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The increasing size and complexity of pre-trained language models have demonstrated superior performance in many applications, but they usually require large training datasets to be adequately trained. Insufficient training sets could…

Computation and Language · Computer Science 2025-02-03 Yaping Chai , Haoran Xie , Joe S. Qin

Speech large language models (LLMs) have driven significant progress in end-to-end speech understanding and recognition, yet they continue to struggle with accurately recognizing rare words and domain-specific terminology. This paper…

Audio and Speech Processing · Electrical Eng. & Systems 2026-01-21 Bo Ren , Ruchao Fan , Yelong Shen , Weizhu Chen , Jinyu Li

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Recent studies have proposed leveraging Large Language Models (LLMs) as information retrievers through query rewriting. However, for challenging corpora, we argue that enhancing queries alone is insufficient for robust semantic matching;…

Information Retrieval · Computer Science 2025-06-24 Jingming Liu , Yumeng Li , Wei Shi , Yao-Xiang Ding , Hui Su , Kun Zhou

Recent studies have explored integrating Large Language Models (LLMs) with search engines to leverage both the LLMs' internal pre-trained knowledge and external information. Specially, reinforcement learning (RL) has emerged as a promising…

Artificial Intelligence · Computer Science 2025-12-30 Lang Mei , Zhihan Yang , Xiaohan Yu , Huanyao Zhang , Chong Chen

Context: In the fast-paced evolution of software development, Large Language Models (LLMs) have become indispensable tools for tasks such as code generation, completion, analysis, and bug fixing. Ensuring the robustness of these models…

Software Engineering · Computer Science 2026-02-13 Yang Liu , Armstrong Foundjem , Xingfang Wu , Heng Li , Foutse Khomh

Scientific reasoning rarely stops at what is directly observable; it often requires uncovering hidden structure from data. From estimating reaction constants in chemistry to inferring demand elasticities in economics, this latent structure…

Artificial Intelligence · Computer Science 2026-05-01 Chaemin Jang , Woojin Park , Hyeok Yun , Dongman Lee , Jihee Kim

The rapid advancement of Large Language Models (LLMs) has improved text understanding and generation but poses challenges in computational resources. This study proposes a curriculum learning-inspired, data-centric training strategy that…

Computation and Language · Computer Science 2024-05-14 Jisu Kim , Juhwan Lee

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

In real-world NLP applications, Large Language Models (LLMs) offer promising solutions due to their extensive training on vast datasets. However, the large size and high computation demands of LLMs limit their practicality in many…

Artificial Intelligence · Computer Science 2025-04-01 Juanhui Li , Sreyashi Nag , Hui Liu , Xianfeng Tang , Sheikh Sarwar , Limeng Cui , Hansu Gu , Suhang Wang , Qi He , Jiliang Tang

A burgeoning area within reinforcement learning (RL) is the design of sequential decision-making agents centered around large language models (LLMs). While autonomous decision-making agents powered by modern LLMs could facilitate numerous…

Machine Learning · Computer Science 2026-02-10 Dilip Arumugam , Thomas L. Griffiths

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Zihan Zhao , Ziping Wan , Lu Chen , Xuanze Lin , Shiyang Yu , Situo Zhang , Da Ma , Zichen Zhu , Danyang Zhang , Huayang Wang , Zhongyang Dai , Liyang Wen , Bo Chen , Xin Chen , Kai Yu

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

Large language models (LLMs) trained via pretraining and supervised fine-tuning (SFT) can still produce harmful and misaligned outputs, or struggle in domains like math and coding. Reinforcement learning (RL)-based post-training methods,…

Computation and Language · Computer Science 2026-05-19 Zhichao Wang , Kiran Ramnath , Bin Bi , Shiva Kumar Pentyala , Sougata Chaudhuri , Shubham Mehrotra , Zixu , Zhu , Xiang-Bo Mao , Sitaram Asur , Na , Cheng

The large set of technical documentation of legacy accelerator systems, coupled with the retirement of experienced personnel, underscores the urgent need for efficient methods to preserve and transfer specialized knowledge. This paper…

Information Retrieval · Computer Science 2025-09-03 Qing Dai , Rasmus Ischebeck , Maruisz Sapinski , Adam Grycner

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

Competency modeling is widely used in human resource management to select, develop, and evaluate talent. However, traditional expert-driven approaches rely heavily on manual analysis of large volumes of interview transcripts, making them…

Computation and Language · Computer Science 2026-02-16 Silin Du , Manqing Xin , Raymond Jia Wang

Reinforcement learning (RL) is one of the active fields in machine learning, demonstrating remarkable potential in tackling real-world challenges. Despite its promising prospects, this methodology has encountered with issues and challenges,…

Machine Learning · Computer Science 2024-11-21 Alireza Rashidi Laleh , Majid Nili Ahmadabadi