2019Learning search spaces for Bayesian optimization: Another view of hyperparameter transfer learningcited by 50
- 2019Dataset2Vec: Learning Dataset Meta-Featurescited by 37
- 2019Hyp-RL : Hyperparameter Optimization by Reinforcement Learningcited by 36
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Citing papers per year: 2021: 5; 2022: 7; 2023: 14; 2024: 16; 2025: 18; 2026: 15.
75 papers.
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- 2021Hyperparameter Optimization: Foundations, Algorithms, Best Practices and Open Challengescited by 143
- 2024Large Language Models to Enhance Bayesian Optimizationcited by 127
- 2021HPOBench: A Collection of Reproducible Multi-Fidelity Benchmark Problems for HPOcited by 111
- 2022Towards Learning Universal Hyperparameter Optimizers with Transformerscited by 81
- 2023PFNs4BO: In-Context Learning for Bayesian Optimizationcited by 70
- 2023MLCopilot: Unleashing the Power of Large Language Models in Solving Machine Learning Taskscited by 66
- 2021Pre-trained Gaussian Processes for Bayesian Optimizationcited by 63
- 2021YAHPO Gym -- An Efficient Multi-Objective Multi-Fidelity Benchmark for Hyperparameter Optimizationcited by 61
- 2022AMLB: an AutoML Benchmarkcited by 55
- 2024LLaMoCo: Instruction Tuning of Large Language Models for Optimization Code Generationcited by 45
- 2021LassoBench: A High-Dimensional Hyperparameter Optimization Benchmark Suite for Lassocited by 41
- 2022NAS-Bench-Suite: NAS Evaluation is (Now) Surprisingly Easycited by 36
38 more
- 2023Discovering Attention-Based Genetic Algorithms via Meta-Black-Box Optimizationcited by 33
- 2023End-to-End Meta-Bayesian Optimisation with Transformer Neural Processescited by 31
- 2024Symbol: Generating Flexible Black-Box Optimizers through Symbolic Equation Learningcited by 22
- 2024Amortized Bayesian Experimental Design for Decision-Makingcited by 20
- 2023Quick-Tune: Quickly Learning Which Pretrained Model to Finetune and Howcited by 17
- 2023Framework and Benchmarks for Combinatorial and Mixed-variable Bayesian Optimizationcited by 15
- 2024ConfigX: Modular Configuration for Evolutionary Algorithms via Multitask Reinforcement Learningcited by 15
- 2025Adaptive Kernel Design for Bayesian Optimization Is a Piece of CAKE with LLMscited by 15
- 2024Reinforced In-Context Black-Box Optimizationcited by 14
- 2024Offline Multi-Objective Optimizationcited by 14
- 2022Zero-Shot AutoML with Pretrained Modelscited by 13
- 2026The Last Human-Written Paper: Agent-Native Research Artifactscited by 12
- 2023Transfer Learning for Bayesian Optimization on Heterogeneous Search Spacescited by 9
- 2025MetaBox-v2: A Unified Benchmark Platform for Meta-Black-Box Optimizationcited by 9
- 2025ALINE: Joint Amortization for Bayesian Inference and Active Data Acquisitioncited by 8
- 2024Reshuffling Resampling Splits Can Improve Generalization of Hyperparameter Optimizationcited by 7
- 2024Monte Carlo Tree Search based Space Transfer for Black-box Optimizationcited by 7
- 2025PABBO: Preferential Amortized Black-Box Optimizationcited by 7
- 2022FedHPO-B: A Benchmark Suite for Federated Hyperparameter Optimizationcited by 6
- 2022Task Selection for AutoML System Evaluationcited by 6
- 2024EARL-BO: Reinforcement Learning for Multi-Step Lookahead, High-Dimensional Bayesian Optimizationcited by 6
- 2025Instance Generation for Meta-Black-Box Optimization through Latent Space Reverse Engineeringcited by 6
- 2023Deep Ranking Ensembles for Hyperparameter Optimizationcited by 5
- 2025Dimension Agnostic Neural Processescited by 5
- 2025DesignX: Human-Competitive Algorithm Designer for Black-Box Optimizationcited by 5
- 2022HyperBO+: Pre-training a universal prior for Bayesian optimization with hierarchical Gaussian processescited by 4
- 2023NeuroEvoBench: Benchmarking Evolutionary Optimizers for Deep Learning Applicationscited by 4
- 2025Hyperparameter Optimization via Interacting with Probabilistic Circuitscited by 4
