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Related papers: AlloyBERT: Alloy Property Prediction with Large La…

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This study introduces a language transformer-based machine learning model to predict key mechanical properties of high-entropy alloys (HEAs), addressing the challenges due to their complex, multi-principal element compositions and limited…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Spyros Kamnis , Konstantinos Delibasis

We present a framework for generating universal semantic embeddings of chemical elements to advance materials inference and discovery. This framework leverages ElementBERT, a domain-specific BERT-based natural language processing model…

Computation and Language · Computer Science 2026-04-30 Yunze Jia , Yuehui Xian , Yangyang Xu , Pengfei Dang , Xiangdong Ding , Jun Sun , Yumei Zhou , Dezhen Xue

Processing treatments of alloys, despite being influential to alloy properties, are often neglected in machine-learning aided alloy designs due to the difficulties in expressing this information. We investigated the expressiveness of…

Materials Science · Physics 2026-04-24 Li-Cheng Hsiao , Zi-Kui Liu , Wesley Reinhart

Gender bias in language models has gained increasing attention in the field of natural language processing. Encoder-based transformer models, which have achieved state-of-the-art performance in various language tasks, have been shown to…

Encoder-only languages models are frequently used for a variety of standard machine learning tasks, including classification and retrieval. However, there has been a lack of recent research for encoder models, especially with respect to…

Computation and Language · Computer Science 2025-09-09 Marc Marone , Orion Weller , William Fleshman , Eugene Yang , Dawn Lawrie , Benjamin Van Durme

The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

Machine learning has revolutionized many fields, including materials science. However, predicting properties of crystalline materials using machine learning faces challenges in input encoding, output versatility, and interpretability. We…

Materials Science · Physics 2025-05-22 Haosheng Xu , Dongheng Qian , Jing Wang

With the emergence of Transformer architectures and their powerful understanding of textual data, a new horizon has opened up to predict the molecular properties based on text description. While SMILES are the most common form of…

Chemical Physics · Physics 2023-10-11 Suryanarayanan Balaji , Rishikesh Magar , Yayati Jadhav , Amir Barati Farimani

We investigate transformer-based language models, including RoBERTa, T5, Llama-3, and MatSciBERT, for predicting the band gaps of semiconductor materials directly from textual descriptions. The inputs encode key material features, such as…

Computation and Language · Computer Science 2025-10-24 Ying-Ting Yeh , Janghoon Ock , Achuth Chandrasekhar , Shagun Maheshwari , Amir Barati Farimani

Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By…

Computation and Language · Computer Science 2024-11-05 Yuwei Wan , Tong Xie , Nan Wu , Wenjie Zhang , Chunyu Kit , Bram Hoex

Machine learning has revolutionized materials design, yet predicting complex properties like alloy ductility remains challenging due to the influence of processing conditions and microstructural features that resist quantification through…

Materials Science · Physics 2025-06-17 Yongqian Peng , Zhouran Zhang , Longhui Zhang , Fengyuan Zhao , Yahao Li , Yicong Ye , Shuxin Bai

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will…

Biomolecules · Quantitative Biology 2023-09-07 Chakradhar Guntuboina , Adrita Das , Parisa Mollaei , Seongwon Kim , Amir Barati Farimani

Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions,…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , Beilin Ye , Zhuoyuan Li , David J. Srolovitz

To answer this question, we fine-tune transformer-based language models, including BERT, on different sources of company-related text data for a classification task to predict the one-year stock price performance. We use three different…

Computation and Language · Computer Science 2022-02-07 Stefan Pasch , Daniel Ehnes

With the rapid development of artificial intelligence, conversational bots have became prevalent in mainstream E-commerce platforms, which can provide convenient customer service timely. To satisfy the user, the conversational bots need to…

Computation and Language · Computer Science 2021-09-23 Zhenyu Zhang , Tao Guo , Meng Chen

Refractory high-entropy alloys (RHEAs) are a promising class of alloys that show elevated-temperature yield strengths and have potential to use as high-performance materials in gas turbine engines. However, exploring the vast RHEA…

Materials Science · Physics 2021-12-07 Stephen A. Giles , Debasis Sengupta , Scott R. Broderick , Krishna Rajan

Polymers are a vital part of everyday life. Their chemical universe is so large that it presents unprecedented opportunities as well as significant challenges to identify suitable application-specific candidates. We present a complete…

Materials Science · Physics 2023-07-20 Christopher Kuenneth , Rampi Ramprasad

We introduce the elEmBERT model for chemical classification tasks. It is based on deep learning techniques, such as a multilayer encoder architecture. We demonstrate the opportunities offered by our approach on sets of organic, inorganic…

Chemical Physics · Physics 2024-08-20 Shokirbek Shermukhamedov , Dilorom Mamurjonova , Michael Probst

Although BERT-style encoder models are heavily used in NLP research, many researchers do not pretrain their own BERTs from scratch due to the high cost of training. In the past half-decade since BERT first rose to prominence, many advances…

Computation and Language · Computer Science 2024-01-17 Jacob Portes , Alex Trott , Sam Havens , Daniel King , Abhinav Venigalla , Moin Nadeem , Nikhil Sardana , Daya Khudia , Jonathan Frankle

Most pre-trained language models (PLMs) construct word representations at subword level with Byte-Pair Encoding (BPE) or its variations, by which OOV (out-of-vocab) words are almost avoidable. However, those methods split a word into…

Computation and Language · Computer Science 2021-05-17 Wentao Ma , Yiming Cui , Chenglei Si , Ting Liu , Shijin Wang , Guoping Hu
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