Frontier LLMs are effective batch optimizers: Assessing reasoning models in continuous and discrete settings

Large language models (LLMs) are increasingly used for optimization modeling and solver-code generation, yet practical operations research and optimization problems often require a harder capability: designing scalable algorithms that exploit problem structure and outperform direct formulation-and-solve baselines. Existing benchmarks are limited to small or simplified examples far below real-world scale and complexity. We introduce FrontierOR, among the first benchmarks to systematically evaluate LLM-based efficient algorithm design for realistic large-scale optimization problems. FrontierOR includes 180 tasks derived from methodologically diverse papers published in top-tier operations research venues, each with standardized instances and a hidden, expert-verified evaluation suite. We evaluate seven LLMs spanning frontier, cost-effective, and open-source models both in one-shot and test-time evolution settings. The results reveal that frontier models still struggle to move from executable formulations to efficient optimization algorithms: the strongest one-shot model outperforms Gurobi in only 31% of cases in both solution quality and computational efficiency, and even strong coding agents with test-time evolution achieve only 50% on selected hard tasks. FrontierOR establishes a practical evaluation platform for LLM-based optimization algorithm design, which enables future LLMs and agents to be systematically tested on whether they can move beyond correct formulation toward a feasible, high-quality, and efficient algorithm. Code and data are publicly released at https://github.com/Minw913/FrontierOR.

Training large language models requires optimization algorithms that are not only statistically effective, but also computationally and memory efficient at extreme scale. Although Adam remains the dominant optimizer for large-scale language-model pretraining and fine-tuning, recent work has revisited nearly every component of the optimization stack: adaptive moment estimation, decoupled weight decay, memory footprint, curvature approximation, sign-based updates, large-batch stability, low-rank gradient structure, and matrix-wise orthogonalized updates. This survey reviews optimizer design for large language models through a systems-and-optimization lens. We organize the literature into classical first-order optimizers, adaptive optimizers, memory-efficient variants, second-order and curvature-aware methods, sign-based and discovered optimizers, low-rank and projection-based methods, and matrix-based optimizers such as Muon. We also discuss benchmarking methodology, including hyperparameter fairness, scale dependence, wall-clock efficiency, token efficiency, memory overhead, and downstream evaluation. We argue that optimizer research for LLMs is entering a new phase: moving from single-algorithm speedup claims toward rigorous, scale-aware comparisons that jointly evaluate convergence, stability, memory, and implementation complexity.

Optimization of LLM training and inference configurations, such as hyperparameters, data mixtures, and prompts, is critical to performance, but it is often approached heuristically in practice, leading to potentially suboptimal outcomes. By framing them as noisy, expensive, and derivative-free optimization problems, Bayesian optimization (BO) and other black-box optimization (BBO) methods offer a promising yet underexplored direction for principled, sample-efficient methods. However, LLM training and inference costs are prohibitively high for most of the BBO research community, and new methods are often only evaluated on synthetic test functions and small-scale datasets that fail to capture the challenges of modern LLM optimization problems. This impedes the development of BBO methods and makes it difficult to assess their effectiveness on modern LLM tasks. We introduce BoLT, the first LLM-centric benchmark that democratizes LLM research for the BBO community. BoLT is released at https://github.com/chewwt/bolt. BoLT covers broad and well-motivated LLM optimization problems, involving multi-fidelity, multi-objective, heteroscedastic noise, and high-dimensional search spaces. Each problem in BoLT is grounded in real experimental data and made fully reproducible and accessible through lightweight surrogate models fitted to the results of thousands of real LLM experiments. We benchmark BoLT against an extensive range of BO and BBO methods, showing that selected BO methods consistently outperform others across tasks and highlighting gaps in existing BBO methods on LLM tasks, underscoring the need to modernize benchmarks for the BBO community.