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Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…
Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs), have unlocked significant potential to enhance the quality and efficiency of medical care. By introducing a novel way to interact with AI and…
Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability.…
Large Language Models (LLMs) have enabled multi-agent systems to perform autonomous code generation for complex tasks. Despite the recent growth in research and industrial applications in this area, there is little work on synthesizing…
Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…
Recent research has shown that large language models (LLMs) are particularly vulnerable to adversarial attacks. Since the release of ChatGPT, various industries are adopting LLM-based chatbots and virtual assistants in their data workflows.…
Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…
The widespread of generative artificial intelligence has heightened concerns about the potential harms posed by AI-generated texts, primarily stemming from factoid, unfair, and toxic content. Previous researchers have invested much effort…
The AI for Nuclear Energy workshop at Oak Ridge National Laboratory evaluated the potential of Large Language Models (LLMs) to accelerate fusion and fission research. Fourteen interdisciplinary teams explored diverse nuclear science…
In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in…
The advancement and extensive application of large language models (LLMs) have been remarkable, including their use in scientific research assistance. However, these models often generate scientifically incorrect or unsafe responses, and in…
Large language models (LLMs) are becoming a popular tool as they have significantly advanced in their capability to tackle a wide range of language-based tasks. However, LLMs applications are highly vulnerable to prompt injection attacks,…
Research on the safety evaluation of large language models (LLMs) has become extensive, driven by jailbreak studies that elicit unsafe responses. Such response involves information already available to humans, such as the answer to "how to…
Large Language Models (LLMs) are increasingly deployed as agentic systems that plan, memorize, and act in open-world environments. This shift brings new security problems: failures are no longer only unsafe text generation, but can become…
Several recent works have argued that Large Language Models (LLMs) can be used to tame the data deluge in the cybersecurity field, by improving the automation of Cyber Threat Intelligence (CTI) tasks. This work presents an evaluation…
Large Language Models (LLMs) have rapidly evolved over the past few years and are currently evaluated for their efficacy within the domain of offensive cyber-security. While initial forays showcase the potential of LLMs to enhance security…
Large language models (LLMs) have revolutionized the field of artificial intelligence, endowing it with sophisticated language understanding and generation capabilities. However, when faced with more complex and interconnected tasks that…
Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…
Agentic AI has been a topic of great interest recently. A Large Language Model (LLM) agent involves one or more LLMs in the back-end. In the front end, it conducts autonomous decision-making by combining the LLM outputs with results…
Significant scientific discoveries have driven the progress of human civilisation. The explosion of scientific literature and data has created information barriers across disciplines that have slowed the pace of scientific discovery. Large…