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Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

LLM-based multi-agent systems (MAS) extend the capabilities of single LLMs by enabling cooperation among multiple specialized agents. However, most existing MAS frameworks rely on a single LLM to drive all agents, constraining the system's…

Artificial Intelligence · Computer Science 2025-05-23 Rui Ye , Xiangrui Liu , Qimin Wu , Xianghe Pang , Zhenfei Yin , Lei Bai , Siheng Chen

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

Scientific research increasingly relies on specialized computational tools, yet effectively utilizing these tools demands substantial domain expertise. While Large Language Models (LLMs) show promise in tool automation, they struggle to…

Artificial Intelligence · Computer Science 2025-07-29 Keyan Ding , Jing Yu , Junjie Huang , Yuchen Yang , Qiang Zhang , Huajun Chen

We aim to develop a multimodal research agent capable of explicit reasoning and planning, multi-tool invocation, and cross-modal information synthesis, enabling it to conduct deep research tasks. However, we observe three main challenges in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Huanjin Yao , Qixiang Yin , Min Yang , Ziwang Zhao , Yibo Wang , Haotian Luo , Jingyi Zhang , Jiaxing Huang

The integration of Large Language Models (LLMs) with specialized tools presents new opportunities for intelligent automation systems. However, orchestrating multiple LLM-driven agents to tackle complex tasks remains challenging due to…

Artificial Intelligence · Computer Science 2025-03-27 Pengfei Du

Large Language Models (LLMs) and Visual Language Models (VLMs) are attracting increasing interest due to their improving performance and applications across various domains and tasks. However, LLMs and VLMs can produce erroneous results,…

Artificial Intelligence · Computer Science 2024-12-31 Michele Brienza , Francesco Argenziano , Vincenzo Suriani , Domenico D. Bloisi , Daniele Nardi

The rapid advancement of intelligent agents and Large Language Models (LLMs) is reshaping the pervasive computing field. Their ability to perceive, reason, and act through natural language understanding enables autonomous problem-solving in…

Artificial Intelligence · Computer Science 2025-12-19 Gianni Molinari , Fabio Ciravegna

As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between…

Artificial Intelligence · Computer Science 2025-10-07 Yanjie Fu , Dongjie Wang , Wangyang Ying , Xinyuan Wang , Xiangliang Zhang , Huan Liu , Jian Pei

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability…

Multimodal clinical reasoning in the field of gastrointestinal (GI) oncology necessitates the integrated interpretation of endoscopic imagery, radiological data, and biochemical markers. Despite the evident potential exhibited by Multimodal…

The unprecedented advancements in Multimodal Large Language Models (MLLMs) have demonstrated strong potential in interacting with humans through both language and visual inputs to perform downstream tasks such as visual question answering…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Wenjia Xu , Zijian Yu , Boyang Mu , Zhiwei Wei , Yuanben Zhang , Guangzuo Li , Jiuniu Wang , Mugen Peng

The rapid progress of Multimodal Large Language Models(MLLMs) has transformed the AI landscape. These models combine pre-trained LLMs with various modality encoders. This integration requires a systematic understanding of how different…

Computation and Language · Computer Science 2025-06-06 Jisu An , Junseok Lee , Jeoungeun Lee , Yongseok Son

Research interest in autonomous agents is on the rise as an emerging topic. The notable achievements of Large Language Models (LLMs) have demonstrated the considerable potential to attain human-like intelligence in autonomous agents.…

Multiagent Systems · Computer Science 2025-01-30 Hung Du , Srikanth Thudumu , Rajesh Vasa , Kon Mouzakis

This study introduces LLM4DESIGN, a highly automated system for generating architectural and environmental design proposals. LLM4DESIGN, relying solely on site conditions and design requirements, employs Multi-Agent systems to foster…

Human-Computer Interaction · Computer Science 2024-07-18 Ran Chen , Xueqi Yao , Xuhui Jiang

The exponential growth of scientific knowledge has created significant barriers to cross-disciplinary knowledge discovery, synthesis and research collaboration. In response to this challenge, we present BioSage, a novel compound AI…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

We propose LLM-Interleaved (LLM-I), a flexible and dynamic framework that reframes interleaved image-text generation as a tool-use problem. LLM-I is designed to overcome the "one-tool" bottleneck of current unified models, which are limited…

Machine Learning · Computer Science 2025-09-18 Zirun Guo , Feng Zhang , Kai Jia , Tao Jin

Large language models (LLMs) are at the forefront of transforming numerous domains globally. However, their inclusivity and effectiveness remain limited for non-Latin scripts and low-resource languages. This paper tackles the imperative…

Computation and Language · Computer Science 2025-01-08 Somnath Kumar , Vaibhav Balloli , Mercy Ranjit , Kabir Ahuja , Tanuja Ganu , Sunayana Sitaram , Kalika Bali , Akshay Nambi

Topological materials occupy a frontier in condensed-matter physics thanks to their remarkable electronic and quantum properties, yet their cross-scale design remains bottlenecked by inefficient discovery workflows. Here, we introduce…

Materials Science · Physics 2025-07-08 Baohua Zhang , Xin Li , Huangchao Xu , Zhong Jin , Quansheng Wu , Ce Li
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