Related papers: Beyond Protein Language Models: An Agentic LLM Fra…

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited…

Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs.…

The effectiveness of LLM-based agents is often limited not by model capacity alone, but by how efficiently contextual information is utilized at runtime. Existing agent frameworks rely on rigid, syntax-heavy state representations such as…

The advent of large language models (LLMs) such as ChatGPT, PaLM, and GPT-4 has catalyzed remarkable advances in natural language processing, demonstrating human-like language fluency and reasoning capacities. This position paper introduces…

Large Language Models (LLMs), enhanced through agent tuning, have demonstrated remarkable capabilities in Chain-of-Thought (CoT) and tool utilization, significantly surpassing the performance of standalone models. However, the multimodal…

This paper presents a large language model (LLM) agent named AgentCAT, which extracts and analyzes catalytic reaction data from chemical engineering papers, %and supports natural language based interactive analysis of the extracted data.…

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

The integration of Large Language Models (LLMs) into healthcare is constrained by knowledge limitations, hallucinations, and a disconnect from Evidence-Based Medicine (EBM). While Retrieval-Augmented Generation (RAG) offers a solution,…

The evolution of Large Language Models (LLMs) from passive text generators to autonomous, goal-driven systems represents a fundamental shift in artificial intelligence. This chapter examines the emergence of agentic AI systems that…

Large Language Model (LLM)-based agents exhibit systemic failures in compositional generalization, limiting their robustness in interactive environments. This work introduces AGEL-Comp, a neuro-symbolic AI agent architecture designed to…

We introduce GenAgent, unifying visual understanding and generation through an agentic multimodal model. Unlike unified models that face expensive training costs and understanding-generation trade-offs, GenAgent decouples these capabilities…

Retrieval-Augmented Generation (RAG) mitigates key limitations of Large Language Models (LLMs)-such as factual errors, outdated knowledge, and hallucinations-by dynamically retrieving external information. Recent work extends this paradigm…

Modern software systems are subjected to various types of uncertainties arising from context, environment, etc. To this end, self-adaptation techniques have been sought out as potential solutions. Although recent advances in self-adaptation…

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Retrieval-Augmented Generation (RAG) is a framework in which a Generator, such as a Large Language Model (LLM), produces answers by retrieving documents from an external collection using a Retriever. In practice, Generators must integrate…

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…

With the fast-paced development of multimodal large language models (MLLMs), we can now converse with AI systems in natural languages to understand images. However, the reasoning power and world knowledge embedded in the large language…

Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML)…