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Large language models (LLMs) are evolving into autonomous decision-makers, raising concerns about catastrophic risks in high-stakes scenarios, particularly in Chemical, Biological, Radiological and Nuclear (CBRN) domains. Based on the…

The rapid development and deployment of large language models (LLMs) have introduced a new frontier in artificial intelligence, marked by unprecedented capabilities in natural language understanding and generation. However, the increasing…

The advent of Large Language Models (LLMs) has marked significant achievements in language processing and reasoning capabilities. Despite their advancements, LLMs face vulnerabilities to data poisoning attacks, where the adversary inserts…

Artificial Intelligence (AI) is increasingly being integrated into scientific research, particularly in the social sciences, where understanding human behavior is critical. Large Language Models (LLMs) have shown promise in replicating…

Large Language Models (LLMs) are powerful text generators, yet they can produce toxic or harmful content even when given seemingly harmless prompts. This presents a serious safety challenge and can cause real-world harm. Toxicity is often…

Syllogistic reasoning is crucial for Natural Language Inference (NLI). This capability is particularly significant in specialized domains such as biomedicine, where it can support automatic evidence interpretation and scientific discovery.…

Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research, promising unprecedented acceleration of scientific discovery. However, current SDL implementations rely on rigid protocols that fail…

Most prior safety research of large language models (LLMs) has focused on enhancing the alignment of LLMs to better suit the safety requirements of humans. However, internalizing such safeguard features into larger models brought challenges…

Many studies have demonstrated that large language models (LLMs) can produce harmful responses, exposing users to unexpected risks when LLMs are deployed. Previous studies have proposed comprehensive taxonomies of the risks posed by LLMs,…

With the widespread availability of pretrained Large Language Models (LLMs) and their training datasets, concerns about the security risks associated with their usage has increased significantly. One of these security risks is the threat of…

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Large Language Models (LLMs) have demonstrated great capabilities in natural language understanding and generation, largely attributed to the intricate alignment process using human feedback. While alignment has become an essential training…

The integration of Large Language Models (LLMs) into the scientific ecosystem raises fundamental questions about the creativity and originality of AI-generated research. Recent work has identified ``smart plagiarism'' as a concern in…

Large Language Models (LLMs) have rapidly become important tools in Biomedical and Health Informatics (BHI), enabling new ways to analyze data, treat patients, and conduct research. This study aims to provide a comprehensive overview of LLM…

Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability.…

Background: Emerging reports of "AI psychosis" are on the rise, where user-LLM interactions may exacerbate or induce psychosis or adverse psychological symptoms. Whilst the sycophantic and agreeable nature of LLMs can be beneficial, it…

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

Large Language Models (LLMs) rapidly reshape modern life, advancing fields from healthcare to education and beyond. However, alongside their remarkable capabilities lies a significant threat: the susceptibility of these models to…