Related papers: LICO: Large Language Models for In-Context Molecul…

Balancing competing objectives is omnipresent across disciplines, from drug design to autonomous systems. Multi-objective Bayesian optimization is a promising solution for such expensive, black-box problems: it fits probabilistic surrogates…

Reinforcement Learning (RL) has shown great potential for autonomous decision-making in the cybersecurity domain, enabling agents to learn through direct environment interaction. However, RL agents in Autonomous Cyber Operations (ACO)…

Automatic prompt optimization is an important approach to improving the performance of large language models (LLMs). Recent research demonstrates the potential of using LLMs as prompt optimizers, which can generate improved task prompts via…

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

Multimodal Large Language Models (MLLMs) often suffer from hallucinations, particularly errors in object existence, attributes, or relations, which undermine their reliability. We introduce TACO (Verified Atomic Confidence Estimation), a…

Optimization problems often require domain-specific expertise to design problem-dependent methodologies. Recently, several approaches have gained attention by integrating large language models (LLMs) into genetic algorithms. Building on…

The optimization of nuclear engineering designs, such as nuclear fuel assembly configurations, involves managing competing objectives like reactivity control and power distribution. This study explores the use of Optimization by Prompting,…

The emergence of Large Language Models (LLMs) has improved the prospects for robotic tasks. However, existing benchmarks are still limited to single tasks with limited generalization capabilities. In this work, we introduce a comprehensive…

In complex engineering systems, the dependencies among components or development activities are often modeled and analyzed using Design Structure Matrix (DSM). Reorganizing elements within a DSM to minimize feedback loops and enhance…

Large Language Models (LLMs) have significantly advanced the field of Natural Language Processing (NLP), but their lack of interpretability has been a major concern. Current methods for interpreting LLMs are post hoc, applied after…

We propose a novel approach to multi-robot collaboration that harnesses the power of pre-trained large language models (LLMs) for both high-level communication and low-level path planning. Robots are equipped with LLMs to discuss and…

Large Language Models (LLMs) demonstrate strong generalization and reasoning abilities, making them well-suited for complex decision-making tasks such as medical consultation (MC). However, existing LLM-based methods often fail to capture…

We present AMO-Bench, an Advanced Mathematical reasoning benchmark with Olympiad level or even higher difficulty, comprising 50 human-crafted problems. Existing benchmarks have widely leveraged high school math competitions for evaluating…

For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these…

In this paper, we make the first attempt to understand and test potential computation efficiency robustness in state-of-the-art LLMs. By analyzing the working mechanism and implementation of 20,543 public-accessible LLMs, we observe a…

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 revolutionized the field of Natural Language Processing (NLP) by automating traditional labor-intensive tasks and consequently accelerated the development of computer-aided applications. As researchers…

Long-context models(LCMs) have shown great potential in processing long input sequences(even more than 100M tokens) conveniently and effectively. With significant progress, recent research has pointed out that LCMs can accurately locate…

Domain-specific large language models (LLMs), typically developed by fine-tuning a pre-trained general-purpose LLM on specialized datasets, represent a significant advancement in applied AI. A common strategy in LLM fine-tuning is…

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…