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Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

As large language models (LLMs) transition from static tools to fully agentic systems, their potential for transforming social science research has become increasingly evident. This paper introduces a structured framework for understanding…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing…

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Solving Partial Differential Equations (PDEs) is a cornerstone of engineering and scientific research. Traditional methods for PDE solving are cumbersome, relying on manual setup and domain expertise. While Physics-Informed Neural Network…

We present the first implementation of AI agents into the design and optimization of detectors in high-energy physics experiments via a bilevel optimization framework that vertically integrates detector geometry, front-end digitization, and…

We extract data-driven, intrinsic spatial coordinates from observations of the dynamics of large systems of coupled heterogeneous agents. These coordinates then serve as an emergent space in which to learn predictive models in the form of…

LLM-based foundation agents that perceive, reason, and act across thousands of reasoning steps are rapidly becoming the dominant paradigm for deploying artificial intelligence in open-ended, long-horizon complex tasks. Despite this…

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and…

Designing strategyproof mechanisms for multi-facility location that optimize social costs based on agent preferences had been challenging due to the extensive domain knowledge required and poor worst-case guarantees. Recently, deep learning…

Task planning, the problem of sequencing actions to reach a goal from an initial state, is a core capability requirement for autonomous robotic systems. Whether large language models (LLMs) can serve as viable planners alongside classical…

LLM-empowered agent simulations are increasingly used to study social emergence, yet the micro-to-macro causal mechanisms behind macro outcomes often remain unclear. This is challenging because emergence arises from intertwined agent…

This paper advances motion agents empowered by large language models (LLMs) toward autonomous navigation in dynamic and cluttered environments, significantly surpassing first and recent seminal but limited studies on LLM's spatial…

Large language models have enabled agentic systems that reason, plan, and interact with tools and environments to accomplish complex tasks. As these agents operate over extended interaction horizons, their effectiveness increasingly depends…

Foundation models have reshaped AI by unifying fragmented architectures into scalable backbones with multimodal reasoning and contextual adaptation. In parallel, the long-standing notion of AI agents, defined by the sensing-decision-action…