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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,…

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic…

Artificial Intelligence · Computer Science 2026-05-26 Oguzhan Gungordu , Siheng Xiong , Faramarz Fekri

The emergence of large language models offers new possibilities for structured exploration of scientific knowledge. Rather than viewing scientific discovery as isolated ideas or content, we propose a structured approach that emphasizes the…

Artificial Intelligence · Computer Science 2025-04-15 Junlan Chen , Kexin Zhang , Daifeng Li , Yangyang Feng , Yuxuan Zhang , Bowen Deng

As Large Language Models (LLMs) move from curated training sets into open-ended real-world environments, a fundamental limitation emerges: static training cannot keep pace with continual deployment environment change. Scaling training-time…

Artificial Intelligence · Computer Science 2026-03-17 Minhua Lin , Hanqing Lu , Zhan Shi , Bing He , Rui Mao , Zhiwei Zhang , Zongyu Wu , Xianfeng Tang , Hui Liu , Zhenwei Dai , Xiang Zhang , Suhang Wang , Benoit Dumoulin , Jian Pei

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Scientific discovery increasingly entails long-horizon exploration of complex hypothesis spaces, yet most existing approaches emphasize final performance while offering limited insight into how scientific exploration unfolds over time,…

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains, yet automated agent design remains a significant challenge. Current automated agent design approaches are often constrained by limited search…

Computation and Language · Computer Science 2025-11-21 Yu Li , Lehui Li , Zhihao Wu , Qingmin Liao , Jianye Hao , Kun Shao , Fengli Xu , Yong Li

Despite the promise of autonomous agentic reasoning, existing workflow generation methods frequently produce fragile, unexecutable plans due to unconstrained LLM-driven construction. We introduce MermaidFlow, a framework that redefines the…

Machine Learning · Computer Science 2025-05-30 Chengqi Zheng , Jianda Chen , Yueming Lyu , Wen Zheng Terence Ng , Haopeng Zhang , Yew-Soon Ong , Ivor Tsang , Haiyan Yin

With the rapid advancement of tool-use capabilities in Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) is shifting from static, one-shot retrieval toward autonomous, multi-turn evidence acquisition. However, existing…

Artificial Intelligence · Computer Science 2026-02-13 Zhanli Li , Huiwen Tian , Lvzhou Luo , Yixuan Cao , Ping Luo

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction…

The discovery of extremal structures in mathematics requires navigating vast and nonconvex landscapes where analytical methods offer little guidance and brute-force search becomes intractable. We introduce FlowBoost, a closed-loop…

Combinatorics · Mathematics 2026-01-27 Gergely Bérczi , Baran Hashemi , Jonas Klüver

Automating scientific discovery in complex, experiment-driven domains requires more than iterative mutation of programs; it demands structured hypothesis management, environment interaction, and principled reflection. We present OR-Agent, a…

Artificial Intelligence · Computer Science 2026-02-26 Qi Liu , Ruochen Hao , Can Li , Wanjing Ma

In this paper, we introduce the AI Search Paradigm, a comprehensive blueprint for next-generation search systems capable of emulating human information processing and decision-making. The paradigm employs a modular architecture of four…

Automating the end-to-end scientific research process poses a fundamental challenge: it requires both evolving high-level plans that are novel and sound, and executing these plans correctly amidst dynamic and uncertain conditions. To…

Artificial Intelligence · Computer Science 2025-10-09 Zhi Zhang , Yan Liu , Zhejing Hu , Gong Chen , Sheng-hua Zhong , Jiannong Cao

Loop transformations are semantics-preserving optimization techniques, widely used to maximize objectives such as parallelism. Despite decades of research, applying the optimal composition of loop transformations remains challenging due to…

Programming Languages · Computer Science 2025-12-19 Yijie Zhi , Yayu Cao , Jianhua Dai , Xiaoyang Han , Jingwen Pu , Qingran Wu , Sheng Cheng , Ming Cai

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within…

Machine Learning · Computer Science 2026-05-12 Nikhil Abhyankar , Parshin Shojaee , Chandan K. Reddy

Automatic code optimization remains a difficult challenge, particularly for complex loop nests on modern hardware. This paper investigates a novel approach to code optimization where Large Language Models (LLMs) guide the process through a…

Programming Languages · Computer Science 2025-12-30 Massinissa Merouani , Islem Kara Bernou , Riyadh Baghdadi

We introduce CodeEvolve, an open-source framework that couples large language models with island-based evolutionary search for end-to-end algorithmic discovery. CodeEvolve integrates inspiration-based crossover, meta-prompting, and…

Artificial Intelligence · Computer Science 2026-05-29 Henrique Assumpção , Diego Ferreira , Leandro Campos , Fabricio Murai

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific…

Artificial Intelligence · Computer Science 2025-05-27 Jiabin Tang , Lianghao Xia , Zhonghang Li , Chao Huang

LLM agents require retrieval to behave less like one-shot context fetching and more like reasoning: searching, reading, traversing, and deciding when evidence is sufficient. Yet current Retrieval-Augmented Generation (RAG) systems organize…

Computation and Language · Computer Science 2026-05-27 Haoliang Ming , Feifei Li , Xiaoqing Wu , Wenhui Que
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