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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

The latest work on language representations carefully integrates contextualized features into language model training, which enables a series of success especially in various machine reading comprehension and natural language inference…

Computation and Language · Computer Science 2020-02-05 Zhuosheng Zhang , Yuwei Wu , Hai Zhao , Zuchao Li , Shuailiang Zhang , Xi Zhou , Xiang Zhou

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

Models based on the transformer architecture, such as BERT, have marked a crucial step forward in the field of Natural Language Processing. Importantly, they allow the creation of word embeddings that capture important semantic information…

Computation and Language · Computer Science 2021-01-01 Jacob Turton , David Vinson , Robert Elliott Smith

The pursuit of novel alloys tailored to specific requirements poses significant challenges for researchers in the field. This underscores the importance of developing predictive techniques for essential physical properties of alloys based…

Materials Science · Physics 2024-04-01 Akshat Chaudhari , Chakradhar Guntuboina , Hongshuo Huang , Amir Barati Farimani

We propose a new technique for computational language representation called elementwise embedding, in which a material (semantic unit) is abstracted into a horizontal concatenation of lower-dimensional element (character) embeddings. While…

Computation and Language · Computer Science 2023-02-28 Dunam Kim , Jeeeun Kim

This paper presents new state-of-the-art models for three tasks, part-of-speech tagging, syntactic parsing, and semantic parsing, using the cutting-edge contextualized embedding framework known as BERT. For each task, we first replicate and…

Computation and Language · Computer Science 2020-05-26 Han He , Jinho D. Choi

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

We present iBERT (interpretable-BERT), an encoder to produce inherently interpretable and controllable embeddings - designed to modularize and expose the discriminative cues present in language, such as semantic or stylistic structure. Each…

Computation and Language · Computer Science 2026-01-27 Vishal Anand , Milad Alshomary , Kathleen McKeown

Pre-trained language models such as BERT have been proved to be powerful in many natural language processing tasks. But in some text classification applications such as emotion recognition and sentiment analysis, BERT may not lead to…

Computation and Language · Computer Science 2025-06-03 Zixiao Zhu , Kezhi Mao

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

Contextual embeddings, such as ELMo and BERT, move beyond global word representations like Word2Vec and achieve ground-breaking performance on a wide range of natural language processing tasks. Contextual embeddings assign each word a…

Computation and Language · Computer Science 2020-04-14 Qi Liu , Matt J. Kusner , Phil Blunsom

Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the vast material search space remain limited. We introduce a…

We use paraphrases as a unique source of data to analyze contextualized embeddings, with a particular focus on BERT. Because paraphrases naturally encode consistent word and phrase semantics, they provide a unique lens for investigating…

Computation and Language · Computer Science 2022-07-13 Laura Burdick , Jonathan K. Kummerfeld , Rada Mihalcea

We present a systematic investigation of layer-wise BERT activations for general-purpose text representations to understand what linguistic information they capture and how transferable they are across different tasks. Sentence-level…

Computation and Language · Computer Science 2019-10-25 Xiaofei Ma , Zhiguo Wang , Patrick Ng , Ramesh Nallapati , Bing Xiang

One of the most remarkable properties of word embeddings is the fact that they capture certain types of semantic and syntactic relationships. Recently, pre-trained language models such as BERT have achieved groundbreaking results across a…

Computation and Language · Computer Science 2019-12-02 Zied Bouraoui , Jose Camacho-Collados , Steven Schockaert

Pre-trained language models such as BERT have been a key ingredient to achieve state-of-the-art results on a variety of tasks in natural language processing and, more recently, also in information retrieval.Recent research even claims that…

Information Retrieval · Computer Science 2022-05-03 Emma J. Gerritse , Faegheh Hasibi , Arjen P. de Vries

The contextual word embedding model, BERT, has proved its ability on downstream tasks with limited quantities of annotated data. BERT and its variants help to reduce the burden of complex annotation work in many interdisciplinary research…

Computation and Language · Computer Science 2022-04-07 Gechuan Zhang , Paul Nulty , David Lillis

Pre-trained transformer models shine in many natural language processing tasks and therefore are expected to bear the representation of the input sentence or text meaning. These sentence-level embeddings are also important in…

Computation and Language · Computer Science 2025-02-21 Lukas Stankevičius , Mantas Lukoševičius

The growing deluge of scientific publications demands text analysis tools that can help scientists and policy-makers navigate, forecast and beneficially guide scientific research. Recent advances in natural language understanding driven by…

Computation and Language · Computer Science 2021-04-14 Brendan Chambers , James Evans
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