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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

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

This study analyzes the multiple functions of Large Language Models (LLMs) in transforming research and development (R&D) processes. By automating knowledge discovery, boosting hypothesis creation, integrating transdisciplinary insights,…

Computation and Language · Computer Science 2025-11-25 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Mahan Rofoosheh , Mohammad Zavvar

Warning: Contains harmful model outputs. Despite significant advancements, the propensity of Large Language Models (LLMs) to generate harmful and unethical content poses critical challenges. Measuring value alignment of LLMs becomes crucial…

Computation and Language · Computer Science 2025-06-12 Han Jiang , Xiaoyuan Yi , Zhihua Wei , Ziang Xiao , Shu Wang , Xing Xie

Large Language Models (LLMs) have demonstrated remarkable performance across diverse tasks and exhibited impressive reasoning abilities by applying zero-shot Chain-of-Thought (CoT) prompting. However, due to the evolving nature of sentence…

Computation and Language · Computer Science 2024-02-09 Feihu Jin , Yifan Liu , Ying Tan

Verilog's design cycle is inherently labor-intensive and necessitates extensive domain expertise. Although Large Language Models (LLMs) offer a promising pathway toward automation, their limited training data and intrinsic sequential…

Artificial Intelligence · Computer Science 2026-01-27 Wei-Po Hsin , Ren-Hao Deng , Yao-Ting Hsieh , En-Ming Huang , Shih-Hao Hung

The Gene-pool Optimal Mixing Evolutionary Algorithm (GOMEA) is a model-based EA framework that has been shown to perform well in several domains, including Genetic Programming (GP). Differently from traditional EAs where variation acts…

Neural and Evolutionary Computing · Computer Science 2021-03-08 Marco Virgolin , Tanja Alderliesten , Cees Witteveen , Peter A. N. Bosman

Large Language Models (LLMs) have demonstrated exceptional performance across diverse natural language processing tasks. However, these models exhibit a critical limitation in output diversity, often generating highly similar content across…

Computation and Language · Computer Science 2025-11-04 Zhiwen Ruan , Yixia Li , Yefeng Liu , Yun Chen , Weihua Luo , Peng Li , Yang Liu , Guanhua Chen

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…

We examine the capability of Multimodal Large Language Models (MLLMs) to tackle diverse domains that extend beyond the traditional language and vision tasks these models are typically trained on. Specifically, our focus lies in areas such…

Machine Learning · Computer Science 2024-12-12 Andrew Szot , Bogdan Mazoure , Omar Attia , Aleksei Timofeev , Harsh Agrawal , Devon Hjelm , Zhe Gan , Zsolt Kira , Alexander Toshev

Tackling complex optimization problems often relies on expert-designed heuristics, typically crafted through extensive trial and error. Recent advances demonstrate that large language models (LLMs), when integrated into well-designed…

Neural and Evolutionary Computing · Computer Science 2025-05-20 Ziyao Huang , Weiwei Wu , Kui Wu , Jianping Wang , Wei-Bin Lee

Autonomous agents operating on the graphical user interfaces (GUIs) of various applications hold immense practical value. Unlike the large language model (LLM)-based methods which rely on structured texts and customized backends, the…

Artificial Intelligence · Computer Science 2024-11-05 Xuetian Chen , Hangcheng Li , Jiaqing Liang , Sihang Jiang , Deqing Yang

Designing heuristics for combinatorial optimization problems (COPs) is a fundamental yet challenging task that traditionally requires extensive domain expertise. Recently, Large Language Model (LLM)-based Automated Heuristic Design (AHD)…

Artificial Intelligence · Computer Science 2026-04-28 Bin Chen , Shouliang Zhu , Beidan Liu , Yong Zhao , Tianle Pu , Huichun Li , Zhengqiu Zhu

Large Language Models are now key assistants in human decision-making processes. However, a common note always seems to follow: "LLMs can make mistakes. Be careful with important info." This points to the reality that not all outputs from…

Computation and Language · Computer Science 2025-05-16 Longchao Da , Parth Mitesh Shah , Kuan-Ru Liou , Jiaxing Zhang , Hua Wei

How to automatically design better machine learning programs is an open problem within AutoML. While evolution has been a popular tool to search for better ML programs, using learning itself to guide the search has been less successful and…

Machine Learning · Computer Science 2024-02-09 John D. Co-Reyes , Yingjie Miao , George Tucker , Aleksandra Faust , Esteban Real

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Leonardo Lucio Custode , Fabio Caraffini , Anil Yaman , Giovanni Iacca

Large language models (LLMs) are pivotal in advancing natural language processing (NLP) tasks, yet their efficacy is hampered by inaccuracies and outdated knowledge. Model editing emerges as a promising solution to address these challenges.…

Computation and Language · Computer Science 2024-02-22 Mengqi Zhang , Xiaotian Ye , Qiang Liu , Pengjie Ren , Shu Wu , Zhumin Chen

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

Trajectory prediction is a crucial task in modeling human behavior, especially in fields as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy, while recently proposed…

Artificial Intelligence · Computer Science 2025-05-08 Zhikai Zhao , Chuanbo Hua , Federico Berto , Kanghoon Lee , Zihan Ma , Jiachen Li , Jinkyoo Park