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Large Language Model (LLM)-based systems present new opportunities for autonomous health monitoring in sensor-rich industrial environments. This study explores the potential of LLMs to detect and classify faults directly from sensor data,…

Artificial Intelligence · Computer Science 2025-09-30 Xian Yeow Lee , Lasitha Vidyaratne , Ahmed Farahat , Chetan Gupta

The acceleration of Large Language Models (LLMs) with speculative decoding provides a significant runtime improvement without any loss of accuracy. Currently, EAGLE-2 is the state-of-the-art speculative decoding method, improving on EAGLE…

Computation and Language · Computer Science 2024-09-04 Oscar Brown , Zhengjie Wang , Andrea Do , Nikhil Mathew , Cheng Yu

While large language models (LLMs) excel at static scientific reasoning, they struggle to model the temporal structure of dynamic physical processes. We present EvoMD-LLM (Evolutionary Molecular Dynamics Large Language Model), a framework…

Artificial Intelligence · Computer Science 2026-05-29 Zhichen Tang , Zhengzheng Dang , Yulin Chen , Jixin Wu , Haiwen Li , Yanming Wang

Large language models ($\textbf{LLMs}$) have emerged as a powerful method for discovery. Instead of utilizing numerical data, LLMs utilize associated variable $\textit{semantic metadata}$ to predict variable relationships. Simultaneously,…

Machine Learning · Computer Science 2025-04-15 Alex Havrilla , David Alvarez-Melis , Nicolo Fusi

In visual analytics, applying filters to drill-down and extract higher-value insights is a common and important data analysis method. When the drill-down space becomes excessively large, analysts may lose orientation, leading to decreased…

Human-Computer Interaction · Computer Science 2026-04-21 Zhijun Zheng , Tian Qiu , Yuheng Zhao , Siming Chen

In autonomous exploration tasks, robots are required to explore and map unknown environments while efficiently planning in dynamic and uncertain conditions. Given the significant variability of environments, human operators often have…

Robotics · Computer Science 2025-03-11 Shuhao Liao , Xuxin Lv , Yuhong Cao , Jeric Lew , Wenjun Wu , Guillaume Sartoretti

Human preference alignment can greatly enhance Multimodal Large Language Models (MLLMs), but collecting high-quality preference data is costly. A promising solution is the self-evolution strategy, where models are iteratively trained on…

Machine Learning · Computer Science 2024-12-23 Wentao Tan , Qiong Cao , Yibing Zhan , Chao Xue , Changxing Ding

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

Large language models (LLMs) have shown promising abilities of in-context learning (ICL), adapting swiftly to new tasks with only few-shot demonstrations. However, current few-shot methods heavily depend on high-quality, query-specific…

Computation and Language · Computer Science 2024-04-02 Wei He , Shichun Liu , Jun Zhao , Yiwen Ding , Yi Lu , Zhiheng Xi , Tao Gui , Qi Zhang , Xuanjing Huang

Feature transformation aims to reconstruct the feature space of raw features to enhance the performance of downstream models. However, the exponential growth in the combinations of features and operations poses a challenge, making it…

Machine Learning · Computer Science 2024-12-19 Nanxu Gong , Chandan K. Reddy , Wangyang Ying , Haifeng Chen , Yanjie Fu

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

Large Language Models (LLMs) offer a promising avenue for scientific discovery, yet their application to symbolic regression is often constrained by inefficient search strategies and coarse feedback signals. Current methods typically guide…

Machine Learning · Computer Science 2026-05-29 Evgeny S. Saveliev , Samuel Holt , Nabeel Seedat , David L. Bentley , Jim Weatherall , Mihaela van der Schaar

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…

As a primary means of information acquisition, information retrieval (IR) systems, such as search engines, have integrated themselves into our daily lives. These systems also serve as components of dialogue, question-answering, and…

Computation and Language · Computer Science 2025-09-18 Yutao Zhu , Huaying Yuan , Shuting Wang , Jiongnan Liu , Wenhan Liu , Chenlong Deng , Haonan Chen , Zheng Liu , Zhicheng Dou , Ji-Rong Wen

CO2 reduction requires efficient catalysts, yet materials discovery remains bottlenecked by 10-20 year development cycles requiring deep domain expertise. This paper demonstrates how large language models can assist the catalyst discovery…

Materials Science · Physics 2026-03-18 AI Scientists , Xinyi Lin , Danqing Yin , Ying Guo

Observation-based trajectory prediction for systems with unknown dynamics is essential in fields such as physics and biology. Most existing approaches are limited to learning within a single system with fixed dynamics patterns. However,…

Machine Learning · Computer Science 2025-02-26 Xikun Zhang , Dongjin Song , Yushan Jiang , Yixin Chen , Dacheng Tao

Pre-trained large language models (LLMs) exhibit powerful capabilities for generating natural text. Evolutionary algorithms (EAs) can discover diverse solutions to complex real-world problems. Motivated by the common collective and…

Neural and Evolutionary Computing · Computer Science 2025-03-10 Chao Wang , Jiaxuan Zhao , Licheng Jiao , Lingling Li , Fang Liu , Shuyuan Yang

Large Language Models (LLMs) exhibit remarkable proficiency in addressing a diverse array of tasks within the Natural Language Processing (NLP) domain, with various prompt design strategies significantly augmenting their capabilities.…

Computation and Language · Computer Science 2024-08-05 Xiangyu Zhao , Chengqian Ma

The trade-off between expressiveness and interpretability remains a core challenge when building human-centric predictive models for classification and decision-making. While symbolic rules offer interpretability, they often lack…

Artificial Intelligence · Computer Science 2024-06-26 Ruochen Wang , Si Si , Felix Yu , Dorothea Wiesmann , Cho-Jui Hsieh , Inderjit Dhillon

In this work, we explore explicit Large Language Model (LLM)-powered support for the iterative design of computer programs. Program design, like other design activity, is characterized by navigating a space of alternative problem…

Human-Computer Interaction · Computer Science 2025-03-11 J. D. Zamfirescu-Pereira , Eunice Jun , Michael Terry , Qian Yang , Björn Hartmann