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We report the machine learning (ML)-based approach allowing thermoelectric generator (TEG) efficiency evaluation directly from 5 parameters: 2 physical properties - carriers density and energy gap, and 3 engineering parameters - external…

Materials Science · Physics 2024-08-23 Anastasiia Tukmakova , Patrizio Graziosi

In this work, we explore the use of Large Language Models (LLMs) for knowledge engineering tasks in the context of the ISWC 2023 LM-KBC Challenge. For this task, given subject and relation pairs sourced from Wikidata, we utilize pre-trained…

Computation and Language · Computer Science 2023-09-18 Bohui Zhang , Ioannis Reklos , Nitisha Jain , Albert Meroño Peñuela , Elena Simperl

Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized…

Machine Learning · Computer Science 2026-01-30 Xiyuan Liu , Christian Hacker , Shengnian Wang , Yuhua Duan

The lack of training data gives rise to the system cold-start problem in recommendation systems, making them struggle to provide effective recommendations. To address this problem, Large Language Models (LLMs) can model recommendation tasks…

Information Retrieval · Computer Science 2024-12-25 Wenlin Zhang , Chuhan Wu , Xiangyang Li , Yuhao Wang , Kuicai Dong , Yichao Wang , Xinyi Dai , Xiangyu Zhao , Huifeng Guo , Ruiming Tang

Metal additive manufacturing (AM) involves complex interdependencies among processes, materials, feedstock, and post-processing steps. However, the underlying relationships and domain knowledge remain fragmented across literature and static…

Information Retrieval · Computer Science 2025-07-29 Muhammad Tayyab Khan , Lequn Chen , Wenhe Feng , Seung Ki Moon

We use a generative neural network model to create thousands of new, one-dimensional materials. The model is trained using 508 stable one-dimensional materials from the Computational 1D Materials Database (C1DB) database. More than 500 of…

The recent growth in renewable energy development in the United States has been accompanied by a simultaneous surge in renewable energy siting ordinances. These zoning laws play a critical role in dictating the placement of wind and solar…

Computation and Language · Computer Science 2024-10-18 Grant Buster , Pavlo Pinchuk , Jacob Barrons , Ryan McKeever , Aaron Levine , Anthony Lopez

In the domain of high-energy physics (HEP), query languages in general and SQL in particular have found limited acceptance. This is surprising since HEP data analysis matches the SQL model well: the data is fully structured and queried…

Databases · Computer Science 2021-11-02 Dan Graur , Ingo Müller , Mason Proffitt , Ghislain Fourny , Gordon T. Watts , Gustavo Alonso

Large language models (LLMs) have demonstrated impressive impact in the field of natural language processing, but they still struggle with several issues regarding, such as completeness, timeliness, faithfulness and adaptability. While…

Computation and Language · Computer Science 2023-08-24 Xintao Wang , Qianwen Yang , Yongting Qiu , Jiaqing Liang , Qianyu He , Zhouhong Gu , Yanghua Xiao , Wei Wang

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…

Materials Science · Physics 2021-09-08 Ruimin Ma , Hanfeng Zhang , Jiaxin Xu , Yoshihiro Hayashi , Ryo Yoshida , Junichiro Shiomi , Tengfei Luo

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to…

Machine Learning · Computer Science 2024-11-01 Anuroop Sriram , Benjamin Kurt Miller , Ricky T. Q. Chen , Brandon M. Wood

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support…

A wealth of operational intelligence is locked within the unstructured free-text of wind turbine maintenance logs, a resource largely inaccessible to traditional quantitative reliability analysis. While machine learning has been applied to…

Computation and Language · Computer Science 2025-09-29 Max Malyi , Jonathan Shek , Andre Biscaya

Synthetic data generation using large language models (LLMs) demonstrates substantial promise in addressing biomedical data challenges and shows increasing adoption in biomedical research. This study systematically reviews recent advances…

Computation and Language · Computer Science 2026-02-18 Hanshu Rao , Weisi Liu , Haohan Wang , I-Chan Huang , Zhe He , Xiaolei Huang

Large Language Models (LLMs) are gaining popularity for hardware design automation, particularly through Register Transfer Level (RTL) code generation. In this work, we examine the current literature on RTL generation using LLMs and…

Hardware Architecture · Computer Science 2025-07-21 Paul E. Calzada , Zahin Ibnat , Tanvir Rahman , Kamal Kandula , Danyu Lu , Sujan Kumar Saha , Farimah Farahmandi , Mark Tehranipoor

Thermoelectric (TE) technology enables direct heat-to-electricity conversion and is gaining attention as a clean, fuel-saving, and carbon-neutral solution for industrial, automotive, and marine applications. Despite nearly a century of…

Materials Science · Physics 2025-12-04 Nirma Kumari , Jaywan Chung , Seunghyun Oh , Jeongin Jang , Jongho Park , Ji Hui Son , SuDong Park , Byungki Ryu

The proliferation of wearable technology enables the generation of vast amounts of sensor data, offering significant opportunities for advancements in health monitoring, activity recognition, and personalized medicine. However, the…

Human-Computer Interaction · Computer Science 2024-08-02 Emilio Ferrara

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…

E-commerce platforms require structured product data in the form of attribute-value pairs to offer features such as faceted product search or attribute-based product comparison. However, vendors often provide unstructured product…

Computation and Language · Computer Science 2024-09-23 Alexander Brinkmann , Roee Shraga , Christian Bizer