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A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast…
Scientific reasoning inherently demands integrating sophisticated toolkits to navigate domain-specific knowledge. Yet, current benchmarks largely overlook agents' ability to orchestrate tools for such rigorous workflows. To bridge this gap,…
As cosmological simulations and their associated software become increasingly complex, physicists face the challenge of searching through vast amounts of literature and user manuals to extract simulation parameters from dense academic…
LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automation for whom? Researchers operate under different resource configurations, hold different…
Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El…
Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parameter grid searches, become impractical when operating…
Software development is a complex, multi-phase process traditionally requiring collaboration among individuals with diverse expertise. We propose AgentMesh, a Python-based framework that uses multiple cooperating LLM-powered agents to…
In modern engineering practice, human engineers collaborate in specialized teams to design complex products, with each expert completing their respective tasks while communicating and exchanging results and data with one another. While this…
The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…
Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…
Modern scientific research relies on large-scale data, complex workflows, and specialized tools, which existing LLMs and tool-based agents struggle to handle due to limitations in long-horizon planning, robust goal maintenance, and…
Tool learning empowers large language models (LLMs) as agents to use external tools and extend their utility. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating execution…
We introduce the concept of "Design Agents" for engineering applications, particularly focusing on the automotive design process, while emphasizing that our approach can be readily extended to other engineering and design domains. Our…
Autonomous agents powered by large language models (LLMs) are increasingly deployed in real-world applications requiring complex, long-horizon workflows. However, existing benchmarks predominantly focus on atomic tasks that are…
Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…
From ancient water wheels to robotic process automation (RPA), automation technology has evolved throughout history to liberate human beings from arduous tasks. Yet, RPA struggles with tasks needing human-like intelligence, especially in…
Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the misalignment of existing synthetic data generation pipelines…
While AI tools are increasingly prevalent in knowledge work, they remain fragmented, lacking the architectural foundation for sustained, adaptive collaboration. We argue this limitation stems from their inability to represent and manage the…
In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…
Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce…