Related papers: Exploring Modularity of Agentic Systems for Drug D…

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Large language models (LLMs) demonstrate impressive performance on a wide variety of tasks, but they often struggle with tasks that require multi-step reasoning or goal-directed planning. Both cognitive neuroscience and reinforcement…

Large language models (LLMs) can now access a wide range of external tools, thanks to the Model Context Protocol (MCP). This greatly expands their abilities as various agents. However, LLMs rely entirely on the text descriptions of tools to…

Computational social experiments, which typically employ agent-based modeling to create testbeds for piloting social experiments, not only provide a computational solution to the major challenges faced by traditional experimental methods,…

Large language models (LLMs) are increasingly deployed in agentic frameworks, in which prompts trigger complex tool-based analysis in pursuit of a goal. While these frameworks have shown promise across multiple domains including in finance,…

Large language models (LLMs) have recently been proposed as general-purpose agents for experimental design, with claims that they can perform in-context experimental design. We evaluate this hypothesis using both open- and closed-source…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we test the potential of such agents for knowledge discovery in…

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property…

Large language model (LLM) based agents have recently attracted much attention from the research and industry communities. Compared with original LLMs, LLM-based agents are featured in their self-evolving capability, which is the basis for…

We show that multi-agent systems guided by vision-language models (VLMs) improve end-to-end autonomous scientific discovery. By treating plots as verifiable checkpoints, a VLM-as-a-judge evaluates figures against dynamically generated…

Large Language Models (LLMs) enhance their problem-solving capability by utilizing external tools. However, in open-world scenarios with massive and evolving tool repositories, existing methods relying on static embedding retrieval or…

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs.…

Evidence to guide healthcare decisions is often limited by a lack of relevant and trustworthy literature as well as difficulty in contextualizing existing research for a specific patient. Large language models (LLMs) could potentially…

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…

Despite substantial progress of large language models (LLMs) for automatic poetry generation, the generated poetry lacks diversity while the training process differs greatly from human learning. Under the rationale that the learning process…

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Specialized clinical AI assistants are rapidly entering medical practice, often framed as safer or more reliable than general-purpose large language models (LLMs). Yet, unlike frontier models, these clinical tools are rarely subjected to…

Agentic systems have transformed how Large Language Models (LLMs) can be leveraged to create autonomous systems with goal-directed behaviors, consisting of multi-step planning and the ability to interact with different environments. These…