# OPT-BENCH: Evaluating LLM Agent on Large-Scale Search Spaces Optimization Problems

arXiv: https://arxiv.org/abs/2506.10764 · HTML: https://mlsanity.com/paper/2506.10764/

## Key facts

- Cited by 12 papers in the map (data through 14 Oct 2026).
- Placed in General LLM agent frameworks and benchmarks, one of 16 directions in LLM agents and tool use.
- Builds on 39 of its 41 references that are in the map.
- First posted on arXiv 12 Jun 2025.

## Placed in

- LLM agents and tool use / [General LLM agent frameworks and benchmarks](https://mlsanity.com/agents/general-llm-agent-frameworks-and-benchmarks/)

## Builds on (most cited first, 30 of 39)

- [Language Models are Few-Shot Learners](https://mlsanity.com/paper/2005.14165/) (2020)
- [GPT-4 Technical Report](https://mlsanity.com/paper/2303.08774/) (2023)
- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [The Llama 3 Herd of Models](https://mlsanity.com/paper/2407.21783/) (2024)
- [Llama 2: Open Foundation and Fine-Tuned Chat Models](https://mlsanity.com/paper/2307.09288/) (2023)
- [Chain-of-Thought Prompting Elicits Reasoning in Large Language Models](https://mlsanity.com/paper/2201.11903/) (2022)
- [Training Verifiers to Solve Math Word Problems](https://mlsanity.com/paper/2110.14168/) (2021)
- [ReAct: Synergizing Reasoning and Acting in Language Models](https://mlsanity.com/paper/2210.03629/) (2022)
- [Evaluating Large Language Models Trained on Code](https://mlsanity.com/paper/2107.03374/) (2021)
- [Measuring Massive Multitask Language Understanding](https://mlsanity.com/paper/2009.03300/) (2020)
- [DeepSeek-R1: Incentivizing Reasoning Capability in LLMs via Reinforcement Learning](https://mlsanity.com/paper/2501.12948/) (2025)
- [Measuring Mathematical Problem Solving With the MATH Dataset](https://mlsanity.com/paper/2103.03874/) (2021)
- [PaLM: Scaling Language Modeling with Pathways](https://mlsanity.com/paper/2204.02311/) (2022)
- [GLUE: A Multi-Task Benchmark and Analysis Platform for Natural Language Understanding](https://mlsanity.com/paper/1804.07461/) (2018)
- [Reflexion: Language Agents with Verbal Reinforcement Learning](https://mlsanity.com/paper/2303.11366/) (2023)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [HellaSwag: Can a Machine Really Finish Your Sentence?](https://mlsanity.com/paper/1905.07830/) (2019)
- [Let's Verify Step by Step](https://mlsanity.com/paper/2305.20050/) (2023)
- [Program Synthesis with Large Language Models](https://mlsanity.com/paper/2108.07732/) (2021)
- [Self-Refine: Iterative Refinement with Self-Feedback](https://mlsanity.com/paper/2303.17651/) (2023)
- [Gemini 1.5: Unlocking multimodal understanding across millions of tokens of context](https://mlsanity.com/paper/2403.05530/) (2024)
- [Tree of Thoughts: Deliberate Problem Solving with Large Language Models](https://mlsanity.com/paper/2305.10601/) (2023)
- [TruthfulQA: Measuring How Models Mimic Human Falsehoods](https://mlsanity.com/paper/2109.07958/) (2021)
- [WebArena: A Realistic Web Environment for Building Autonomous Agents](https://mlsanity.com/paper/2307.13854/) (2023)
- [Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models](https://mlsanity.com/paper/2206.04615/) (2022)
- [CommonsenseQA: A Question Answering Challenge Targeting Commonsense Knowledge](https://mlsanity.com/paper/1811.00937/) (2018)
- [SuperGLUE: A Stickier Benchmark for General-Purpose Language Understanding Systems](https://mlsanity.com/paper/1905.00537/) (2019)
- [AgentBench: Evaluating LLMs as Agents](https://mlsanity.com/paper/2308.03688/) (2023)
- [WebShop: Towards Scalable Real-World Web Interaction with Grounded Language Agents](https://mlsanity.com/paper/2207.01206/) (2022)
- [ALFWorld: Aligning Text and Embodied Environments for Interactive Learning](https://mlsanity.com/paper/2010.03768/) (2020)

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

- [FrontierCS: Evolving Challenges for Evolving Intelligence](https://mlsanity.com/paper/2512.15699/) (2025)
- [What and When to Distill: Selective Hindsight Distillation for Multi-Turn Agents](https://mlsanity.com/paper/2605.19447/) (2026)
- [A Systematic Survey on Large Language Models for Evolutionary Optimization: From Modeling to Solving](https://mlsanity.com/paper/2509.08269/) (2025)
- [NP-Engine: Empowering Optimization Reasoning in Large Language Models with Verifiable Synthetic NP Problems](https://mlsanity.com/paper/2510.16476/) (2025)
- [VRPAgent: LLM-Driven Discovery of Heuristic Operators for Vehicle Routing Problems](https://mlsanity.com/paper/2510.07073/) (2025)
- [Large Language Models in Operations Research: Methods, Applications, and Challenges](https://mlsanity.com/paper/2509.18180/) (2025)
- [What Makes an LLM a Good Optimizer? A Trajectory Analysis of LLM-Guided Evolutionary Search](https://mlsanity.com/paper/2604.19440/) (2026)
- [ConsintBench: Evaluating Language Models on Real-World Consumer Intent Understanding](https://mlsanity.com/paper/2510.13499/) (2025)
- [TL-GRPO: Turn-Level RL for Reasoning-Guided Iterative Optimization](https://mlsanity.com/paper/2601.16480/) (2026)
- [MiniOpt: Reasoning to Model and Solve General Optimization Problems with Limited Resources](https://mlsanity.com/paper/2606.25832/) (2026)
- [COINBench: Moving Beyond Individual Perspectives to Collective Intent Understanding](https://mlsanity.com/paper/2603.21329/) (2026)
- [Beyond the Current Observation: Evaluating Multimodal Large Language Models in Controllable Non-Markov Games](https://mlsanity.com/paper/2606.19338/) (2026)

## Abstract (arXiv)

Large Language Models (LLMs) have shown remarkable capabilities in solving diverse tasks. However, their proficiency in iteratively optimizing complex solutions through learning from previous feedback remains insufficiently explored. To bridge this gap, we present OPT-BENCH, a comprehensive benchmark designed to evaluate LLM agents on large-scale search space optimization problems. OPT-BENCH includes 20 real-world machine learning tasks sourced from Kaggle and 10 classical NP problems, offering a diverse and challenging environment for assessing LLM agents on iterative reasoning and solution refinement. To enable rigorous evaluation, we introduce OPT-Agent, an end-to-end optimization framework that emulates human reasoning when tackling complex problems by generating, validating, and iteratively improving solutions through leveraging historical feedback. Through extensive experiments on 9 state-of-the-art LLMs from 6 model families, we analyze the effects of optimization iterations, temperature settings, and model architectures on solution quality and convergence. Our results demonstrate that incorporating historical context significantly enhances optimization performance across both ML and NP tasks. All datasets, code, and evaluation tools are open-sourced to promote further research in advancing LLM-driven optimization and iterative reasoning. Project page: hrefhttps://github.com/OliverLeeXZ/OPT-BENCHhttps://github.com/OliverLeeXZ/OPT-BENCH.