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Related papers: MADD: Multi-Agent Drug Discovery Orchestra

200 papers

There is a growing interest in integrating Large Language Models (LLMs) with autonomous driving (AD) systems. However, AD systems are vulnerable to attacks against their object detection and tracking (ODT) functions. Unfortunately, our…

Cryptography and Security · Computer Science 2024-09-24 Ruoyu Song , Muslum Ozgur Ozmen , Hyungsub Kim , Antonio Bianchi , Z. Berkay Celik

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang

We present Test-Driven AI Agent Definition (TDAD), a methodology that treats agent prompts as compiled artifacts: engineers provide behavioral specifications, a coding agent converts them into executable tests, and a second coding agent…

Software Engineering · Computer Science 2026-03-11 Tzafrir Rehan

Coding agents powered by large language models (LLMs) have gained traction for automating code generation through iterative problem-solving with minimal human involvement. Despite the emergence of various frameworks, e.g., LangChain,…

Machine Learning · Computer Science 2025-08-19 Junpeng Wang , Yuzhong Chen , Menghai Pan , Chin-Chia Michael Yeh , Mahashweta Das

Multimodal Large Language Models (MLLMs) are evolving from passive observers into active agents, solving problems through Visual Expansion (invoking visual tools) and Knowledge Expansion (open-web search). However, existing evaluations fall…

Artificial Intelligence · Computer Science 2026-04-06 Qianshan Wei , Yishan Yang , Siyi Wang , Jinglin Chen , Binyu Wang , Jiaming Wang , Shuang Chen , Zechen Li , Yang Shi , Yuqi Tang , Weining Wang , Yi Yu , Chaoyou Fu , Qi Li , Yi-Fan Zhang

The rapid advancement of large language models (LLMs) has driven the development of agentic systems capable of autonomously performing complex tasks. Despite their impressive capabilities, LLMs remain constrained by their internal knowledge…

Information Retrieval · Computer Science 2025-08-19 Wenlin Zhang , Xiaopeng Li , Yingyi Zhang , Pengyue Jia , Yichao Wang , Huifeng Guo , Yong Liu , Xiangyu Zhao

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Multi-agent large language models (MA-LLMs) are a rapidly growing research area that leverages multiple interacting language agents to tackle complex tasks, outperforming single-agent large language models. This literature review…

Multiagent Systems · Computer Science 2025-06-03 Arne Tillmann

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Detecting machine-generated text (MGT) from contemporary Large Language Models (LLMs) is increasingly crucial amid risks like disinformation and threats to academic integrity. Existing zero-shot detection paradigms, despite their…

Computation and Language · Computer Science 2025-08-19 Yue Wang , Liesheng Wei , Yuxiang Wang

Multi-agent debate (MAD) frameworks have emerged as promising approaches for misinformation detection by simulating adversarial reasoning. While prior work has focused on detection accuracy, it overlooks the importance of helping users…

Artificial Intelligence · Computer Science 2026-01-09 Chen Han , Yijia Ma , Jin Tan , Wenzhen Zheng , Xijin Tang

Anomaly detection (AD) is a fundamental task of critical importance across numerous domains. Current systems increasingly operate in rapidly evolving environments that generate diverse yet interconnected data modalities -- such as time…

Machine Learning · Computer Science 2025-12-02 Zhongyuan Wu , Jingyuan Wang , Zexuan Cheng , Yilong Zhou , Weizhi Wang , Juhua Pu , Chao Li , Changqing Ma

There is growing interest in using machine learning (ML) to support clinical diagnosis, but most approaches rely on static, fully observed datasets and fail to reflect the sequential, resource-aware reasoning clinicians use in practice.…

Artificial Intelligence · Computer Science 2025-11-18 Silas Ruhrberg Estévez , Nicolás Astorga , Mihaela van der Schaar

In the rapidly advancing field of multi-agent systems, ensuring robustness in unfamiliar and adversarial settings is crucial. Notwithstanding their outstanding performance in familiar environments, these systems often falter in new…

Machine Learning · Computer Science 2024-11-05 Mikayel Samvelyan , Davide Paglieri , Minqi Jiang , Jack Parker-Holder , Tim Rocktäschel

Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where…

Artificial Intelligence · Computer Science 2026-03-02 Sijie Li , Weiwei Sun , Shanda Li , Ameet Talwalkar , Yiming Yang

Discovering new materials can have significant scientific and technological implications but remains a challenging problem today due to the enormity of the chemical space. Recent advances in machine learning have enabled data-driven methods…

Materials Science · Physics 2024-06-21 Shuyi Jia , Chao Zhang , Victor Fung

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

Prompt injection attacks represent a major vulnerability in Large Language Model (LLM) deployments, where malicious instructions embedded in user inputs can override system prompts and induce unintended behaviors. This paper presents a…

Cryptography and Security · Computer Science 2025-12-18 S M Asif Hossain , Ruksat Khan Shayoni , Mohd Ruhul Ameen , Akif Islam , M. F. Mridha , Jungpil Shin

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Multimodal Stance Detection (MSD) is crucial for understanding public discourse, yet effectively fusing text and image, especially with conflicting signals, remains challenging. Existing methods often face difficulties with contextual…

Artificial Intelligence · Computer Science 2026-05-01 Weihai Lu , Zhejun Zhao , Yanshu Li , Huan He