Related papers: SmileyLlama: Modifying Large Language Models for D…

Large Language Models (LLMs) have transformed human-computer interaction by enabling natural language-based communication with AI-powered chatbots. These models are designed to be intuitive and user-friendly, allowing users to articulate…

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

Chemputation is the process of programming chemical robots to do experiments using a universal symbolic language, but the literature can be error prone and hard to read due to ambiguities. Large Language Models (LLMs) have demonstrated…

While large language models (LLMs) have demonstrated exceptional performance in recent natural language processing (NLP) tasks, their deployment poses substantial challenges due to high computational and memory demands in real-world…

Automated computational analysis of the vast chemical space is critical for numerous fields of research such as drug discovery and material science. Representation learning techniques have recently been employed with the primary objective…

We explore the usage of large language models (LLM) in human-in-the-loop human-in-the-plant cyber-physical systems (CPS) to translate a high-level prompt into a personalized plan of actions, and subsequently convert that plan into a…

This study aims to innovatively explore adaptive applications of large language models (LLM) in urban renewal. It also aims to improve its performance and text generation quality for knowledge question-answering (QA) tasks. Based on the…

The application of large language models (LLMs) to chemistry is frequently hampered by a "tokenization bottleneck", where tokenizers tuned on general-domain text tend to fragment chemical representations such as SMILES into semantically…

The capacity of large language models (LLMs) to generate honest, harmless, and helpful responses heavily relies on the quality of user prompts. However, these prompts often tend to be brief and vague, thereby significantly limiting the full…

Large language models (LLMs) are increasingly attracting the attention of healthcare professionals for their potential to assist in diagnostic assessments, which could alleviate the strain on the healthcare system caused by a high patient…

Large language models (LLMs) are increasingly being integrated into search engines to provide natural language responses tailored to user queries. Customers and end-users are also becoming more dependent on these models for quick and easy…

Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP learns from molecular string representations (e.g., Simplified Molecular Input Line Entry Systems…

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Large Language Models (LLMs) have emerged as a transformative AI paradigm, profoundly influencing daily life through their exceptional language understanding and contextual generation capabilities. Despite their remarkable performance, LLMs…

Large language models (LLMs) demonstrate their promise in tackling complicated practical challenges by combining action-based policies with chain of thought (CoT) reasoning. Having high-quality prompts on hand, however, is vital to the…

Frontier large language models (LLMs), such as GPT-5, Claude 4.5, Gemini 3, Llama 4, and DeepSeek-R1, represent a transformative class of AI tools capable of revolutionizing various aspects of healthcare by generating human-like responses…

The potential of large language models (LLMs) as decision support tools is increasingly being explored in fields such as business, engineering, and medicine, which often face challenging tasks of decision-making under uncertainty. In this…