English
Related papers

Related papers: Generative Design of Functional Metal Complexes Ut…

200 papers

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Large language models (LLMs) demonstrate extraordinary abilities in a wide range of natural language processing (NLP) tasks. In this paper, we show that, beyond text understanding capability, LLMs are capable of processing text layouts that…

Computation and Language · Computer Science 2024-08-29 Weiming Li , Manni Duan , Dong An , Yan Shao

Large Language Models (LLMs) are rapidly reshaping machine translation (MT), particularly by introducing instruction-following, in-context learning, and preference-based alignment into what has traditionally been a supervised…

Computation and Language · Computer Science 2026-04-29 Baban Gain , Dibyanayan Bandyopadhyay , Asif Ekbal , Trilok Nath Singh

Large language models (LLMs) have shown remarkable promise but remain challenging to continually improve through traditional finetuning, particularly when integrating capabilities from other specialized LLMs. Popular methods like ensemble…

Computation and Language · Computer Science 2025-06-02 Zhenglun Kong , Zheng Zhan , Shiyue Hou , Yifan Gong , Xin Meng , Pengwei Sui , Peiyan Dong , Xuan Shen , Zifeng Wang , Pu Zhao , Hao Tang , Stratis Ioannidis , Yanzhi Wang

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…

Machine Learning · Computer Science 2025-10-27 Jiyu Cui , Fang Wu , Haokai Zhao , Minggao Feng , Xenophon Evangelopoulos , Andrew I. Cooper , Yejin Choi

We introduce RoboMorph, an automated approach for generating and optimizing modular robot designs using large language models (LLMs) and evolutionary algorithms. Each robot design is represented by a structured grammar, and we use LLMs to…

Machine Learning · Computer Science 2026-03-24 Kevin Qiu , Władysław Pałucki , Krzysztof Ciebiera , Paweł Fijałkowski , Marek Cygan , Łukasz Kuciński

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

Deep learning (DL) has made notable progress in addressing complex radio access network control challenges that conventional analytic methods have struggled to solve. However, DL has shown limitations in solving constrained NP-hard problems…

Systems and Control · Electrical Eng. & Systems 2025-02-05 Hyeonho Noh , Byonghyo Shim , Hyun Jong Yang

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment.…

Computation and Language · Computer Science 2023-10-03 Tianci Xue , Ziqi Wang , Heng Ji

Recent work has demonstrated the promise of orchestrating large language models (LLMs) within evolutionary and agentic optimization systems. However, the mechanisms driving these optimization gains remain poorly understood. In this work, we…

Computation and Language · Computer Science 2026-04-22 Xinhao Zhang , Xi Chen , François Portet , Maxime Peyrard

The rapid advancements in large language models (LLMs) have ignited interest in the temporal knowledge graph (tKG) domain, where conventional embedding-based and rule-based methods dominate. The question remains open of whether pre-trained…

Computation and Language · Computer Science 2024-04-18 Ruotong Liao , Xu Jia , Yangzhe Li , Yunpu Ma , Volker Tresp

The development of state-of-the-art generative large language models (LLMs) disproportionately relies on English-centric tokenizers, vocabulary and pre-training data. Despite the fact that some LLMs have multilingual capabilities, recent…

Computation and Language · Computer Science 2024-09-27 Atsuki Yamaguchi , Aline Villavicencio , Nikolaos Aletras

Predicting cancer treatment outcomes requires models that are both accurate and interpretable, particularly in the presence of heterogeneous clinical data. While large language models (LLMs) have shown strong performance in biomedical NLP,…

Computation and Language · Computer Science 2025-10-21 Raghu Vamshi Hemadri , Geetha Krishna Guruju , Kristi Topollai , Anna Ewa Choromanska

This paper presents an in-depth survey on the use of multimodal Generative Artificial Intelligence (GenAI) and autoregressive Large Language Models (LLMs) for human motion understanding and generation, offering insights into emerging…

Computer Vision and Pattern Recognition · Computer Science 2025-06-05 Muhammad Islam , Tao Huang , Euijoon Ahn , Usman Naseem

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

Large Language Models (LLMs) are a class of generative AI models built using the Transformer network, capable of leveraging vast datasets to identify, summarize, translate, predict, and generate language. LLMs promise to revolutionize…

Information Retrieval · Computer Science 2024-03-05 Chunhe Ni , Jiang Wu , Hongbo Wang , Wenran Lu , Chenwei Zhang

For data-constrained, complex and dynamic industrial environments, there is a critical need for transferable and multimodal methodologies to enhance anomaly detection and therefore, prevent costs associated with system failures. Typically,…

Large Language Models (LLMs) have demonstrated great potential in automating the generation of Verilog hardware description language code for hardware design. This automation is critical to reducing human effort in the complex and…

Hardware Architecture · Computer Science 2025-08-20 Ping Guo , Yiting Wang , Wanghao Ye , Yexiao He , Ziyao Wang , Xiaopeng Dai , Ang Li , Qingfu Zhang