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Modern engineered systems increasingly involve complex sociotechnical environments where multiple agents, including humans and the emerging paradigm of agentic AI powered by large language models, must navigate social dilemmas that pit…
Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…
Industrial machinery maintenance requires timely intervention to prevent catastrophic failures and optimize operational efficiency. This paper presents an integrated Large Language Model (LLM)-based intelligent system for prescriptive…
Large language models (LLMs) have demonstrated remarkable tool-use capabilities, yet their application to power system operations remains largely unexplored. This paper presents Grid-Mind, a domain-specific LLM agent that interprets…
Large language model (LLM)-driven agents are emerging as a powerful new paradigm for solving complex problems. Despite the empirical success of these practices, a theoretical framework to understand and unify their macroscopic dynamics…
Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…
Autonomous driving technology, a catalyst for revolutionizing transportation and urban mobility, has the tend to transition from rule-based systems to data-driven strategies. Traditional module-based systems are constrained by cumulative…
Large language models (LLMs) as autonomous agents offer a novel avenue for tackling real-world challenges through a knowledge-driven manner. These LLM-enhanced methodologies excel in generalization and interpretability. However, the…
How should an agent decide when and how to plan? A dominant approach builds agents as reactive policies with adaptive computation (e.g., chain-of-thought), trained end-to-end expecting planning to emerge implicitly. Without control over the…
The latest advancements in AI and deep learning have led to a breakthrough in large language model (LLM)-based agents such as GPT-4. However, many commercial conversational agent development tools are pipeline-based and have limitations in…
Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…
Large Language Models (LLMs) execute complex multi-turn interaction protocols but lack formal specifications to verify execution against designer intent. We introduce FASTRIC, a Prompt Specification Language that makes implicit Finite State…
Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e.,…
Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…
This work presents an ontology-integrated large language model (LLM) framework for chemical engineering that unites structured domain knowledge with generative reasoning. The proposed pipeline aligns model training and inference with the…
Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and…
Our aim for the ML Contest for Chip Design with HLS 2024 was to predict the validity, running latency in the form of cycle counts, utilization rate of BRAM (util-BRAM), utilization rate of lookup tables (uti-LUT), utilization rate of flip…
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…
To accelerate mechanical design and enhance design quality and innovation, we present a Multidisciplinary Design and Optimization (MDO) Agent driven by Large Language Models (LLMs). The agent semi-automates the end-to-end workflow by…
While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…