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Related papers: MADD: Multi-Agent Drug Discovery Orchestra

200 papers

Object detection traditionally relies on fixed category sets, requiring costly re-training to handle novel objects. While Open-World and Open-Vocabulary Object Detection (OWOD and OVOD) improve flexibility, OWOD lacks semantic labels for…

Computer Vision and Pattern Recognition · Computer Science 2025-07-16 Furkan Mumcu , Michael J. Jones , Anoop Cherian , Yasin Yilmaz

Artificial intelligence has accelerated materials discovery through high-throughput prediction and generation, yet the decision problem remains a formidable bottleneck. While current AI systems readily propose millions of candidates,…

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use…

Artificial Intelligence · Computer Science 2026-03-05 He Cao , Siyu Liu , Fan Zhang , Zijing Liu , Hao Li , Bin Feng , Shengyuan Bai , Leqing Chen , Kai Xie , Yu Li

Large Language Models (LLMs) have enabled multi-agent systems to perform autonomous code generation for complex tasks. Despite the recent growth in research and industrial applications in this area, there is little work on synthesizing…

Software Engineering · Computer Science 2026-04-21 Zeeshan Rasheeda , Muhammad Waseema , Kai-Kristian Kemella , Mika Saari , Pekka Abrahamsson

Accurately understanding and deciding high-level meta-actions is essential for ensuring reliable and safe autonomous driving systems. While vision-language models (VLMs) have shown significant potential in various autonomous driving tasks,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Yujin Wang , Quanfeng Liu , Zhengxin Jiang , Tianyi Wang , Junfeng Jiao , Hongqing Chu , Bingzhao Gao , Hong Chen

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…

Biomolecules · Quantitative Biology 2023-08-25 Nikolai Schapin , Maciej Majewski , Alejandro Varela , Carlos Arroniz , Gianni De Fabritiis

We introduce V-Agent, a novel multi-agent platform designed for advanced video search and interactive user-system conversations. By fine-tuning a vision-language model (VLM) with a small video preference dataset and enhancing it with a…

Computer Vision and Pattern Recognition · Computer Science 2026-01-08 SunYoung Park , Jong-Hyeon Lee , Youngjune Kim , Daegyu Sung , Younghyun Yu , Young-rok Cha , Jeongho Ju

Adversarial training (AT) is a prominent technique employed by deep learning models to defend against adversarial attacks, and to some extent, enhance model robustness. However, there are three main drawbacks of the existing AT-based…

Image and Video Processing · Electrical Eng. & Systems 2026-03-31 X. Peng , D. Zhou , G. Sun , J. Shi , L. Wu

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Recent advancements in Large Language Models (LLMs) are transforming biology, computer science, engineering, and every day life. However, integrating the wide array of computational tools, databases, and scientific literature continues to…

Large language models (LLMs) have achieved impressive results in natural language understanding, yet their reasoning capabilities remain limited when operating as single agents. Multi-Agent Debate (MAD) has been proposed to address this…

Computation and Language · Computer Science 2026-03-25 Xiao Wang , Jia Wang , Yijie Wang , Pengtao Dang , Sha Cao , Chi Zhang

Accessibility remains a critical concern in today's society, as many technologies are not developed to support the full range of user needs. Existing multi-agent systems (MAS) often cannot provide comprehensive assistance for users in need…

Multiagent Systems · Computer Science 2025-07-16 Aleksandr Algazinov , Matt Laing , Paul Laban

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Large Language Models (LLMs) have attained human-level fluency in text generation, which complicates the distinguishing between human-written and LLM-generated texts. This increases the risk of misuse and highlights the need for reliable…

Machine Learning · Computer Science 2025-11-19 Zheng Chen , Yushi Feng , Jisheng Dang , Yue Deng , Changyang He , Hongxi Pu , Haoxuan Li , Bo Li

During job recruitment, traditional applicant selection methods often lack transparency. Candidates are rarely given sufficient justifications for recruiting decisions, whether they are made manually by human recruiters or through the use…

Computers and Society · Computer Science 2025-05-28 Aditya Bhattacharya , Katrien Verbert

Anomaly detection (AD) is an important machine learning task with many real-world uses, including fraud detection, medical diagnosis, and industrial monitoring. Within natural language processing (NLP), AD helps detect issues like spam,…

Computation and Language · Computer Science 2025-10-13 Tiankai Yang , Yi Nian , Shawn Li , Ruiyao Xu , Yuangang Li , Jiaqi Li , Zhuo Xiao , Xiyang Hu , Ryan Rossi , Kaize Ding , Xia Hu , Yue Zhao

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

This paper presents the Model Gateway, a management platform for managing machine learning (ML) and scientific computational models in the drug discovery pipeline. The platform supports Large Language Model (LLM) Agents and Generative…

Software Engineering · Computer Science 2025-12-08 Yan-Shiun Wu , Nathan A. Morin

Designing autonomous driving systems requires efficient exploration of large hardware/software configuration spaces under diverse environmental conditions, e.g., with varying traffic, weather, and road layouts. Traditional design space…

Robotics · Computer Science 2025-12-10 Po-An Shih , Shao-Hua Wang , Yung-Che Li , Chia-Heng Tu , Chih-Han Chang

Evaluating large language models (LLM) in clinical scenarios is crucial to assessing their potential clinical utility. Existing benchmarks rely heavily on static question-answering, which does not accurately depict the complex, sequential…

Human-Computer Interaction · Computer Science 2025-05-27 Samuel Schmidgall , Rojin Ziaei , Carl Harris , Eduardo Reis , Jeffrey Jopling , Michael Moor
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