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A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Machine Learning · Computer Science 2020-06-30 Yabo Dan , Yong Zhao , Xiang Li , Shaobo Li , Ming Hu , Jianjun Hu

Accurate and comprehensive material databases extracted from research papers are crucial for materials science and engineering, but their development requires significant human effort. With large language models (LLMs) transforming the way…

Neural models that do not rely on pre-training have excelled in the keyphrase generation task with large annotated datasets. Meanwhile, new approaches have incorporated pre-trained language models (PLMs) for their data efficiency. However,…

Computation and Language · Computer Science 2024-02-26 Di Wu , Wasi Uddin Ahmad , Kai-Wei Chang

We analyzed effectiveness of three generative pre-trained transformer (GPT) models in answering multiple-choice question (MCQ) assessments, often involving short snippets of code, from introductory and intermediate programming courses at…

Computation and Language · Computer Science 2023-03-15 Jaromir Savelka , Arav Agarwal , Christopher Bogart , Majd Sakr

Transformer-based language models are effective but complex, and understanding their inner workings and reasoning mechanisms is a significant challenge. Previous research has primarily explored how these models handle simple tasks like name…

Computation and Language · Computer Science 2025-05-20 Zeyuan Allen-Zhu , Yuanzhi Li

Transformer architectures contribute to managing long-term dependencies for Natural Language Processing, representing one of the most recent changes in the field. These architectures are the basis of the innovative, cutting-edge Large…

Computation and Language · Computer Science 2024-09-06 Silvia García-Méndez , Francisco de Arriba-Pérez , María del Carmen Somoza-López

Learning from nature has been a quest of humanity for millennia. While this has taken the form of humans assessing natural designs such as bones, butterfly wings, or spider webs, we can now achieve generating designs using advanced…

Materials Science · Physics 2023-01-18 Markus J. Buehler

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Computation and Language · Computer Science 2023-11-01 Markus J. Buehler

The mathematical formula is the human language to describe nature and is the essence of scientific research. Finding mathematical formulas from observational data is a major demand of scientific research and a major challenge of artificial…

Machine Learning · Computer Science 2024-04-10 Yanjie Li , Weijun Li , Lina Yu , Min Wu , Jingyi Liu , Wenqiang Li , Meilan Hao , Shu Wei , Yusong Deng

Both humans and large language models are able to learn language without explicit structural supervision. What inductive biases make this learning possible? We address this fundamental cognitive question by leveraging transformer language…

Computation and Language · Computer Science 2023-10-31 Isabel Papadimitriou , Dan Jurafsky

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Materials Science · Physics 2025-12-29 Izumi Takahara , Teruyasu Mizoguchi , Bang Liu

Dedicated model transformation languages are claimed to provide many benefits over the use of general purpose languages for developing model transformations. However, the actual advantages associated with the use of MTLs are poorly…

Software Engineering · Computer Science 2023-05-12 Stefan Höppner , Matthias Tichy

Modern generative pre-trained language models excel at open-ended text generation, yet continue to underperform on structure-related tasks such as NER, relation extraction, and semantic role labeling, especially when compared to…

Computation and Language · Computer Science 2025-12-23 Minho Lee , Junghyun Min , Yerang Kim , Woochul Lee , Yeonsoo Lee

Recent work explored the potential of large-scale Transformer-based pre-trained models, especially Pre-trained Language Models (PLMs) in natural language processing. This raises many concerns from various perspectives, e.g., financial costs…

Computation and Language · Computer Science 2022-05-23 Yuxin Ren , Benyou Wang , Lifeng Shang , Xin Jiang , Qun Liu

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

Language models (LMs) exhibit and amplify many types of undesirable biases learned from the training data, including gender bias. However, we lack tools for effectively and efficiently changing this behavior without hurting general language…

Computation and Language · Computer Science 2023-10-20 Abhijith Chintam , Rahel Beloch , Willem Zuidema , Michael Hanna , Oskar van der Wal

Background: Over the past few decades, the process and methodology of automated question generation (AQG) have undergone significant transformations. Recent progress in generative natural language models has opened up new potential in the…

Artificial Intelligence · Computer Science 2024-12-06 Dominic Lohr , Marc Berges , Abhishek Chugh , Michael Kohlhase , Dennis Müller

Large-scale, transformer-based language models such as GPT-2 are pretrained on diverse corpora scraped from the internet. Consequently, they are prone to generating non-normative text (i.e. in violation of social norms). We introduce a…

Computation and Language · Computer Science 2020-11-02 Xiangyu Peng , Siyan Li , Spencer Frazier , Mark Riedl

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability.…

Materials Science · Physics 2023-08-03 Vadim Korolev , Pavel Protsenko

Expressing natural language descriptions of structured facts or relations -- data-to-text generation (D2T) -- increases the accessibility of structured knowledge repositories. Previous work shows that pre-trained language models(PLMs)…

Computation and Language · Computer Science 2022-05-24 Moniba Keymanesh , Adrian Benton , Mark Dredze
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