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We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with…

Artificial Intelligence · Computer Science 2026-02-09 Lijie Ding , Jan-Michael Carrillo , Changwoo Do

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup,…

Computation and Language · Computer Science 2023-02-10 Timo Schick , Jane Dwivedi-Yu , Roberto Dessì , Roberta Raileanu , Maria Lomeli , Luke Zettlemoyer , Nicola Cancedda , Thomas Scialom

Large language models (LLMs) have revolutionized text-based code automation, but their potential in graph-oriented engineering workflows remains under-explored. We introduce SimuAgent, an LLM-powered modeling and simulation agent tailored…

Artificial Intelligence · Computer Science 2026-01-09 Yanchang Liang , Xiaowei Zhao

The emergence of agentic recommender systems powered by Large Language Models (LLMs) represents a paradigm shift in personalized recommendations, leveraging LLMs' advanced reasoning and role-playing capabilities to enable autonomous,…

Information Retrieval · Computer Science 2025-05-29 Yu Shang , Peijie Liu , Yuwei Yan , Zijing Wu , Leheng Sheng , Yuanqing Yu , Chumeng Jiang , An Zhang , Fengli Xu , Yu Wang , Min Zhang , Yong Li

With the recent emergence of revolutionary autonomous agentic systems, research community is witnessing a significant shift from traditional static, passive, and domain-specific AI agents toward more dynamic, proactive, and generalizable…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Huanjin Yao , Ruifei Zhang , Jiaxing Huang , Jingyi Zhang , Yibo Wang , Bo Fang , Ruolin Zhu , Yongcheng Jing , Shunyu Liu , Guanbin Li , Dacheng Tao

Large Audio Language Models (LALMs) excel at perception but struggle with complex reasoning requiring precise acoustic measurements. While external tools can extract fine-grained features like exact tempo or pitch, effective integration…

Sound · Computer Science 2026-02-17 Siqian Tong , Xuan Li , Yiwei Wang , Baolong Bi , Yujun Cai , Shenghua Liu , Yuchen He , Chengpeng Hao

Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Artificial Intelligence · Computer Science 2025-01-14 Amr Almorsi , Mohanned Ahmed , Walid Gomaa

Tool-augmented Large Language Models (LLMs) have shown impressive capabilities in remote sensing (RS) applications. However, existing benchmarks assume question-answering input templates over predefined image-text data pairs. These…

Computation and Language · Computer Science 2024-05-03 Simranjit Singh , Michael Fore , Dimitrios Stamoulis

The pace of scientific research, vital for improving human life, is complex, slow, and needs specialized expertise. Meanwhile, novel, impactful research often stems from both a deep understanding of prior work, and a cross-pollination of…

Computation and Language · Computer Science 2025-02-11 Jinheon Baek , Sujay Kumar Jauhar , Silviu Cucerzan , Sung Ju Hwang

Verifying LLM-generated systems code is hard: bugs are prevalent, formal specifications are missing, and safety contracts are encoded implicitly at call sites rather than enforced at function boundaries. We propose agentic model checking, a…

Software Engineering · Computer Science 2026-05-21 Youcheng Sun , Jiawen Liu , Daniel Kroening , Jason Xue

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove…

Artificial Intelligence · Computer Science 2025-12-30 Jingqing Ruan , Yihong Chen , Bin Zhang , Zhiwei Xu , Tianpeng Bao , Guoqing Du , Shiwei Shi , Hangyu Mao , Ziyue Li , Xingyu Zeng , Rui Zhao

Pre-trained large language models (LLMs) have recently achieved better generalization and sample efficiency in autonomous web automation. However, the performance on real-world websites has still suffered from (1) open domainness, (2)…

Machine Learning · Computer Science 2024-02-27 Izzeddin Gur , Hiroki Furuta , Austin Huang , Mustafa Safdari , Yutaka Matsuo , Douglas Eck , Aleksandra Faust

Telecom networks are rapidly growing in scale and complexity, making effective management, operation, and optimization increasingly challenging. Although Artificial Intelligence (AI) has been applied to many telecom tasks, existing models…

Artificial Intelligence · Computer Science 2025-11-04 Chenhua Shi , Bhavika Jalli , Gregor Macdonald , John Zou , Wanlu Lei , Mridul Jain , Joji Philip

The era of intelligent agents is upon us, driven by revolutionary advancements in large language models. Large Language Model (LLM) agents, with goal-driven behaviors and dynamic adaptation capabilities, potentially represent a critical…

Despite the impressive capabilities of large language models (LLMs), they currently exhibit two primary limitations, \textbf{\uppercase\expandafter{\romannumeral 1}}: They struggle to \textbf{autonomously solve the real world engineering…

Artificial Intelligence · Computer Science 2024-11-05 Bin Lei , Yuchen Li , Yiming Zeng , Tao Ren , Yi Luo , Tianyu Shi , Zitian Gao , Zeyu Hu , Weitai Kang , Qiuwu Chen

Large Language Models are being increasingly deployed as the decision-making core of autonomous agents capable of effecting change in external environments. Yet, in conversational benchmarks, which simulate real-world customer-centric issue…

Computation and Language · Computer Science 2026-04-29 Amir Saeidi , Venkatesh Mishra , Souradeep Mukhopadhyay , Gaowen Liu , Ali Payani , Jayanth Srinivasa , Chitta Baral

The advent of artificial intelligence has led to a growing emphasis on data-driven modeling in macroeconomics, with agent-based modeling (ABM) emerging as a prominent bottom-up simulation paradigm. In ABM, agents (e.g., households, firms)…

Artificial Intelligence · Computer Science 2024-05-27 Nian Li , Chen Gao , Mingyu Li , Yong Li , Qingmin Liao

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

Large Language Models (LLMs) have demonstrated remarkable success in conversational systems by generating human-like responses. However, they can fall short, especially when required to account for personalization or specific knowledge. In…

Computation and Language · Computer Science 2025-11-12 Soyeong Jeong , Aparna Elangovan , Emine Yilmaz , Oleg Rokhlenko