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This Monte Carlo simulation examines how prompt engineering strategies shape the quality of large language model (LLM)--generated personality assessment items within the AI-GENIE framework for generative psychometrics. Item pools targeting…

Artificial Intelligence · Computer Science 2026-03-18 Lara Lee Russell-Lasalandra , Hudson Golino

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

This study presents the first examination of the ability of Large Language Models (LLMs) to follow reasoning strategies that are used to guide Automated Theorem Provers (ATPs). We evaluate the performance of GPT4, GPT3.5 Turbo and Google's…

Computation and Language · Computer Science 2024-07-31 Lachlan McGinness , Peter Baumgartner

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

Large Language Models (LLMs) have demonstrated exceptional performance across a wide range of tasks. To further tailor LLMs to specific domains or applications, post-training techniques such as Supervised Fine-Tuning (SFT), Preference…

Computation and Language · Computer Science 2025-05-29 Taro Yano , Yoichi Ishibashi , Masafumi Oyamada

Corpus distillation for biomedical large language models (LLMs) seeks to address the pressing challenge of insufficient quantity and quality in open-source annotated scientific corpora, which remains a bottleneck for effective LLM training…

Computation and Language · Computer Science 2025-12-19 Meng Xiao , Xunxin Cai , Qingqing Long , Chengrui Wang , Yuanchun Zhou , Hengshu Zhu

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

While reaching for NLP systems that maximize accuracy, other important metrics of system performance are often overlooked. Prior models are easily forgotten despite their possible suitability in settings where large computing resources are…

Computation and Language · Computer Science 2024-04-19 Mahammed Kamruzzaman , Gene Louis Kim

Materials language processing (MLP) is one of the key facilitators of materials science research, as it enables the extraction of structured information from massive materials science literature. Prior works suggested high-performance MLP…

Computation and Language · Computer Science 2023-08-21 Jaewoong Choi , Byungju Lee

Can large language models (LLMs) generate continuous numerical features that improve reinforcement learning (RL) trading agents? We build a modular pipeline where a frozen LLM serves as a stateless feature extractor, transforming…

Computation and Language · Computer Science 2026-04-14 Zhengzhe Yang

Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials…

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Internet of Things (IoT) networks generate diverse and high-volume traffic that reflects both normal activity and potential threats. Deriving meaningful insight from such telemetry requires cross-layer interpretation of behaviors,…

Computation and Language · Computer Science 2025-10-17 Daniel Adu Worae , Spyridon Mastorakis

Systematic reviews and meta-analyses rely on converting narrative articles into structured, numerically grounded study records. Despite rapid advances in large language models (LLMs), it remains unclear whether they can meet the structural…

Computation and Language · Computer Science 2026-02-12 Zhiyin Tan , Jennifer D'Souza

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

This paper presents DataSciBench, a comprehensive benchmark for evaluating Large Language Model (LLM) capabilities in data science. Recent related benchmarks have primarily focused on single tasks, easily obtainable ground truth, and…

Computation and Language · Computer Science 2025-02-20 Dan Zhang , Sining Zhoubian , Min Cai , Fengzu Li , Lekang Yang , Wei Wang , Tianjiao Dong , Ziniu Hu , Jie Tang , Yisong Yue

Materials science workflows rely on structured and unstructured data from the vast body of available scientific literature. However, most of the experimental details remain buried in text, tables, graphs and figures. Thus, constructing…

Computation and Language · Computer Science 2026-05-07 Achuth Chandrasekhar , Omid Barati Farimani , Radheesh Sharma Meda , Amir Barati Farimani

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this task remains challenging due to the inherent ambiguity of…

Artificial Intelligence · Computer Science 2025-07-02 Yu Zhang , Ruijie Yu , Jidong Tian , Feng Zhu , Jiapeng Liu , Xiaokang Yang , Yaohui Jin , Yanyan Xu