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The emergence of large language models has catalyzed two distinct yet interconnected paradigms in artificial intelligence: standalone AI Agents and collaborative Agentic AI ecosystems. This comprehensive study establishes a definitive…
Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…
Effective prompt design is essential for improving the planning capabilities of large language model (LLM)-driven agents. However, existing structured prompting strategies are typically limited to single-agent, plan-only settings, and often…
We present an agent-driven approach to the construction of parameter inference pipelines for scientific data analysis. Our method leverages a multi-agent system, Cmbagent (the analysis system of the AI scientist Denario), in which…
Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…
This paper introduces BioAgent Bench, a benchmark dataset and an evaluation suite designed for measuring the performance and robustness of AI agents in common bioinformatics tasks. The benchmark contains curated end-to-end tasks (e.g.,…
Large Language Models (LLMs) have shown impressive capabilities in downstream software engineering tasks such as Automated Program Repair (APR). In particular, there has been a lot of research on repository-level issue-resolution benchmarks…
Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…
Agent-based modeling is indispensable for studying complex systems across many domains. However, existing simulation platforms exhibit two major issues: performance and modularity. Low performance prevents simulations with a large number of…
We introduce CFDagent, a zero-shot, multi-agent system that enables fully autonomous computational fluid dynamics (CFD) simulations from natural language prompts. CFDagent integrates three specialized LLM-driven agents: (i) the…
Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…
The increasing complexity of modern chemical processes, coupled with workforce shortages and intricate fault scenarios, demands novel automation paradigms that blend symbolic reasoning with adaptive control. In this work, we introduce a…
While Large Language Models (LLMs) have evolved into tool-using agents, they remain brittle in long-horizon interactions. Unlike mathematical reasoning where errors are often rectifiable via backtracking, tool-use failures frequently induce…
Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent…
While passive agents merely follow instructions, proactive agents align with higher-level objectives, such as assistance and safety by continuously monitoring the environment to determine when and how to act. However, developing proactive…
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…
Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…
Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved…
Topology optimization can generate efficient structures, but designers often must manually translate qualitative intent, such as desired visual style, product experience, or manufacturability into solver settings that are not directly tied…
The realization of autonomous scientific experimentation is currently limited by LLMs' struggle to grasp the strict procedural logic and accuracy required by biological protocols. To address this fundamental challenge, we present…