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Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…

Materials Science · Physics 2023-01-18 Rongzhi Dong , Yuqi Song , Edirisuriya M. D. Siriwardane , Jianjun Hu

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Two-dimensional (2D) materials have showed widespread applications in energy storage and conversion owning to their unique physicochemical, and electronic properties. Most of the valuable information for the materials, such as their…

Computation and Language · Computer Science 2025-11-27 Lijun Shang , Yadong Yu , Wenqiang Kang , Jian Zhou , Dongyue Gao , Pan Xiang , Zhe Liu , Mengyan Dai , Zhonglu Guo , Zhimei Sun

To ensure the fairness and trustworthiness of machine learning (ML) systems, recent legislative initiatives and relevant research in the ML community have pointed out the need to document the data used to train ML models. Besides,…

Machine Learning · Computer Science 2024-12-18 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

Traditionally, mathematical knowledge is published in printed media such as books or journals. With the advent of the Internet, a new method of publication became available. To date, however, most online mathematical publications do not…

History and Overview · Mathematics 2011-03-01 Markus J. Pflaum , John Tuley

The AMIDER, Advanced Multidisciplinary Integrated-Database for Exploring new Research, is a newly developed research data catalog to demonstrate an advanced database application. AMIDER is characterized as a multidisciplinary database…

Knowledge distillation aims to learn a lightweight student network from a pre-trained teacher network. In practice, existing knowledge distillation methods are usually infeasible when the original training data is unavailable due to some…

Computer Vision and Pattern Recognition · Computer Science 2023-07-24 Jialiang Tang , Shuo Chen , Gang Niu , Masashi Sugiyama , Chen Gong

Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive generative models for tabular data is challenging due to its…

Machine Learning · Computer Science 2025-02-18 Juntong Shi , Minkai Xu , Harper Hua , Hengrui Zhang , Stefano Ermon , Jure Leskovec

Knowledge of the creation date of documents facilitates several tasks such as summarization, event extraction, temporally focused information extraction etc. Unfortunately, for most of the documents on the Web, the time-stamp metadata is…

Computation and Language · Computer Science 2019-02-07 Swayambhu Nath Ray , Shib Sankar Dasgupta , Partha Talukdar

This paper introduces MatKG, a novel graph database of key concepts in material science spanning the traditional material-structure-property-processing paradigm. MatKG is autonomously generated through transformer-based, large language…

Materials Science · Physics 2022-11-01 Vineeth Venugopal , Sumit Pai , Elsa Olivetti

Many fields of science rely on relational database management systems to analyze, publish and share data. Since RDBMS are originally designed for, and their development directions are primarily driven by, business use cases they often lack…

Databases · Computer Science 2013-08-08 László Dobos , Alexander S. Szalay , Tamás Budavári , István Csabai , Nolan Li

Data-intensive applications often require exploratory analysis of large datasets. If analysis is performed on distributed resources, data locality can be crucial to high throughput and performance. We propose a "data diffusion" approach…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-17 Ioan Raicu , Yong Zhao , Ian Foster , Alex Szalay

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Nikolai Kalischek , Torben Peters , Jan D. Wegner , Konrad Schindler

From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful deep learning models and learning algorithms has proceeded at breakneck speeds. In part, we believe that rapid iteration of model…

Computational Engineering, Finance, and Science · Computer Science 2022-11-17 Shehtab Zaman , Ethan Ferguson , Cecile Pereira , Denis Akhiyarov , Mauricio Araya-Polo , Kenneth Chiu

Distributed ledgers are a new type of database technology that allows open access to data stored across distributed, decentralised, publicly maintained infrastructures. Current implementations of the such ledgers expect competition between…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-21 Phani Chitti

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges to the efficient discovery and integration of new materials. Traditional methods, often reliant on costly and…

Computation and Language · Computer Science 2025-05-16 Yanpeng Ye , Jie Ren , Shaozhou Wang , Yuwei Wan , Imran Razzak , Bram Hoex , Haofen Wang , Tong Xie , Wenjie Zhang

A metadata schema, named Plasma-MDS, is introduced to support research data management in plasma science. Plasma-MDS is suitable to facilitate the publication of research data following the FAIR principles in domain-specific repositories…

Plasma Physics · Physics 2020-12-22 Steffen Franke , Lucian Paulet , Jan Schäfer , Deborah O'Connell , Markus M. Becker

As material modeling and simulation has become vital for modern materials science, research data with distinctive physical principles and extensive volume are generally required for full elucidation of the material behavior across all…

Materials Science · Physics 2024-07-03 Somnath Bharech , Yangyiwei Yang , Michael Selzer , Britta Nestler , Bai-Xiang Xu