相关论文: A Large Language Model for Chemistry and Retrosynt…

This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we…

Over the last decades, excellent computational chemistry tools have been developed. Integrating them into a single platform with enhanced accessibility could help reaching their full potential by overcoming steep learning curves. Recently,…

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Recent advancements in large language models (LLMs) have transformed the field of question answering (QA). However, evaluating LLMs in the medical field is challenging due to the lack of standardized and comprehensive datasets. To address…

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Humankind's understanding of the world is fundamentally linked to our perception and cognition, with \emph{human languages} serving as one of the major carriers of \emph{world knowledge}. In this vein, \emph{Large Language Models} (LLMs)…

Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities…

Large Language Models (LLMs) have shown prominent performance in various downstream tasks and prompt engineering plays a pivotal role in optimizing LLMs' performance. This paper, not only as an overview of current prompt engineering…

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

This paper presents a comprehensive survey of ChatGPT-related (GPT-3.5 and GPT-4) research, state-of-the-art large language models (LLM) from the GPT series, and their prospective applications across diverse domains. Indeed, key innovations…

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

This paper examines the application of ChatGPT, a large language model (LLM), for question-and-answer (Q&A) tasks in the highly specialized field of nuclear data. The primary focus is on evaluating ChatGPT's performance on a curated test…

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language…

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Public leaderboards increasingly suggest that large language models (LLMs) surpass human experts on benchmarks spanning academic knowledge, law, and programming. Yet most benchmarks are fully public, their questions widely mirrored across…

Large Language Models (LLMs) have demonstrated remarkable adaptability, showcasing their capacity to excel in tasks for which they were not explicitly trained. However, despite their impressive natural language processing (NLP)…

While large language models (LLMs) have showcased impressive capabilities, they struggle with addressing legal queries due to the intricate complexities and specialized expertise required in the legal field. In this paper, we introduce…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Molecules play a crucial role in biomedical research and discovery, particularly in the field of small molecule drug development. Given the rapid advancements in large language models, especially the recent emergence of reasoning models, it…