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Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Large Language Models (LLMs) equipped with web search capabilities have demonstrated impressive potential for deep research tasks. However, current approaches predominantly rely on either manually engineered prompts (prompt…

Artificial Intelligence · Computer Science 2025-04-18 Yuxiang Zheng , Dayuan Fu , Xiangkun Hu , Xiaojie Cai , Lyumanshan Ye , Pengrui Lu , Pengfei Liu

2026 has brought an explosion of interest in LLM-guided evolution of agentic artifacts, with systems like GEPA and Autoresearch demonstrating that LLMs can iteratively improve prompts, code, and agent architectures across diverse domains.…

Artificial Intelligence · Computer Science 2026-04-07 Andrew Borthwick , Stephen Ash , Anthony Galczak

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Large language model (LLM)-based search agents have proven promising for addressing knowledge-intensive problems by incorporating information retrieval capabilities. Existing works largely focus on optimizing the reasoning paradigms of…

Artificial Intelligence · Computer Science 2026-01-09 Tongyu Wen , Guanting Dong , Zhicheng Dou

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Artificial Intelligence · Computer Science 2026-05-26 Maximilian Nägele , Florian Marquardt

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

Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve, have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging optimization problems. In this article, we…

Neural and Evolutionary Computing · Computer Science 2026-02-12 Alexey Kravatskiy , Valentin Khrulkov , Ivan Oseledets

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Artificial Intelligence · Computer Science 2025-11-04 Jiaye Lin , Yifu Guo , Yuzhen Han , Sen Hu , Ziyi Ni , Licheng Wang , Mingguang Chen , Hongzhang Liu , Ronghao Chen , Yangfan He , Daxin Jiang , Binxing Jiao , Chen Hu , Huacan Wang

Reinforcement learning with verifiable rewards improves reasoning in large language models (LLMs), but many methods still rely on large human-labeled datasets. While self-play reduces this dependency, it often lacks explicit planning and…

Artificial Intelligence · Computer Science 2026-03-18 Yulin Peng , Xinxin Zhu , Chenxing Wei , Nianbo Zeng , Leilei Wang , Ying Tiffany He , F. Richard Yu

LLM-guided evolutionary methods such as AlphaEvolve have proven effective in domains like math, systems research, and algorithmic discovery, but their reliance on frontier models makes each run expensive. We argue this is largely an…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Temoor Tanveer

The increasing inclusion of Deep Learning (DL) models in safety-critical systems such as autonomous vehicles have led to the development of multiple model-based DL testing techniques. One common denominator of these testing techniques is…

Machine Learning · Computer Science 2019-09-09 Houssem Ben Braiek , Foutse khomh

Neuroevolution is one of the methodologies that can be used for learning optimal architecture during training. It uses evolutionary algorithms to generate the topology of artificial neural networks and its parameters. The main benefits are…

Neural and Evolutionary Computing · Computer Science 2022-08-30 M. Pietroń , D. Żurek , K. Faber , R. Corizzo

Large language models (LLMs), have shown strong potential in scientific discovery, yet existing methods still face substantial challenges in the design of research workflows and multi-role collaboration mechanisms. To mitigate these issues,…

Artificial Intelligence · Computer Science 2026-05-26 Xiaoyu Xiong , Yuqi Ren , Deyi Xiong

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Neural and Evolutionary Computing · Computer Science 2024-06-18 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex,…

How can we use AI to discover a new state of the art for a scientific problem? Prior work in test-time scaling, such as AlphaEvolve, performs search by prompting a frozen LLM. We perform reinforcement learning at test time, so the LLM can…

Today's AI systems have human-designed, fixed architectures and cannot autonomously and continuously improve themselves. The advance of AI could itself be automated. If done safely, that would accelerate AI development and allow us to reap…

Artificial Intelligence · Computer Science 2026-03-16 Jenny Zhang , Shengran Hu , Cong Lu , Robert Lange , Jeff Clune

Large language models (LLMs) augmented with external tools are increasingly deployed as deep research agents that gather, reason over, and synthesize web information to answer complex queries. Although recent open-source systems achieve…

Artificial Intelligence · Computer Science 2026-02-24 Yi Wan , Jiuqi Wang , Liam Li , Jinsong Liu , Ruihao Zhu , Zheqing Zhu
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