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Thermoelectric materials provide a sustainable way to convert waste heat into electricity. However, data-driven discovery and optimization of these materials are challenging because of a lack of a reliable database. Here we developed a…

Materials Science · Physics 2025-01-03 Suman Itani , Yibo Zhang , Jiadong Zang

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…

Materials Science · Physics 2025-04-14 Yuxuan Zeng , Wenhao Xie , Wei Cao , Tan Peng , Yue Hou , Ziyu Wang , Jing Shi

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

Large language models (LLMs) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate…

Machine Learning · Computer Science 2024-07-04 Ning Liu , Siavash Jafarzadeh , Brian Y. Lattimer , Shuna Ni , Jim Lua , Yue Yu

Large language models (LLMs) have achieved remarkable performance on diverse benchmarks, yet existing evaluation practices largely rely on coarse summary metrics that obscure underlying reasoning abilities. In this work, we propose novel…

Methodology · Statistics 2026-03-17 Jia Liu , Zhiyu Xu , Yuqi Gu

Determining the ideal architecture for deep learning models, such as the number of layers and neurons, is a difficult and resource-intensive process that frequently relies on human tuning or computationally costly optimization approaches.…

Artificial Intelligence · Computer Science 2025-04-22 Saad Hameed , Basheer Qolomany , Samir Brahim Belhaouari , Mohamed Abdallah , Junaid Qadir , Ala Al-Fuqaha

Qualitative analysis of textual contents unpacks rich and valuable information by assigning labels to the data. However, this process is often labor-intensive, particularly when working with large datasets. While recent AI-based tools…

Computation and Language · Computer Science 2023-04-24 Ziang Xiao , Xingdi Yuan , Q. Vera Liao , Rania Abdelghani , Pierre-Yves Oudeyer

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 explores the potential of leveraging Large Language Models (LLMs) for data augmentation in multilingual commonsense reasoning datasets where the available training data is extremely limited. To achieve this, we utilise several…

Computation and Language · Computer Science 2023-10-24 Chenxi Whitehouse , Monojit Choudhury , Alham Fikri Aji

Multimodal Large Language Models (MLLMs) have achieved significant success in Speech-to-Text Translation (S2TT) tasks. While most existing research has focused on English-centric translation directions, the exploration of many-to-many…

Computation and Language · Computer Science 2025-06-17 Yexing Du , Youcheng Pan , Ziyang Ma , Bo Yang , Yifan Yang , Keqi Deng , Xie Chen , Yang Xiang , Ming Liu , Bing Qin

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

Large Language Models (LLMs) have the potential to revolutionize data analytics by simplifying tasks such as data discovery and SQL query synthesis through natural language interactions. This work serves as a pivotal first step toward the…

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first…

Machine Learning · Computer Science 2026-03-10 Subham Ghosh , Abhishek Tewari

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Optics · Physics 2025-04-01 Darui Lu , Yang Deng , Jordan M. Malof , Willie J. Padilla

Predicting the mechanical properties of polysulfone (PSF) membranes from structural descriptors remains challenging due to extreme data scarcity typical of experimental studies. To investigate this issue, this study benchmarked…

Artificial Intelligence · Computer Science 2026-03-17 Dingding Cao , Mieow Kee Chan , Wan Sieng Yeo , Said Bey , Alberto Figoli
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