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The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

Materials Science · Physics 2026-04-08 Fengxu Yang , Jack D. Evans

In computational biophysics, where molecular data is expanding rapidly and system complexity is increasing exponentially, large language models (LLMs) and agent-based systems are fundamentally reshaping the field. This perspective article…

As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between…

Artificial Intelligence · Computer Science 2025-10-07 Yanjie Fu , Dongjie Wang , Wangyang Ying , Xinyuan Wang , Xiangliang Zhang , Huan Liu , Jian Pei

In this work, we introduce MedAgentSim, an open-source simulated clinical environment with doctor, patient, and measurement agents designed to evaluate and enhance LLM performance in dynamic diagnostic settings. Unlike prior approaches, our…

Computation and Language · Computer Science 2025-10-02 Mohammad Almansoori , Komal Kumar , Hisham Cholakkal

Vision-and-Language Navigation (VLN) requires an agent to ground language instructions to its own movement within a visual environment. While state-of-the-art methods leverage the reasoning capabilities of Vision-Language Models (VLMs) for…

Large Language Model (LLM) agents are increasingly improved through interaction, yet most self-evolution methods adapt either the policy or the learning environment in isolation. We identify this structural gap as \emph{Agent-Environment…

Computation and Language · Computer Science 2026-05-26 Yihao Hu , Zhihao Wen , Xiujin Liu , Pan Wang , Xin Zhang , Wei Wu

This paper presents a novel approach for the Vision-and-Language Navigation (VLN) task in continuous 3D environments, which requires an autonomous agent to follow natural language instructions in unseen environments. Existing end-to-end…

Traditional Data+AI systems utilize data-driven techniques to optimize performance, but they rely heavily on human experts to orchestrate system pipelines, enabling them to adapt to changes in data, queries, tasks, and environments. For…

Databases · Computer Science 2025-07-03 Zhaoyan Sun , Jiayi Wang , Xinyang Zhao , Jiachi Wang , Guoliang Li

Deep learning models excel at detecting anomaly patterns in normal data. However, they do not provide a direct solution for anomaly classification and scalability across diverse control systems, frequently failing to distinguish genuine…

Artificial Intelligence · Computer Science 2026-04-06 Jiyong Kwon , Ujin Jeon , Sooji Lee , Guang Lin

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

As spacecraft journey further from Earth with more complex missions, systems of greater autonomy and onboard intelligence are called for. Reducing reliance on human-based mission control becomes increasingly critical if we are to increase…

Robotics · Computer Science 2024-05-03 David Maranto

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret…

Large language model (LLM)-driven multi-agent systems (MAS) are transforming how humans and AIs collaboratively generate ideas and artifacts. While existing surveys provide comprehensive overviews of MAS infrastructures, they largely…

Human-Computer Interaction · Computer Science 2025-05-28 Yi-Cheng Lin , Kang-Chieh Chen , Zhe-Yan Li , Tzu-Heng Wu , Tzu-Hsuan Wu , Kuan-Yu Chen , Hung-yi Lee , Yun-Nung Chen

We report on a systematic, PRISMA-guided survey of research at the intersection of LLMs and visualization, with a particular focus on visio-verbal interaction -- where verbal and visual modalities converge to support data sense-making. The…

Human-Computer Interaction · Computer Science 2026-02-04 Mathis Brossier , Tobias Isenberg , Konrad Schönborn , Jonas Unger , Mario Romero , Johanna Björklund , Anders Ynnerman , Lonni Besançon

The visual analytics community has long aimed to understand users better and assist them in their analytic endeavors. As a result, numerous conceptual models of visual analytics aim to formalize common workflows, techniques, and goals…

Human-Computer Interaction · Computer Science 2023-04-20 Shayan Monadjemi , Mengtian Guo , David Gotz , Roman Garnett , Alvitta Ottley

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is…

Artificial Intelligence · Computer Science 2026-05-29 Junlin Yang , Dylan Zhang , Xiangchen Song , Qirun Dai , Xiao Liu , Yuen Chen , Aniket Vashishtha , Jing Shi , Chenhao Tan , Hao Peng

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction…

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

Computation and Language · Computer Science 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

Semantic reasoning and dynamic planning capabilities are crucial for an autonomous agent to perform complex navigation tasks in unknown environments. It requires a large amount of common-sense knowledge, that humans possess, to succeed in…

Robotics · Computer Science 2024-04-05 Abhinav Rajvanshi , Karan Sikka , Xiao Lin , Bhoram Lee , Han-Pang Chiu , Alvaro Velasquez