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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

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Recent advances in large language models (LLMs) have given rise to powerful coding agents, making it possible for code assistants to evolve into code engineers. However, existing methods still face significant challenges in achieving…

Software Engineering · Computer Science 2025-12-10 Zongwei Li , Zhonghang Li , Zirui Guo , Xubin Ren , Chao Huang

Experience-driven self-evolving agents aim to overcome the static nature of large language models by distilling reusable experience from past interactions, thus enabling adaptation to novel tasks at deployment time. This process places…

Artificial Intelligence · Computer Science 2026-05-12 Zhiyuan Fan , Wenwei Jin , Feng Zhang , Bin Li , Yihong Dong , Yao Hu , Jiawei Li

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial Intelligence · Computer Science 2026-01-28 Lukas Weidener , Marko Brkić , Mihailo Jovanović , Ritvik Singh , Chiara Baccin , Emre Ulgac , Alex Dobrin , Aakaash Meduri

Large language models (LLMs) have been increasingly applied to tasks in language understanding and interactive decision-making, with their impressive performance largely attributed to the extensive domain knowledge embedded within them.…

Artificial Intelligence · Computer Science 2024-10-16 Zhiyuan Sun , Haochen Shi , Marc-Alexandre Côté , Glen Berseth , Xingdi Yuan , Bang Liu

Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…

Digital Libraries · Computer Science 2026-05-13 Haoxuan Zhang , Ruochi Li , Yang Zhang , Ting Xiao , Jiangping Chen , Junhua Ding , Haihua Chen

The transition from static Large Language Models (LLMs) to self-improving agents is hindered by the lack of structured reasoning in traditional evolutionary approaches. Existing methods often struggle with premature convergence and…

Artificial Intelligence · Computer Science 2026-01-01 Chunhui Wan , Xunan Dai , Zhuo Wang , Minglei Li , Yanpeng Wang , Yinan Mao , Yu Lan , Zhiwen Xiao

We study how large language models can be used to evolve inventory policies in online, non-stationary environments. Our work is motivated by recent advances in LLM-based evolutionary search, such as AlphaEvolve, which demonstrates strong…

Machine Learning · Computer Science 2026-05-12 Chenyu Huang , Jianghao Lin , Zhengyang Tang , Bo Jiang , Ruoqing Jiang , Benyou Wang , Lai Wei

The paradigm of automated program generation is shifting from one-shot generation to inference-time search, where Large Language Models (LLMs) function as semantic mutation operators within evolutionary loops. While effective, these systems…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Mert Cemri , Shubham Agrawal , Akshat Gupta , Shu Liu , Audrey Cheng , Qiuyang Mang , Ashwin Naren , Lutfi Eren Erdogan , Koushik Sen , Matei Zaharia , Alex Dimakis , Ion Stoica

Artificial intelligence offers powerful new tools for scientific discovery, but the interaction paradigms required to effectively harness these systems remain underexplored. In this paper, we present findings from a formative user study…

Artificial Intelligence · Computer Science 2026-05-08 Alex Bäuerle , Adam Connors , Alexander Novikov , Adam Zsolt Wagner , Ngân Vũ , Fernanda Viegas , Martin Wattenberg , Lucas Dixon

Augmenting large language models (LLMs) with browsing tools substantially improves their potential as deep search agents to solve complex, real-world tasks. Yet, open LLMs still perform poorly in such settings due to limited long-horizon…

Computation and Language · Computer Science 2025-10-15 Rui Lu , Zhenyu Hou , Zihan Wang , Hanchen Zhang , Xiao Liu , Yujiang Li , Shi Feng , Jie Tang , Yuxiao Dong

Recent work such as AlphaEvolve has shown that combining LLM-driven optimization with evolutionary search can effectively improve programs, prompts, and algorithms across domains. In this paradigm, previously evaluated solutions are reused…

Evolutionary agentic systems intensify the trade-off between computational efficiency and reasoning capability by repeatedly invoking large language models (LLMs) during inference. This setting raises a central question: how can an agent…

Computation and Language · Computer Science 2026-04-27 Pretam Ray , Pratik Prabhanjan Brahma , Zicheng Liu , Emad Barsoum

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Artificial Intelligence · Computer Science 2025-04-02 Seyoung Song

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Large language models have become drivers of evolutionary search, but most systems rely on a fixed, prompt-elicited policy to sample next candidates. This limits adaptation in practical engineering and research tasks, where evaluations are…

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents…

Technology mapping is a critical yet challenging stage in logic synthesis. While Large Language Models (LLMs) have been applied to generate optimization scripts, their potential for core algorithm enhancement remains untapped. We introduce…

Computational Engineering, Finance, and Science · Computer Science 2026-04-30 Rongliang Fu , Yi Liu , Qiang Xu , Tsung-Yi Ho

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao