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Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

This paper pursues the insight that large language models (LLMs) trained to generate code can vastly improve the effectiveness of mutation operators applied to programs in genetic programming (GP). Because such LLMs benefit from training…

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Large language models (LLMs) have not only revolutionized natural language processing but also extended their prowess to various domains, marking a significant stride towards artificial general intelligence. The interplay between LLMs and…

Generative Large Language Models (LLMs) hold significant promise in healthcare, demonstrating capabilities such as passing medical licensing exams and providing clinical knowledge. However, their current use as information retrieval tools…

Evaluating Large Language Models (LLMs) with respect to real-world code complexity is essential. Otherwise, there is a risk of overestimating LLMs' programming abilities based on simplistic benchmarks, only to be disappointed when using…

This work analyzes the use of large language models (LLMs) for detecting domain generation algorithms (DGAs). We perform a detailed evaluation of two important techniques: In-Context Learning (ICL) and Supervised Fine-Tuning (SFT), showing…

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material…

Programming reliability algorithms is crucial for risk assessment in geotechnical engineering. This study explores the possibility of automating and accelerating this task using Generative AI based on Large Language Models (LLMs).…

Large Language Models (LLMs) and pre-trained Language Models (LMs) have achieved impressive success on many software engineering tasks (e.g., code completion and code generation). By leveraging huge existing code corpora (e.g., GitHub),…

The applications of large language models (LLMs) are promising for biomedical and healthcare research. Despite the availability of open-source LLMs trained using a wide range of biomedical data, current research on the applications of LLMs…

The evolution of Large Language Models (LLMs) like ChatGPT and GPT-4 has sparked discussions on the advent of Artificial General Intelligence (AGI). However, replicating such advancements in open-source models has been challenging. This…

This study explores the potential of Large Language Models (LLMs) in automating the repair of C programs. We present a framework that integrates spectrum-based fault localization (SBFL), runtime feedback, and Chain-of-Thought-structured…

Purpose: Large Language Models (LLMs) like GPT (Generative Pre-trained Transformer) from OpenAI and LLaMA (Large Language Model Meta AI) from Meta AI are increasingly recognized for their potential in the field of cheminformatics,…

Generative Large Language Models (LLMs) are increasingly used in non-generative software maintenance tasks, such as fault localization (FL). Success in FL depends on a models ability to reason about program semantics beyond surface-level…

While Large Language Models (LLMs) have demonstrated exceptional multitasking abilities, fine-tuning these models on downstream, domain-specific datasets is often necessary to yield superior performance on test sets compared to their…

Recent advancements in generative AI have led to the widespread adoption of large language models (LLMs) in software engineering, addressing numerous long-standing challenges. However, a comprehensive study examining the capabilities of…

As large language models (LLMs) increasingly shape the AI landscape, fine-tuning pretrained models has become more popular than in the pre-LLM era for achieving optimal performance in domain-specific tasks. However, pretrained LLMs such as…

Unit testing plays a pivotal role in software development, improving software quality and reliability. However, generating effective test cases manually is time-consuming, prompting interest in unit testing research. Recently, Large…

Large Language Models (LLMs) can generate plausible test code. Intuitively they generate this by imitating tests seen in their training data, rather than reasoning about execution semantics. However, such reasoning is important when…