Related papers: Purely Agent-Driven Black-Box Optimization for Bio…

Automatic code optimization remains a difficult challenge, particularly for complex loop nests on modern hardware. This paper investigates a novel approach to code optimization where Large Language Models (LLMs) guide the process through a…

The application of Large Language Models (LLMs) for Automated Algorithm Discovery (AAD), particularly for optimisation heuristics, is an emerging field of research. This emergence necessitates robust, standardised benchmarking practices to…

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Large language models (LLMs) have demonstrated exceptional performance not only in natural language processing tasks but also in a great variety of non-linguistic domains. In diverse optimization scenarios, there is also a rising trend of…

Recently, using Large Language Models (LLMs) to generate optimization models from natural language descriptions has became increasingly popular. However, a major open question is how to validate that the generated models are correct and…

Large language models (LLMs) have recently shown strong reasoning capabilities beyond traditional language tasks, motivating their use for numerical optimization. This paper presents LLMize, an open-source Python framework that enables…

Large Language Models (LLMs) in agentic workflows combine multi-step reasoning, heterogeneous tool use, and collaboration across multiple specialized agents. Existing LLM serving engines optimize individual calls in isolation, while…

This paper presents an innovative large language model (LLM) agent framework for enhancing diagnostic accuracy in simulated clinical environments using the AgentClinic benchmark. The proposed automatic correction enables doctor agents to…

Meta-Black-Box Optimization (MetaBBO) garners attention due to its success in automating the configuration and generation of black-box optimizers, significantly reducing the human effort required for optimizer design and discovering…

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Large-scale reinforcement learning with verifiable rewards (RLVR) has demonstrated its effectiveness in harnessing the potential of large language models (LLMs) for single-turn reasoning tasks. In realistic reasoning scenarios, LLMs can…

Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian…

Recent advances in large language models (LLMs) have sparked growing interest in automatic RTL optimization for better performance, power, and area (PPA). However, existing methods are still far from realistic RTL optimization. Their…

An increasing number of NLP applications interact with large language models (LLMs) through black-box APIs, making prompt engineering critical for controlling model outputs. While recent Automatic Prompt Optimization (APO) methods…

Large Language Models demonstrate substantial promise for advancing scientific discovery, yet their deployment in disciplines demanding factual precision and specialized domain constraints presents significant challenges. Within molecular…

RL-based agentic search enables LLMs to solve complex questions via dynamic planning and external search. While this approach significantly enhances accuracy with agent policies optimized via large-scale reinforcement learning, we identify…

Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Here, we introduce ChemBOMAS: a large language model…

Future wireless networks are expected to incorporate diverse services that often lack general mathematical models. To address such black-box network management tasks, the large language model (LLM) optimizer framework, which leverages…

A software platform for global optimisation, called PaGMO, has been developed within the Advanced Concepts Team (ACT) at the European Space Agency, and was recently released as an open-source project. PaGMO is built to tackle…