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A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast…

Artificial Intelligence · Computer Science 2024-09-10 Alireza Ghafarollahi , Markus J. Buehler

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Assisting non-expert users to develop complex interactive websites has become a popular task for LLM-powered code agents. However, existing code agents tend to only generate frontend web pages, masking the lack of real full-stack data…

Software Engineering · Computer Science 2026-02-04 Zimu Lu , Houxing Ren , Yunqiao Yang , Ke Wang , Zhuofan Zong , Mingjie Zhan , Hongsheng Li

Recent developments in Large Language Model (LLM)-based agents have shown impressive capabilities spanning multiple domains, exemplified by deep research systems that demonstrate superior performance on complex information-seeking and…

Computation and Language · Computer Science 2025-09-03 Ailing Yu , Lan Yao , Jingnan Liu , Zhe Chen , Jiajun Yin , Yuan Wang , Xinhao Liao , Zhiling Ye , Ji Li , Yun Yue , Hansong Xiao , Hualei Zhou , Chunxiao Guo , Peng Wei , Junwei Liu , Jinjie Gu

Foundation models have become central to unifying perception and planning in robotics, yet real-world deployment exposes a mismatch between their monolithic assumption that a single model can handle all cognitive functions and the…

Robotics · Computer Science 2025-12-02 Nan Sun , Bo Mao , Yongchang Li , Chenxu Wang , Di Guo , Huaping Liu

We present an autonomous framework that leverages Large Language Models (LLMs) to automate end-to-end business analysis and market report generation. At its core, the system employs specialized agents - Researcher, Reviewer, Writer, and…

Computation and Language · Computer Science 2025-08-05 Roman Koshkin , Pengyu Dai , Nozomi Fujikawa , Masahito Togami , Marco Visentini-Scarzanella

Recent advances in large language models (LLMs) and vision-language models (VLMs) have enabled powerful autonomous agents capable of complex reasoning and multi-modal tool use. Despite their growing capabilities, today's agent frameworks…

Artificial Intelligence · Computer Science 2025-06-12 Peiran Li , Xinkai Zou , Zhuohang Wu , Ruifeng Li , Shuo Xing , Hanwen Zheng , Zhikai Hu , Yuping Wang , Haoxi Li , Qin Yuan , Yingmo Zhang , Zhengzhong Tu

In modern engineering practice, human engineers collaborate in specialized teams to design complex products, with each expert completing their respective tasks while communicating and exchanging results and data with one another. While this…

Artificial Intelligence · Computer Science 2025-11-04 Ran Xu , Yupeng Qi , Jingsen Feng , Xu Chu

Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parameter grid searches, become impractical when operating…

Machine Learning · Computer Science 2025-10-17 Tong Zeng , Srivathsan Badrinarayanan , Janghoon Ock , Cheng-Kai Lai , Amir Barati Farimani

Structure-based drug design is drawing growing attentions in computer-aided drug discovery. Compared with the virtual screening approach where a pre-defined library of compounds are computationally screened, de novo drug design based on the…

Biomolecules · Quantitative Biology 2022-09-14 Kehan Wu , Yingce Xia , Yang Fan , Pan Deng , Haiguang Liu , Lijun Wu , Shufang Xie , Tong Wang , Tao Qin , Tie-Yan Liu

In the field of MLLM-based GUI agents, compared to smartphones, the PC scenario not only features a more complex interactive environment, but also involves more intricate intra- and inter-app workflows. To address these issues, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2025-02-24 Haowei Liu , Xi Zhang , Haiyang Xu , Yuyang Wanyan , Junyang Wang , Ming Yan , Ji Zhang , Chunfeng Yuan , Changsheng Xu , Weiming Hu , Fei Huang

Agentic systems, AI architectures that autonomously execute multi-step workflows to achieve complex goals, are often built using repeated large language model (LLM) calls for closed-set decision tasks such as routing, shortlisting, gating,…

Computation and Language · Computer Science 2026-02-19 Ido Levy , Eilam Shapira , Yinon Goldshtein , Avi Yaeli , Nir Mashkif , Segev Shlomov

Bug localization remains a key bottleneck in downstream software maintenance tasks, including root cause analysis, triage, and automated program repair (APR), despite recent advances in large language model (LLM)-based repair systems.…

Software Engineering · Computer Science 2026-05-19 Md Afif Al Mamun , Gias Uddin

The integration of workflows with large language models (LLMs) enables LLM-based agents to execute predefined procedures, enhancing automation in real-world applications. Traditional rule-based methods tend to limit the inherent flexibility…

Artificial Intelligence · Computer Science 2025-02-21 Yuchen Shi , Siqi Cai , Zihan Xu , Yuei Qin , Gang Li , Hang Shao , Jiawei Chen , Deqing Yang , Ke Li , Xing Sun

Building and deploying machine learning solutions in healthcare remains expensive and labor-intensive due to fragmented preprocessing workflows, model compatibility issues, and stringent data privacy constraints. In this work, we introduce…

Artificial Intelligence · Computer Science 2025-07-25 Soorya Ram Shimgekar , Shayan Vassef , Abhay Goyal , Navin Kumar , Koustuv Saha

Recent advancements in Large Language Models (LLMs) and related technologies such as Retrieval-Augmented Generation (RAG) and Diagram of Thought (DoT) have enabled the creation of autonomous intelligent systems capable of performing cluster…

Artificial Intelligence · Computer Science 2024-11-11 Honghao Shi , Longkai Cheng , Wenli Wu , Yuhang Wang , Xuan Liu , Shaokai Nie , Weixv Wang , Xuebin Min , Chunlei Men , Yonghua Lin

Software development is a complex, multi-phase process traditionally requiring collaboration among individuals with diverse expertise. We propose AgentMesh, a Python-based framework that uses multiple cooperating LLM-powered agents to…

Software Engineering · Computer Science 2025-07-29 Sourena Khanzadeh

Federated learning (FL) allows collaborative model training across healthcare sites without sharing sensitive patient data. However, real-world FL deployment is often hindered by complex operational challenges that demand substantial human…

Machine Learning · Computer Science 2025-09-30 Pramit Saha , Joshua Strong , Divyanshu Mishra , Cheng Ouyang , J. Alison Noble

Large language models (LLMs) excel at natural language tasks but are limited by their static parametric knowledge, especially in knowledge-intensive task. Retrieval-augmented generation (RAG) mitigates this by integrating external…

Artificial Intelligence · Computer Science 2025-10-10 Yi Jiang , Lei Shen , Lujie Niu , Sendong Zhao , Wenbo Su , Bo Zheng

Most existing language model agentic systems today are built and optimized for large language models (e.g., GPT, Claude, Gemini) via API calls. While powerful, this approach faces several limitations including high token costs and privacy…

Computation and Language · Computer Science 2026-02-03 Gaurav Srivastava , Aafiya Hussain , Chi Wang , Yingyan Celine Lin , Xuan Wang
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