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The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…

Computation and Language · Computer Science 2026-05-29 Achuth Chandrasekhar , Janghoon Ock , Amir Barati Farimani

Detecting biases in structured data is a complex and time-consuming task. Existing automated techniques are limited in diversity of data types and heavily reliant on human case-by-case handling, resulting in a lack of generalizability.…

Artificial Intelligence · Computer Science 2025-04-08 Haoxuan Li , Mingyu Derek Ma , Jen-tse Huang , Zhaotian Weng , Wei Wang , Jieyu Zhao

Web applications remain the dominant attack surface in cybersecurity, where vulnerabilities such as SQL injection, XSS, and business logic flaws continue to cause significant data breaches. While penetration testing is effective for…

Cryptography and Security · Computer Science 2026-03-31 Tran Vy Khang , Nguyen Dang Nguyen Khang , Nghi Hoang Khoa , Do Thi Thu Hien , Van-Hau Pham , Phan The Duy

Penetration testing is a critical technique for identifying security vulnerabilities, traditionally performed manually by skilled security specialists. This complex process involves gathering information about the target system, identifying…

Cryptography and Security · Computer Science 2025-06-02 Xiangmin Shen , Lingzhi Wang , Zhenyuan Li , Yan Chen , Wencheng Zhao , Dawei Sun , Jiashui Wang , Wei Ruan

The adoption of large language models (LLMs) in healthcare has attracted significant research interest. However, their performance in healthcare remains under-investigated and potentially limited, due to i) they lack rich domain-specific…

Artificial Intelligence · Computer Science 2024-05-21 Zishan Gu , Fenglin Liu , Changchang Yin , Ping Zhang

Traditional control system design, reliant on expert knowledge and precise models, struggles with complex, nonlinear, or uncertain dynamics. This paper introduces AgenticControl, a novel multi-agent framework that automates controller…

Systems and Control · Electrical Eng. & Systems 2025-06-25 Mohammad Narimani , Seyyed Ali Emami

Recent progress in multimodal graph neural networks has demonstrated that augmenting atomic XYZ geometries with textual chemical descriptors can enhance predictive accuracy across a range of electronic and thermodynamic properties. However,…

Multiagent Systems · Computer Science 2025-06-27 Can Polat , Mehmet Tuncel , Mustafa Kurban , Erchin Serpedin , Hasan Kurban

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Large language model (LLM)-based multi-agent systems (MAS) have shown strong capabilities in solving complex tasks. As MAS become increasingly autonomous in various safety-critical tasks, detecting malicious agents has become a critical…

Cryptography and Security · Computer Science 2025-12-23 Junjun Pan , Yixin Liu , Rui Miao , Kaize Ding , Yu Zheng , Quoc Viet Hung Nguyen , Alan Wee-Chung Liew , Shirui Pan

With their high information density and intuitive readability, charts have become the de facto medium for data analysis and communication across disciplines. Recent multimodal large language models (MLLMs) have made notable progress in…

Computer Vision and Pattern Recognition · Computer Science 2025-12-17 Boran Wang , Xinming Wang , Yi Chen , Xiang Li , Jian Xu , Jing Yuan , Chenglin Liu

As LLMs are increasingly deployed as agents, agentic reasoning - the ability to combine tool use, especially search, and reasoning - becomes a critical skill. However, it is hard to disentangle agentic reasoning when evaluated in complex…

Artificial Intelligence · Computer Science 2025-10-03 Hanlin Zhu , Tianyu Guo , Song Mei , Stuart Russell , Nikhil Ghosh , Alberto Bietti , Jiantao Jiao

Large language models (LLMs) show promise for healthcare question answering, but clinical use is limited by weak verification, insufficient evidence grounding, and unreliable confidence signalling. We propose a multi-agent medical QA…

Computation and Language · Computer Science 2026-02-17 Naeimeh Nourmohammadi , Md Meem Hossain , The Anh Han , Safina Showkat Ara , Zia Ush Shamszaman

Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

Artificial Intelligence · Computer Science 2025-10-01 Chenglin Yu , Yang Yu , Songmiao Wang , Yucheng Wang , Yifan Yang , Jinjia Li , Ming Li , Hongxia Yang

Large Language Model (LLM)-based recommendation systems have demonstrated remarkable capabilities in understanding user preferences and generating personalized suggestions. However, existing approaches face critical challenges in…

Information Retrieval · Computer Science 2026-04-24 Sushant Mehta

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the…

Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We introduce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets…

Agent-based AutoML systems rely on large language models to make complex, multi-stage decisions across data processing, model selection, and evaluation. However, existing evaluation practices remain outcome-centric, focusing primarily on…

Artificial Intelligence · Computer Science 2026-03-17 Gaoyuan Du , Amit Ahlawat , Xiaoyang Liu , Jing Wu

Multi-agent systems built on Large Language Models (LLMs) show exceptional promise for complex collaborative problem-solving, yet they face fundamental challenges stemming from context window limitations that impair memory consistency, role…

Artificial Intelligence · Computer Science 2026-01-13 Sizhe Yuen , Francisco Gomez Medina , Ting Su , Yali Du , Adam J. Sobey

Accurate prediction of traffic crash severity is critical for improving emergency response and public safety planning. Although recent large language models (LLMs) exhibit strong reasoning capabilities, their single-agent architectures…

Artificial Intelligence · Computer Science 2026-02-03 Zhichao Yang , Jiashu He , Jinxuan Fan , Cirillo Cinzia

Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome…

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