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Advances in large language models (LLMs) have created new opportunities in data science, but their deployment is often limited by the challenge of finding relevant data in large data lakes. Existing methods struggle with this: both single-…

Multiagent Systems · Computer Science 2026-02-03 Alireza Salemi , Mihir Parmar , Palash Goyal , Yiwen Song , Jinsung Yoon , Hamed Zamani , Tomas Pfister , Hamid Palangi

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Biomolecules · Quantitative Biology 2025-03-06 Jiajun Yu , Yizhen Zheng , Huan Yee Koh , Shirui Pan , Tianyue Wang , Haishuai Wang

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

In recent years, large language models (LLMs) have driven major advances in language understanding, marking a significant step toward artificial general intelligence (AGI). With increasing demands for higher-level semantics and cross-modal…

Computation and Language · Computer Science 2025-09-30 Yuntao Shou , Tao Meng , Wei Ai , Keqin Li

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

Enhancing fuel efficiency in public transportation requires the integration of complex multimodal data into interpretable, decision-relevant insights. However, traditional analytics and visualization methods often yield fragmented outputs…

Artificial Intelligence · Computer Science 2025-11-18 Zhipeng Ma , Ali Rida Bahja , Andreas Burgdorf , André Pomp , Tobias Meisen , Bo Nørregaard Jørgensen , Zheng Grace Ma

Large Language Models (LLMs) have shown immense potential in education, automating tasks like quiz generation and content summarization. However, generating effective presentation slides introduces unique challenges due to the complexity of…

Artificial Intelligence · Computer Science 2025-11-14 Eric Xie , Danielle Waterfield , Michael Kennedy , Aidong Zhang

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

The exploration of multimodal language models integrates multiple data types, such as images, text, language, audio, and other heterogeneity. While the latest large language models excel in text-based tasks, they often struggle to…

Artificial Intelligence · Computer Science 2023-11-23 Jiayang Wu , Wensheng Gan , Zefeng Chen , Shicheng Wan , Philip S. Yu

A multi-agent AI model is used to automate the discovery of new metallic alloys, integrating multimodal data and external knowledge including insights from physics via atomistic simulations. Our multi-agent system features three key…

Materials Science · Physics 2024-10-18 Alireza Ghafarollahi , Markus J. Buehler

The rapid evolution of Retrieval-Augmented Generation (RAG) toward multimodal, high-stakes enterprise applications has outpaced the development of domain specific evaluation benchmarks. Existing datasets often rely on general-domain corpora…

Artificial Intelligence · Computer Science 2026-01-23 Chandan Kumar Sahu , Premith Kumar Chilukuri , Matthew Hetrich

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…

The era of intelligent agents is upon us, driven by revolutionary advancements in large language models. Large Language Model (LLM) agents, with goal-driven behaviors and dynamic adaptation capabilities, potentially represent a critical…

State-of-the-art multimodal web agents, powered by Multimodal Large Language Models (MLLMs), can autonomously execute many web tasks by processing user instructions and interacting with graphical user interfaces (GUIs). Current strategies…

Artificial Intelligence · Computer Science 2024-11-21 Gaurav Verma , Rachneet Kaur , Nishan Srishankar , Zhen Zeng , Tucker Balch , Manuela Veloso

Real-world visualization tasks involve complex, multi-modal requirements that extend beyond simple text-to-chart generation, requiring reference images, code examples, and iterative refinement. Current systems exhibit fundamental…

Computation and Language · Computer Science 2026-01-27 Jinwei Lu , Yuanfeng Song , Chen Zhang , Raymond Chi-Wing Wong

In this paper, we present a novel framework for enhancing the capabilities of large language models (LLMs) by leveraging the power of multi-agent systems. Our framework introduces a collaborative environment where multiple intelligent agent…

Artificial Intelligence · Computer Science 2023-06-07 Yashar Talebirad , Amirhossein Nadiri

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a…

Computation and Language · Computer Science 2025-10-21 Ming Hu , Chenglong Ma , Wei Li , Wanghan Xu , Jiamin Wu , Jucheng Hu , Tianbin Li , Guohang Zhuang , Jiaqi Liu , Yingzhou Lu , Ying Chen , Chaoyang Zhang , Cheng Tan , Jie Ying , Guocheng Wu , Shujian Gao , Pengcheng Chen , Jiashi Lin , Haitao Wu , Lulu Chen , Fengxiang Wang , Yuanyuan Zhang , Xiangyu Zhao , Feilong Tang , Encheng Su , Junzhi Ning , Xinyao Liu , Ye Du , Changkai Ji , Pengfei Jiang , Cheng Tang , Ziyan Huang , Jiyao Liu , Jiaqi Wei , Yuejin Yang , Xiang Zhang , Guangshuai Wang , Yue Yang , Huihui Xu , Ziyang Chen , Yizhou Wang , Chen Tang , Jianyu Wu , Yuchen Ren , Siyuan Yan , Zhonghua Wang , Zhongxing Xu , Shiyan Su , Shangquan Sun , Runkai Zhao , Zhisheng Zhang , Dingkang Yang , Jinjie Wei , Jiaqi Wang , Jiahao Xu , Jiangtao Yan , Wenhao Tang , Hongze Zhu , Yu Liu , Fudi Wang , Yiqing Shen , Yuanfeng Ji , Yanzhou Su , Tong Xie , Hongming Shan , Chun-Mei Feng , Zhi Hou , Diping Song , Lihao Liu , Yanyan Huang , Lequan Yu , Bin Fu , Shujun Wang , Xiaomeng Li , Xiaowei Hu , Yun Gu , Ben Fei , Benyou Wang , Yuewen Cao , Minjie Shen , Jie Xu , Haodong Duan , Fang Yan , Hongxia Hao , Jielan Li , Jiajun Du , Yanbo Wang , Imran Razzak , Zhongying Deng , Chi Zhang , Lijun Wu , Conghui He , Zhaohui Lu , Jinhai Huang , Wenqi Shao , Yihao Liu , Siqi Luo , Yi Xin , Xiaohong Liu , Fenghua Ling , Yuqiang Li , Aoran Wang , Siqi Sun , Qihao Zheng , Nanqing Dong , Tianfan Fu , Dongzhan Zhou , Yan Lu , Wenlong Zhang , Jin Ye , Jianfei Cai , Yirong Chen , Wanli Ouyang , Yu Qiao , Zongyuan Ge , Shixiang Tang , Junjun He , Chunfeng Song , Lei Bai , Bowen Zhou

Chart summarization is crucial for enhancing data accessibility and the efficient consumption of information. However, existing methods, including those with Multimodal Large Language Models (MLLMs), primarily focus on low-level data…

Artificial Intelligence · Computer Science 2026-02-24 Yuhang Bai , Yujuan Ding , Shanru Lin , Wenqi Fan

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

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