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

This study explores the application of large language models (LLMs) with callable tools in energy and power engineering domain, focusing on gas path analysis of gas turbines. We developed a dual-agent tool-calling process to integrate…

Large Language Models (LLMs) have revolutionized Natural Language Processing but exhibit limitations, particularly in autonomously addressing novel challenges such as reasoning and problem-solving. Traditional techniques like…

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use…

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Large Language Models (LLMs) like GPT-3 and GPT-4 have emerged as groundbreaking innovations with capabilities that extend far beyond traditional AI applications. These sophisticated models, trained on massive datasets, can generate…

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

Corpus linguistics has traditionally relied on human researchers to formulate hypotheses, construct queries, and interpret results - a process demanding specialized technical skills and considerable time. We propose Agent-Driven Corpus…

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…

Foundation models, including large language models (LLMs) and vision-language models (VLMs), have recently enabled novel approaches to robot autonomy and human-robot interfaces. In parallel, vision-language-action models (VLAs) or large…

Multi-agent large language model (LLM) systems have emerged as a promising approach for clinical diagnosis, leveraging collaboration among agents to refine medical reasoning. However, most existing frameworks rely on single-vendor teams…

Large Language Models (LLMs) are revolutionizing the landscape of Generative Artificial Intelligence (GenAI), with innovative LLM-backed solutions emerging rapidly. However, when applied to database technologies, specifically query…

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Large Language Models (LLMs) have demonstrated significant capabilities in understanding and generating human language, contributing to more natural interactions with complex systems. However, they face challenges such as ambiguity in user…

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…

Recently, autonomous agents built on large language models (LLMs) have experienced significant development and are being deployed in real-world applications. These agents can extend the base LLM's capabilities in multiple ways. For example,…

The final frontier for simulation is the accurate representation of complex, real-world social systems. While agent-based modeling (ABM) seeks to study the behavior and interactions of agents within a larger system, it is unable to…

Deductive verification provides strong correctness guarantees for code by extracting verification conditions (VCs) and writing formal proofs for them. The expertise-intensive task of VC proving is the main bottleneck in this process, and…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

This paper presents the Model Gateway, a management platform for managing machine learning (ML) and scientific computational models in the drug discovery pipeline. The platform supports Large Language Model (LLM) Agents and Generative…