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Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Artificial Intelligence · Computer Science 2025-11-04 Jiaye Lin , Yifu Guo , Yuzhen Han , Sen Hu , Ziyi Ni , Licheng Wang , Mingguang Chen , Hongzhang Liu , Ronghao Chen , Yangfan He , Daxin Jiang , Binxing Jiao , Chen Hu , Huacan Wang

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Large language models (LLMs) have notably accelerated progress towards artificial general intelligence (AGI), with their impressive zero-shot capacity for user-tailored tasks, endowing them with immense potential across a range of…

Computer Vision and Pattern Recognition · Computer Science 2023-05-26 Wenhai Wang , Zhe Chen , Xiaokang Chen , Jiannan Wu , Xizhou Zhu , Gang Zeng , Ping Luo , Tong Lu , Jie Zhou , Yu Qiao , Jifeng Dai

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks. Advances in prompt engineering and fine-tuning techniques have further enhanced their ability to address complex reasoning challenges.…

Computation and Language · Computer Science 2024-12-16 Jing Bi , Yuting Wu , Weiwei Xing , Zhenjie Wei

In recent years, large language models (LLMs) have made remarkable progress, with model optimization primarily relying on gradient-based optimizers such as Adam. However, these gradient-based methods impose stringent hardware requirements,…

Artificial Intelligence · Computer Science 2025-10-24 WenTao Liu , Siyu Song , Hao Hao , Aimin Zhou

Large Language Models (LLMs) have demonstrated remarkable capabilities on various tasks, while the further evolvement is limited to the lack of high-quality training data. In addition, traditional training approaches rely too much on…

Computation and Language · Computer Science 2025-02-14 Peidong Wang , Ming Wang , Zhiming Ma , Xiaocui Yang , Shi Feng , Daling Wang , Yifei Zhang , Kaisong Song

Large Vision-Language Models (VLMs) rely on effective multimodal alignment between pre-trained vision encoders and Large Language Models (LLMs) to integrate visual and textual information. This paper presents a comprehensive analysis of…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Shweta Mahajan , Hoang Le , Hyojin Park , Farzad Farhadzadeh , Munawar Hayat , Fatih Porikli

Software languages evolve over time for reasons such as feature additions. When grammars evolve, textual instances that originally conformed to them may become outdated. While model-driven engineering provides many techniques for…

Software Engineering · Computer Science 2026-02-13 Weixing Zhang , Bowen Jiang , Yuhong Fu , Anne Koziolek , Regina Hebig , Daniel Strüber

The rapid expansion of Large Language Models (LLMs) has posed significant challenges regarding the computational resources required for fine-tuning and deployment. Recent advancements in low-rank adapters have demonstrated their efficacy in…

Machine Learning · Computer Science 2025-01-29 J. Pablo Muñoz , Jinjie Yuan , Nilesh Jain

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting…

Artificial Intelligence · Computer Science 2026-02-10 Baoyun Zhao , He Wang , Liang Zeng

The abilities of modern large language models (LLMs) in solving natural language processing, complex reasoning, sentiment analysis and other tasks have been extraordinary which has prompted their extensive adoption. Unfortunately, these…

Artificial Intelligence · Computer Science 2024-05-29 Anthony Sarah , Sharath Nittur Sridhar , Maciej Szankin , Sairam Sundaresan

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

When using supervised fine-tuning (SFT) to adapt large language models (LLMs) to specific domains, a significant challenge arises: should we use the entire SFT dataset for fine-tuning? Common practice often involves fine-tuning directly on…

Computation and Language · Computer Science 2025-05-26 Xiang Liu , Zhaoxiang Liu , Peng Wang , Kohou Wang , Huan Hu , Kai Wang , Shiguo Lian

The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature…

Machine Learning · Computer Science 2026-01-12 Xinhao Zhang , Jinghan Zhang , Banafsheh Rekabdar , Yuanchun Zhou , Pengfei Wang , Kunpeng Liu

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

Motivated by the potential of large language models (LLMs) as optimizers for solving combinatorial optimization problems, this paper proposes a novel LLM-assisted optimizer (LLMO) to address adversarial robustness neural architecture search…

Neural and Evolutionary Computing · Computer Science 2024-06-11 Rui Zhong , Yang Cao , Jun Yu , Masaharu Munetomo

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

The emergence of Multimodal Large Language Models (MLLMs) has revolutionized image understanding by bridging textual and visual modalities. However, these models often struggle with capturing fine-grained semantic information, such as the…

Computer Vision and Pattern Recognition · Computer Science 2025-07-16 Jie Yang , Wang Zeng , Sheng Jin , Lumin Xu , Wentao Liu , Chen Qian , Zhen Li , Ruimao Zhang

Neural Architecture Search (NAS) methods have been successfully applied to image tasks with excellent results. However, NAS methods are often complex and tend to converge to local minima as soon as generated architectures seem to yield good…

Machine Learning · Computer Science 2021-10-29 Vasco Lopes , Miguel Santos , Bruno Degardin , Luís A. Alexandre

Large Language Models (LLMs) generate responses to questions; however, their effectiveness is often hindered by sub-optimal quality of answers and occasional failures to provide accurate responses to questions. To address these challenges,…

Computation and Language · Computer Science 2024-02-06 Liang Zhang , Katherine Jijo , Spurthi Setty , Eden Chung , Fatima Javid , Natan Vidra , Tommy Clifford