- 2025BBOPlace-Bench: Benchmarking Black-Box Optimization for Chip Placementcited by 4
- 2024ARLBench: Flexible and Efficient Benchmarking for Hyperparameter Optimization in Reinforcement Learningcited by 3
- 2025carps: A Framework for Comparing N Hyperparameter Optimizers on M Benchmarkscited by 3
- 2025None To Optima in Few Shots: Bayesian Optimization with MDP Priorscited by 3
- 2023Deep Pipeline Embeddings for AutoMLcited by 2
- 2023Python Wrapper for Simulating Multi-Fidelity Optimization on HPO Benchmarks without Any Waitcited by 2
- 2023MALIBO: Meta-learning for Likelihood-free Bayesian Optimizationcited by 2
- 2023Efficient Bayesian Optimization with Deep Kernel Learning and Transformer Pre-trained on Multiple Heterogeneous Datasetscited by 2
- 2024Fast Benchmarking of Asynchronous Multi-Fidelity Optimization on Zero-Cost Benchmarkscited by 2
- 2024LMEMs for post-hoc analysis of HPO Benchmarkingcited by 2
50 most cited of 75 All 75 (JSON)
- 2026DisCoMBO: Steering Expert-in-the-Loop Black Box Optimization via Distributional Conformance29 Sep 2026
- 2026GRAPE: Gradient Refinement and Progress-Aware Exploitation for Query-Efficient High-Dimensional Bayesian Optimization25 Aug 2026
- 2026Pitfalls and Remedies for Multi-Task Bayesian Optimization10 Jul 2026
- 2026Efficient Adaptive Data Acquisition via Pretrained Belief Representations23 Jun 2026
- 2026α-PFN: Fast Entropy Search via In-Context Learning5 Jun 2026
- 2026An Open-Source Training Dataset for Foundation Models for Black-box Optimization22 May 2026
- 2026BoLT: A Benchmark to Democratize Black-box Optimization Research for Expensive LLM Tasks16 May 2026
- 2026LLMSYS-HPOBench: Hyperparameter Optimization Benchmark Suite for Real-World LLM Systems8 May 2026
- 2026Regime-Conditioned Evaluation in Multi-Context Bayesian Optimization6 May 2026
- 2026Human-in-the-Loop Meta Bayesian Optimization for Fusion Energy and Scientific Applications30 Apr 2026
- 2026The Last Human-Written Paper: Agent-Native Research Artifacts27 Apr 2026
- 2026BayMOTH: Bayesian optiMizatiOn with meTa-lookahead -- a simple approacH13 Apr 2026
38 more
- 2026Better Bounds for the Distributed Experts Problem10 Mar 2026
- 2026Few-Shot Design Optimization by Exploiting Auxiliary Information12 Feb 2026
- 2026An Empirical Study on Ensemble-Based Transfer Learning Bayesian Optimisation with Mixed Variable Types22 Jan 2026
- 2025Best Practices For Empirical Meta-Algorithmic Research: Guidelines from the COSEAL Research Network18 Dec 2025
- 2025None To Optima in Few Shots: Bayesian Optimization with MDP Priors2 Nov 2025
- 2025BBOPlace-Bench: Benchmarking Black-Box Optimization for Chip Placement27 Oct 2025
- 2025ZeroShotOpt: Towards Zero-Shot Pretrained Models for Efficient Black-Box Optimization3 Oct 2025
- 2025Adaptive Kernel Design for Bayesian Optimization Is a Piece of CAKE with LLMs22 Sep 2025
- 2025GRPOformer: Advancing Hyperparameter Optimization via Group Relative Policy Optimization21 Sep 2025
- 2025Instance Generation for Meta-Black-Box Optimization through Latent Space Reverse Engineering19 Sep 2025
- 2025BOOST: A Data-Driven Framework for the Automated Joint Selection of Kernel and Acquisition Functions in Bayesian Optimization4 Aug 2025
- 2025ALINE: Joint Amortization for Bayesian Inference and Active Data Acquisition8 Jun 2025
- 2025carps: A Framework for Comparing N Hyperparameter Optimizers on M Benchmarks6 Jun 2025
- 2025DesignX: Human-Competitive Algorithm Designer for Black-Box Optimization23 May 2025
- 2025Hyperparameter Optimization via Interacting with Probabilistic Circuits23 May 2025
- 2025MetaBox-v2: A Unified Benchmark Platform for Meta-Black-Box Optimization23 May 2025
- 2025Clustering-based Meta Bayesian Optimization with Theoretical Guarantee8 Mar 2025
- 2025PABBO: Preferential Amortized Black-Box Optimization2 Mar 2025
- 2025Dimension Agnostic Neural Processes28 Feb 2025
- 2025Modeling All Response Surfaces in One for Conditional Search Spaces8 Jan 2025
