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The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Information Retrieval · Computer Science 2025-07-01 Kexin Chen , Yuyang Du , Junyou Li , Hanqun Cao , Menghao Guo , Xilin Dang , Lanqing Li , Jiezhong Qiu , Pheng Ann Heng , Guangyong Chen

The proliferation of complex structured data in hybrid sources, such as PDF documents and web pages, presents unique challenges for current Large Language Models (LLMs) and Multi-modal Large Language Models (MLLMs) in providing accurate…

Information Retrieval · Computer Science 2025-08-22 Shivani Upadhyay , Messiah Ataey , Syed Shariyar Murtaza , Yifan Nie , Jimmy Lin

Automated resume information extraction is critical for scaling talent acquisition, yet its real-world deployment faces three major challenges: the extreme heterogeneity of resume layouts and content, the high cost and latency of large…

Computation and Language · Computer Science 2025-10-14 Fanwei Zhu , Jinke Yu , Zulong Chen , Ying Zhou , Junhao Ji , Zhibo Yang , Yuxue Zhang , Haoyuan Hu , Zhenghao Liu

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

Relation extraction is a crucial task in natural language processing, with broad applications in knowledge graph construction and literary analysis. However, the complex context and implicit expressions in novel texts pose significant…

Computation and Language · Computer Science 2025-07-08 Yuchen Yan , Hanjie Zhao , Senbin Zhu , Hongde Liu , Zhihong Zhang , Yuxiang Jia

Enterprise data pipelines, characterized by complex transformations across multiple programming languages, often cause a semantic disconnect between original metadata and downstream data. This "semantic drift" compromises data…

Computation and Language · Computer Science 2025-08-12 Jiaqi Yin , Yi-Wei Chen , Meng-Lung Lee , Xiya Liu

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

Keyphrase extraction is a fundamental task in natural language processing. However, existing unsupervised prompt-based methods for Large Language Models (LLMs) often rely on single-stage inference pipelines with uniform prompting,…

Computation and Language · Computer Science 2025-09-25 Liting Zhang , Shiwan Zhao , Aobo Kong , Qicheng Li

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

Recent advancements in large language models (LLMs) have shown promise in feature engineering for tabular data, but concerns about their reliability persist, especially due to variability in generated outputs. We introduce a multi-level…

Machine Learning · Computer Science 2025-10-01 Yebin Lim , Susik Yoon

Extracting structured information from academic PDF documents is non trivial: a single page typically combines free text metadata with tabular regions, exhibits cross program variation, and is susceptible to Unicode encoding artifacts that…

Computation and Language · Computer Science 2026-05-25 Muhammad Anis Al Hilmi , Neelansh Khare , Noel Framil Iglesias , Kurnia Adi Cahyanto , Azhar Al Afghani , Musfi Yuliadi

The volume of academic literature, such as academic conference papers and journals, has increased rapidly worldwide, and research on metadata extraction is ongoing. However, high-performing metadata extraction is still challenging due to…

Machine Learning · Computer Science 2021-12-24 Jongyun Choi , Hyesoo Kong , Hwamook Yoon , Heung-Seon Oh , Yuchul Jung

Industrial part specification extraction from unstructured text remains a persistent challenge in manufacturing, procurement, and maintenance, where manual processing is both time-consuming and error-prone. This paper introduces a…

Information Retrieval · Computer Science 2026-01-12 Muzakkiruddin Ahmed Mohammed , John R. Talburt , Leon Claasssens , Adriaan Marais

Medical reports contain rich clinical information but are often unstructured and written in domain-specific language, posing challenges for information extraction. While proprietary large language models (LLMs) have shown promise in…

Computation and Language · Computer Science 2026-03-12 Luc Builtjes , Joeran Bosma , Mathias Prokop , Bram van Ginneken , Alessa Hering

Low-temperature alloys are important for a wide spectrum of modern technologies ranging from liquid hydrogen, and superconductivity to quantum technology. These applications push the limit of material performance into extreme coldness,…

Materials Science · Physics 2025-03-19 Haoxuan Tang , Zhiyuan Chen , Xin Yao , Zhiping Xu

Large Language Models (LLMs) offer new potential for automating documentation-to-code traceability, yet their capabilities remain underexplored. We present a comprehensive evaluation of LLMs (Claude 3.5 Sonnet, GPT-4o, and o3-mini) in…

Software Engineering · Computer Science 2025-08-08 Ebube Alor , SayedHassan Khatoonabadi , Emad Shihab

Objective: Develop a cost-effective, large language model (LLM)-based pipeline for automatically extracting Review of Systems (ROS) entities from clinical notes. Materials and Methods: The pipeline extracts ROS section from the clinical…

Computation and Language · Computer Science 2026-05-15 Hieu Nghiem , Zhuqi Miao , Hemanth Reddy Singareddy , Jivan Lamichhane , Abdulaziz Ahmed , Johnson Thomas , Dursun Delen , William Paiva

The drug development process necessitates that pharmacologists undertake various tasks, such as reviewing literature, formulating hypotheses, designing experiments, and interpreting results. Each stage requires accessing and querying vast…

Computation and Language · Computer Science 2023-08-01 Hong Lu , Chuan Li , Yinheng Li , Jie Zhao

High-entropy materials (HEMs) have recently emerged as a significant category of materials, offering highly tunable properties. However, the scarcity of HEM data in existing density functional theory (DFT) databases, primarily due to…

Materials Science · Physics 2024-06-04 Kangming Li , Kamal Choudhary , Brian DeCost , Michael Greenwood , Jason Hattrick-Simpers

In this article, we evaluate four Large Language Models (LLMs) and their effectiveness at retrieving data within a specialized Retrieval-Augmented Generation (RAG) system, using a comprehensive food composition database. Our method is…

Computation and Language · Computer Science 2026-03-12 Maks Požarnik Vavken , Matevž Ogrinc , Tome Eftimov , Barbara Koroušić Seljak