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Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

The discovery of symbolic solutions -- mathematical expressions, logical rules, and algorithmic structures -- is fundamental to advancing scientific and engineering progress. However, traditional methods often struggle with search…

Artificial Intelligence · Computer Science 2025-11-17 Ping Guo , Qingfu Zhang , Xi Lin

Existing prompt-optimization techniques rely on local signals to update behavior, often neglecting broader and recurring patterns across tasks, leading to poor generalization; they further rely on full-prompt rewrites or unstructured…

Software Engineering · Computer Science 2026-03-24 Balaji Dinesh Gangireddi , Aniketh Garikaparthi , Manasi Patwardhan , Arman Cohan

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

The prevailing model for disseminating scientific knowledge relies on individual publications dispersed across numerous journals and archives. This legacy system is ill suited to the recent exponential proliferation of publications,…

Code evolution is inevitable in modern software development. Changes to third-party APIs frequently break existing code and complicate maintenance, posing practical challenges for developers. While large language models (LLMs) have shown…

Software Engineering · Computer Science 2026-03-10 Jiazhen Kang , Yuchen Lu , Chen Jiang , Jinrui Liu , Tianhao Zhang , Bo Jiang , Ningyuan Sun , Tongtong Wu , Guilin Qi

AlphaEvolve (Novikov et al., 2025) is a generic evolutionary coding agent that combines the generative capabilities of LLMs with automated evaluation in an iterative evolutionary framework that proposes, tests, and refines algorithmic…

Neural and Evolutionary Computing · Computer Science 2025-12-23 Bogdan Georgiev , Javier Gómez-Serrano , Terence Tao , Adam Zsolt Wagner

Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve (Novikov et al., 2025; Georgiev et al., 2025), have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging…

Neural and Evolutionary Computing · Computer Science 2025-11-25 Valentin Khrulkov , Andrey Galichin , Denis Bashkirov , Dmitry Vinichenko , Oleg Travkin , Roman Alferov , Andrey Kuznetsov , Ivan Oseledets

Causal inference is central to scientific discovery, yet choosing appropriate methods remains challenging because of the complexity of both statistical methodology and real-world data. Inspired by the success of artificial intelligence in…

Artificial Intelligence · Computer Science 2026-04-07 Can Wang , Hongyu Zhao , Yiqun Chen

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces…

The availability of tera-byte scale experiment data calls for AI driven approaches which automatically discover scientific models from data. Nonetheless, significant challenges present in AI-driven scientific discovery: (i) The annotation…

Computer Vision and Pattern Recognition · Computer Science 2023-11-23 Md Nasim , Anter El-Azab , Xinghang Zhang , Yexiang Xue

The central challenge of AI for Science is not reasoning alone, but the ability to create computational methods in an open-ended scientific world. Existing LLM-based agents rely on static, pre-defined tool libraries, a paradigm that…

Artificial Intelligence · Computer Science 2026-01-13 Jiaxuan Lu , Ziyu Kong , Yemin Wang , Rong Fu , Haiyuan Wan , Cheng Yang , Wenjie Lou , Haoran Sun , Lilong Wang , Yankai Jiang , Xiaosong Wang , Xiao Sun , Dongzhan Zhou

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are…

Artificial Intelligence · Computer Science 2026-05-01 Shuxing Yang , Fujia Chen , Rui Zhao , Junyao Wu , Yize Wang , Haiyao Luo , Ning Han , Qiaolu Chen , Yuze Hu , Wenhao Li , Mingzhu Li , Hongsheng Chen , Yihao Yang

Automated algorithm discovery in scientific computing faces fundamental challenges: vast design spaces with expensive evaluations, domain-specific physical constraints requiring expert knowledge, and the necessity for interpretable…

Artificial Intelligence · Computer Science 2025-11-18 He Wang , Liang Zeng

Scientific writing is an iterative process that generates rich revision traces, yet publicly available resources typically expose only final or near-final versions of papers. This limits empirical study of revision behaviour and evaluation…

Computation and Language · Computer Science 2026-03-31 Léane Jourdan , Julien Aubert-Béduchaud , Yannis Chupin , Marah Baccari , Florian Boudin

Scientific data processing often requires task-specific algorithms or AI models, creating a barrier for domain scientists who need to analyze their data but may not have extensive computing or image-processing expertise. This barrier is…

Artificial Intelligence · Computer Science 2026-05-26 Ming Du , Xiangyu Yin , Yanqi Luo , Dishant Beniwal , Songyuan Tang , Hemant Sharma , Mathew J. Cherukara

In the past decade, many scientific news media that report scientific breakthroughs and discoveries emerged, bringing science and technology closer to the general public. However, not all scientific news article cites proper sources, such…

Information Retrieval · Computer Science 2022-05-03 Md Reshad Ul Hoque , Jiang Li , Jian Wu

Rooted in the explosion of deep learning over the past decade, this thesis spans from AlphaGo to ChatGPT to empirically examine the fundamental concepts needed to realize the vision of an artificial scientist: a machine with the capacity to…

Artificial Intelligence · Computer Science 2025-05-02 Antonio Norelli

LLM-driven program evolution has emerged as a powerful tool for automated scientific discovery, yet existing frameworks offer no principled guide for designing their individual components and provide no guarantee that the search converges.…

Artificial Intelligence · Computer Science 2026-05-18 Jiachen Jiang , Huminhao Zhu , Zhihui Zhu

Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigger drastic property shifts. Current representation learning,…

Machine Learning · Computer Science 2026-03-26 Xiangsen Chen , Ruilong Wu , Yanyan Lan , Ting Ma , Yang Liu
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