- 2025Communication Bounds for the Distributed Experts Problem6 Jan 2025
- 2024ConfigX: Modular Configuration for Evolutionary Algorithms via Multitask Reinforcement Learning10 Dec 2024
- 2024Monte Carlo Tree Search based Space Transfer for Black-box Optimization10 Dec 2024
- 2024Amortized Bayesian Experimental Design for Decision-Making4 Nov 2024
- 2024EARL-BO: Reinforcement Learning for Multi-Step Lookahead, High-Dimensional Bayesian Optimization31 Oct 2024
- 2024ARLBench: Flexible and Efficient Benchmarking for Hyperparameter Optimization in Reinforcement Learning27 Sep 2024
- 2024Sample-Efficient Bayesian Optimization with Transfer Learning for Heterogeneous Search Spaces9 Sep 2024
- 2024LMEMs for post-hoc analysis of HPO Benchmarking5 Aug 2024
- 2024Offline Multi-Objective Optimization6 Jun 2024
- 2024Reshuffling Resampling Splits Can Improve Generalization of Hyperparameter Optimization24 May 2024
- 2024Hyperparameter Tuning MLPs for Probabilistic Time Series Forecasting7 Mar 2024
- 2024Fast Benchmarking of Asynchronous Multi-Fidelity Optimization on Zero-Cost Benchmarks4 Mar 2024
- 2024LLaMoCo: Instruction Tuning of Large Language Models for Optimization Code Generation2 Mar 2024
- 2024Reinforced In-Context Black-Box Optimization27 Feb 2024
- 2024Strong convexity-guided hyper-parameter optimization for flatter losses7 Feb 2024
- 2024Large Language Models to Enhance Bayesian Optimization6 Feb 2024
- 2024Symbol: Generating Flexible Black-Box Optimizers through Symbolic Equation Learning4 Feb 2024
- 2023NeuroEvoBench: Benchmarking Evolutionary Optimizers for Deep Learning Applications4 Nov 2023
50 newest of 75 All 75 (JSON)
- 2021Hyperparameter Optimization: Foundations, Algorithms, Best Practices and Open Challengescited by 143
- 2024Large Language Models to Enhance Bayesian Optimizationcited by 127
- 2021HPOBench: A Collection of Reproducible Multi-Fidelity Benchmark Problems for HPOcited by 111
- 2022Towards Learning Universal Hyperparameter Optimizers with Transformerscited by 81
- 2023PFNs4BO: In-Context Learning for Bayesian Optimizationcited by 70
- 2023MLCopilot: Unleashing the Power of Large Language Models in Solving Machine Learning Taskscited by 66
- 2021Pre-trained Gaussian Processes for Bayesian Optimizationcited by 63
- 2021YAHPO Gym -- An Efficient Multi-Objective Multi-Fidelity Benchmark for Hyperparameter Optimizationcited by 61
- 2022AMLB: an AutoML Benchmarkcited by 55
- 2024LLaMoCo: Instruction Tuning of Large Language Models for Optimization Code Generationcited by 45
- 2021LassoBench: A High-Dimensional Hyperparameter Optimization Benchmark Suite for Lassocited by 41
- 2022NAS-Bench-Suite: NAS Evaluation is (Now) Surprisingly Easycited by 36
12 most cited of 75 All 75 (JSON)
- 2026DisCoMBO: Steering Expert-in-the-Loop Black Box Optimization via Distributional Conformance29 Sep 2026
- 2026GRAPE: Gradient Refinement and Progress-Aware Exploitation for Query-Efficient High-Dimensional Bayesian Optimization25 Aug 2026
- 2026Pitfalls and Remedies for Multi-Task Bayesian Optimization10 Jul 2026
- 2026Efficient Adaptive Data Acquisition via Pretrained Belief Representations23 Jun 2026
- 2026α-PFN: Fast Entropy Search via In-Context Learning5 Jun 2026
- 2026An Open-Source Training Dataset for Foundation Models for Black-box Optimization22 May 2026
- 2026BoLT: A Benchmark to Democratize Black-box Optimization Research for Expensive LLM Tasks16 May 2026
- 2026LLMSYS-HPOBench: Hyperparameter Optimization Benchmark Suite for Real-World LLM Systems8 May 2026
- 2026Regime-Conditioned Evaluation in Multi-Context Bayesian Optimization6 May 2026
- 2026Human-in-the-Loop Meta Bayesian Optimization for Fusion Energy and Scientific Applications30 Apr 2026
- 2026The Last Human-Written Paper: Agent-Native Research Artifacts27 Apr 2026
- 2026BayMOTH: Bayesian optiMizatiOn with meTa-lookahead -- a simple approacH13 Apr 2026
12 newest of 75 All 75 (JSON)