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Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

Machine Learning · Computer Science 2026-02-09 Yingming Pu , Tao Lin , Hongyu Chen

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and…

Artificial Intelligence · Computer Science 2023-12-20 Mehrad Ansari , Seyed Mohamad Moosavi

The efficacy of AI agents in healthcare research is hindered by their reliance on static, predefined strategies. This creates a critical limitation: agents can become better tool-users but cannot learn to become better strategic planners, a…

Artificial Intelligence · Computer Science 2025-08-08 Huiya Zhao , Yinghao Zhu , Zixiang Wang , Yasha Wang , Junyi Gao , Liantao Ma

This paper details two novel frameworks for developing autonomous, agentic AI in scientific workflows. Both systems leverage a hybrid Local Body, Remote Brain architecture via Google Colab, utilizing Python-based local orchestrators to…

Artificial Intelligence · Computer Science 2026-05-27 Judy Fox , Geoffrey Fox

AlphaEvolve and FunSearch have demonstrated the potential of combining large language models (LLMs) with evolutionary search for automated algorithm discovery. However, discovery success is shaped not only by model capability but also…

Software Engineering · Computer Science 2026-05-18 Yoichi Ishibashi , Taro Yano , Masafumi Oyamada

Clinical image interpretation is inherently multi-step and tool-centric: clinicians iteratively combine visual evidence with patient context, quantify findings, and refine their decisions through a sequence of specialized procedures. While…

Artificial Intelligence · Computer Science 2026-03-09 Lin Fan , Pengyu Dai , Zhipeng Deng , Haolin Wang , Xun Gong , Yefeng Zheng , Yafei Ou

The rapid advancement of large language models (LLMs) has transformed the landscape of agentic information seeking capabilities through the integration of tools such as search engines and web browsers. However, current mainstream approaches…

Computation and Language · Computer Science 2025-05-29 Dingchu Zhang , Yida Zhao , Jialong Wu , Baixuan Li , Wenbiao Yin , Liwen Zhang , Yong Jiang , Yufeng Li , Kewei Tu , Pengjun Xie , Fei Huang

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can…

Artificial Intelligence · Computer Science 2025-06-25 Gyeongwon James Kim , Alex Wilf , Louis-Philippe Morency , Daniel Fried

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…

Materials Science · Physics 2022-06-20 Rohan Casukhela , Sriram Vijayan , Joerg R. Jinschek , Stephen R. Niezgoda

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

OrbWeaver, an automatic knowledge extraction system paired with a human interface, streamlines the use of unintuitive natural language processing software for modeling systems from their documentation. OrbWeaver enables the indirect…

Human-Computer Interaction · Computer Science 2021-04-12 Steve Schmidt , Denley Lam , Patrick Hayden

Variational autoencoders are powerful algorithms for identifying dominant latent structure in a single dataset. In many applications, however, we are interested in modeling latent structure and variation that are enriched in a target…

Machine Learning · Computer Science 2019-02-14 Abubakar Abid , James Zou

In the era of data-driven decision-making, the complexity of data analysis necessitates advanced expertise and tools of data science, presenting significant challenges even for specialists. Large Language Models (LLMs) have emerged as…

Artificial Intelligence · Computer Science 2024-02-28 Yuge Zhang , Qiyang Jiang , Xingyu Han , Nan Chen , Yuqing Yang , Kan Ren

Deep learning models excel at detecting anomaly patterns in normal data. However, they do not provide a direct solution for anomaly classification and scalability across diverse control systems, frequently failing to distinguish genuine…

Artificial Intelligence · Computer Science 2026-04-06 Jiyong Kwon , Ujin Jeon , Sooji Lee , Guang Lin

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables,…

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

The presence of decision-making algorithms in society is rapidly increasing nowadays, while concerns about their transparency and the possibility of these algorithms becoming new sources of discrimination are arising. In fact, many relevant…

Computer Vision and Pattern Recognition · Computer Science 2020-04-16 Alejandro Peña , Ignacio Serna , Aythami Morales , Julian Fierrez

Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing…