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Agent-based social simulation provides a valuable methodology for predicting social information diffusion, yet existing approaches face two primary limitations. Traditional agent models often rely on rigid behavioral rules and lack semantic…

Computers and Society · Computer Science 2025-10-21 Xinyi Li , Zhiqiang Guo , Qinglang Guo , Hao Jin , Weizhi Ma , Min Zhang

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating…

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

As agent systems powered by large language models (LLMs) advance, improving performance in context understanding, tool usage, and long-horizon execution has become critical. However, existing agent frameworks and benchmarks provide limited…

Artificial Intelligence · Computer Science 2026-01-28 Defei Xia , Bingfeng Pi , Shenbin Zhang , Song Hua , Yunfei Wei , Lei Zuo

Despite the remarkable progress of large language models (LLMs), the capabilities of standalone LLMs have begun to plateau when tackling real-world, complex tasks that require interaction with external tools and dynamic environments.…

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Foundation models (FMs) such as large language models have revolutionized the field of AI by showing remarkable performance in various tasks. However, they exhibit numerous limitations that prevent their broader adoption in many real-world…

Artificial Intelligence · Computer Science 2024-02-05 Debarun Bhattacharjya , Junkyu Lee , Don Joven Agravante , Balaji Ganesan , Radu Marinescu

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Recently, large language models (LLMs) have demonstrated remarkable problem-solving capabilities by autonomously integrating with external tools for collaborative reasoning. However, due to the inherently complex and diverse nature of…

Artificial Intelligence · Computer Science 2025-11-03 Mengjie Deng , Guanting Dong , Zhicheng Dou

Cross-domain multimodal time series forecasting is a challenging task, requiring models to integrate precise numerical comprehension, cross-domain semantic understanding, and effective multimodal fusion. Existing approaches either build…

Artificial Intelligence · Computer Science 2026-05-29 Kun Feng , Ziwei Shan , Yuchen Fang , Yiyang Tan , Sihan Lu , Shuqi Gu , Lintao Ma , Xingyu Lu , Kan Ren

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific…

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on…

We present Agent-Diff, a novel benchmarking framework for evaluating agentic Large Language Models (LLMs) on real-world productivity software API tasks via code execution. Agentic LLM performance varies due to differences in models,…

Software Engineering · Computer Science 2026-04-29 Hubert M. Pysklo , Artem Zhuravel , Patrick D. Watson

The challenge is growing towards extreme and short-duration rainfall events like a cloudburst that are peculiar to the traditional forecasting systems, in which the predictions and the response are taken as two distinct processes. The paper…

Artificial Intelligence · Computer Science 2025-12-01 Toqeer Ali Syed , Sohail Khan , Salman Jan , Gohar Ali , Muhammad Nauman , Ali Akarma , Ahmad Ali

Recent advances in visual-language models (VLMs) have led to significant improvements in a plethora of complex multimodal tasks like image captioning, report generation, and visual perception. However, generating text from meteorological…

Computation and Language · Computer Science 2026-04-21 Timothy B. Higgins , Antonios Mamalakis , Chirag Agarwal

The emergence of LLMs has catalyzed a paradigm shift in autonomous agent development, enabling systems capable of reasoning, planning, and executing complex multi-step tasks. However, existing agent frameworks often suffer from…

Artificial Intelligence · Computer Science 2026-01-21 Akbar Anbar Jafari , Cagri Ozcinar , Gholamreza Anbarjafari

Significant advancements have occurred in the application of Large Language Models (LLMs) for social simulations. Despite this, their abilities to perform teaming in task-oriented social events are underexplored. Such capabilities are…

Artificial Intelligence · Computer Science 2025-08-18 Yuan Li , Lichao Sun , Yixuan Zhang