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Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

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

The advent of large language models (LLMs) revolutionized natural language processing applications, and running LLMs on edge devices has become increasingly attractive for reasons including reduced latency, data localization, and…

Computation and Language · Computer Science 2024-09-17 Jiajun Xu , Zhiyuan Li , Wei Chen , Qun Wang , Xin Gao , Qi Cai , Ziyuan Ling

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

As quantum computing advances, quantum programming libraries' heterogeneity and steady evolution create new challenges for software developers. Frequent updates in software libraries break working code that needs to be refactored, thus…

Software Engineering · Computer Science 2025-06-10 José Manuel Suárez , Luís Mariano Bibbó , Joaquín Bogado , Alejandro Fernandez

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

The understanding of large-scale scientific software poses significant challenges due to its diverse codebase, extensive code length, and target computing architectures. The emergence of generative AI, specifically large language models…

Software Engineering · Computer Science 2024-03-19 Kareem Shaik , Dali Wang , Weijian Zheng , Qinglei Cao , Heng Fan , Peter Schwartz , Yunhe Feng

The adoption of Large Language Models (LLMs) is reshaping software development as developers integrate these LLMs into their applications. In such applications, prompts serve as the primary means of interacting with LLMs. Despite the…

Software Engineering · Computer Science 2025-01-14 Mahan Tafreshipour , Aaron Imani , Eric Huang , Eduardo Almeida , Thomas Zimmermann , Iftekhar Ahmed

Large language models (LLMs) are widely applied in chatbots, code generators, and search engines. Workload such as chain-of-throught, complex reasoning, agent services significantly increase the inference cost by invoke the model…

Computation and Language · Computer Science 2025-11-27 Sihyeong Park , Sungryeol Jeon , Chaelyn Lee , Seokhun Jeon , Byung-Soo Kim , Jemin Lee

With the breakthroughs in large language models (LLMs), query generation techniques that expand documents and queries with related terms are becoming increasingly popular in the information retrieval field. Such techniques have been shown…

Information Retrieval · Computer Science 2025-07-16 Adam Yang , Gustavo Penha , Enrico Palumbo , Hugues Bouchard

Algorithms that use Large Language Models (LLMs) to evolve code arrived on the Genetic Programming (GP) scene very recently. We present LLM GP, a formalized LLM-based evolutionary algorithm designed to evolve code. Like GP, it uses…

Neural and Evolutionary Computing · Computer Science 2024-01-17 Erik Hemberg , Stephen Moskal , Una-May O'Reilly

Large language model (LLM)-based evolution is a promising approach for open-ended discovery, where progress requires sustained search and knowledge accumulation. Existing methods still rely heavily on fixed heuristics and hard-coded…

In recent times, the grandeur of Large Language Models (LLMs) has not only shone in the realm of natural language processing but has also cast its brilliance across a vast array of applications. This remarkable display of LLM capabilities…

Computation and Language · Computer Science 2024-03-22 Hanieh Alipour , Nick Pendar , Kohinoor Roy

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

Large Language Models (LLMs) enable unprecedented social science experimentation by creating controlled hybrid human-AI environments. We introduce Epitome (www.epitome-ai.com), an open experimental platform that operationalizes this…

Computers and Society · Computer Science 2025-12-25 Jingjing Qu , Kejia Hu , Jun Zhu , Yulei Ye , Wenhao Li , Teng Wang , Zhiyun Chen , Chaochao Lu , Aimin Zhou , Xiangfeng Wang , Xia Hu , James Evans

Large language models (LLMs) have significantly improved code generation, particularly in one-pass code generation. However, most existing approaches focus solely on generating code in a single programming language, overlooking the…

Computation and Language · Computer Science 2024-09-09 Tengfei Xue , Xuefeng Li , Tahir Azim , Roman Smirnov , Jianhui Yu , Arash Sadrieh , Babak Pahlavan

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…

Inference-time computation is a powerful paradigm to enhance the performance of large language models (LLMs), with Best-of-N sampling being a widely used technique. However, this method is computationally expensive, requiring both (1) an…

Computation and Language · Computer Science 2024-10-04 Rohin Manvi , Anikait Singh , Stefano Ermon

Combining large language models during training or at inference time has shown substantial performance gain over component LLMs. This paper presents LLM-TOPLA, a diversity-optimized LLM ensemble method with three unique properties: (i) We…

Computation and Language · Computer Science 2024-10-08 Selim Furkan Tekin , Fatih Ilhan , Tiansheng Huang , Sihao Hu , Ling Liu

Large Language Models (LLMs) have recently shown remarkable capabilities in various software engineering tasks, spurring the rapid growth of the Large Language Models for Software Engineering (LLM4SE) area. However, limited attention has…

Software Engineering · Computer Science 2024-12-05 Jieke Shi , Zhou Yang , David Lo