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Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Data-analytic agents are emerging as a key catalyst for automated scientific discovery and for the vision of Innovating AI. Current approaches, however, rely heavily on prompt engineering over proprietary models, while open-source models…

Computation and Language · Computer Science 2026-03-16 Shuofei Qiao , Yanqiu Zhao , Zhisong Qiu , Xiaobin Wang , Jintian Zhang , Zhao Bin , Ningyu Zhang , Yong Jiang , Pengjun Xie , Fei Huang , Huajun Chen

The agency expected of Agentic Large Language Models goes beyond answering correctly, requiring autonomy to set goals and decide what to explore. We term this investigatory intelligence, distinguishing it from executional intelligence,…

Artificial Intelligence · Computer Science 2026-05-19 Wei Liu , Peijie Yu , Michele Orini , Yali Du , Yulan He

Education is one of the most promising real-world applications for Large Language Models (LLMs). However, current LLMs rely on static pre-training knowledge and lack adaptation to individual learners, while existing RAG systems fall short…

Computers and Society · Computer Science 2026-05-12 Bingxi Zhao , Jiahao Zhang , Xubin Ren , Zirui Guo , Tianzhe Chu , Yi Ma , Chao Huang

The rapid evolution of Agentic AI and large language models (LLMs) presents transformative opportunities for higher education institutions. This chapter introduces the concept of self-driving universities, a vision in which AI-enabled…

Computers and Society · Computer Science 2026-02-24 Anis Koubaa

Edge-scale deep research agents based on small language models are attractive for real-world deployment due to their advantages in cost, latency, and privacy. In this work, we study how to train a strong small deep research agent under…

The evolution of Large Language Models (LLMs) from passive text generators to autonomous, goal-driven systems represents a fundamental shift in artificial intelligence. This chapter examines the emergence of agentic AI systems that…

Artificial Intelligence · Computer Science 2026-01-07 Nadia Sibai , Yara Ahmed , Serry Sibaee , Sawsan AlHalawani , Adel Ammar , Wadii Boulila

Rapidly evolving cyberattacks demand incident response systems that can autonomously learn and adapt to changing threats. Prior work has extensively explored the reinforcement learning approach, which involves learning response strategies…

Cryptography and Security · Computer Science 2026-04-16 Yiran Gao , Kim Hammar , Tao Li

Capturing human learning behavior based on deep learning methods has become a major research focus in both psychology and intelligent systems. Recent approaches rely on controlled experiments or rule-based models to explore cognitive…

Artificial Intelligence · Computer Science 2025-08-08 Yu Yuan , Lili Zhao , Wei Chen , Guangting Zheng , Kai Zhang , Mengdi Zhang , Qi Liu

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…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

The creation of high-quality datasets to improve Large Language Model (LLM) reasoning remains a significant challenge, as current methods often suffer from generating low-quality/incorrect answers and limited information richness from…

Computation and Language · Computer Science 2026-01-09 Xianyang Liu , Yilin Liu , Shuai Wang , Hao Cheng , Andrew Estornell , Yuzhi Zhao , Jun Shu , Jiaheng Wei

Large language models (LLMs) have evolved into agentic systems capable of autonomous tool use and multi-step reasoning for complex problem-solving. However, post-training approaches building upon general-purpose foundation models…

Large Language Model (LLM) agents are rapidly improving to handle increasingly complex web-based tasks. Most of these agents rely on general-purpose, proprietary models like GPT-4 and focus on designing better prompts to improve their…

Computation and Language · Computer Science 2024-12-06 Junhong Shen , Atishay Jain , Zedian Xiao , Ishan Amlekar , Mouad Hadji , Aaron Podolny , Ameet Talwalkar

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…

This paper details two novel frameworks for developing autonomous, agentic AI in scientific workflows. Both systems leverage a hybrid Local Body, Remote Brain architecture via Google Colab, utilizing Python-based local orchestrators to…

Artificial Intelligence · Computer Science 2026-05-27 Judy Fox , Geoffrey Fox

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language…

Large Language Models (LLMs) have facilitated the definition of autonomous intelligent agents. Such agents have already demonstrated their potential in solving complex tasks in different domains. And they can further increase their…

Software Engineering · Computer Science 2025-06-30 Adem Ait , Javier Luis Cánovas Izquierdo , Jordi Cabot

This paper presents DataSciBench, a comprehensive benchmark for evaluating Large Language Model (LLM) capabilities in data science. Recent related benchmarks have primarily focused on single tasks, easily obtainable ground truth, and…

Computation and Language · Computer Science 2025-02-20 Dan Zhang , Sining Zhoubian , Min Cai , Fengzu Li , Lekang Yang , Wei Wang , Tianjiao Dong , Ziniu Hu , Jie Tang , Yisong Yue