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Anomaly detection aims to identify observations that deviate from the typical pattern of data. Anomalous observations may correspond to financial fraud, health risks, or incorrectly measured data in practice. We show detecting anomalies in…

Machine Learning · Statistics 2020-05-26 Matthew Davidow , David S. Matteson

In materials sciences, a large amount of research data is generated through a broad spectrum of different experiments. As of today, experimental research data including meta-data in materials science is often stored decentralized by the…

Databases · Computer Science 2015-01-07 Thorsten Wuest , Rainer Tinscher , Robert Porzel , Klaus-Dieter Thoben

Freestanding thin films, a class of low-dimensional materials capable of maintaining structural integrity without substrates, have emerged as a forefront research focus. Their unique advantages-circumventing substrate clamping, liberating…

Materials Science · Physics 2026-01-26 Li Liu , Peixin Qin , Guojian Zhao , Zhiyuan Duan , Jingyu Li , Sixu Jiang , Xiaoyang Tan , Xiaoning Wang , Ziang Meng , Zhiqi Liu

Tabular data learning has extensive applications in deep learning but its existing embedding techniques are limited in numerical and categorical features such as the inability to capture complex relationships and engineering. This paper…

Machine Learning · Computer Science 2024-09-02 Yuqian Wu , Hengyi Luo , Raymond S. T. Lee

The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular interest are emerging materials that display exceptional…

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

We introduce a new data fusion method that utilizes multiple data sources to estimate a smooth, finite-dimensional parameter. Most existing methods only make use of fully aligned data sources that share common conditional distributions of…

Methodology · Statistics 2025-04-30 Sijia Li , Peter B. Gilbert , Rui Duan , Alex Luedtke

Data-driven soft sensors are extensively used in industrial and chemical processes to predict hard-to-measure process variables whose real value is difficult to track during routine operations. The regression models used by these sensors…

Machine Learning · Computer Science 2023-04-11 Davide Cacciarelli , Murat Kulahci , John Tyssedal

WebAssembly is the new low-level language for the web and has now been implemented in all major browsers since over a year. To ensure the security, performance, and correctness of future web applications, there is a strong need for dynamic…

Programming Languages · Computer Science 2018-09-03 Daniel Lehmann , Michael Pradel

We present a publicly accessible database designed to aid in the conception, training, demonstration, evaluation, and comparison of reduced-complexity models for fluid mechanics. Availability of high-quality flow data is essential for all…

A common approach to data analysis involves understanding and manipulating succinct representations of data. In earlier work, we put forward a succinct representation system for relational data called factorised databases and reported on…

Databases · Computer Science 2013-07-02 Nurzhan Bakibayev , Tomáš Kočiský , Dan Olteanu , Jakub Závodný

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

With the rapid development of imaging sensor technology in the field of remote sensing, multi-modal remote sensing data fusion has emerged as a crucial research direction for land cover classification tasks. While diffusion models have made…

Computer Vision and Pattern Recognition · Computer Science 2024-01-08 DaiXun Li , Weiying Xie , ZiXuan Wang , YiBing Lu , Yunsong Li , Leyuan Fang

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

Materials Science · Physics 2020-06-12 Kevin Maik Jablonka , Daniele Ongari , Seyed Mohamad Moosavi , Berend Smit

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

Materials Science · Physics 2018-11-23 Corey Oses

Compositional data are commonly known as multivariate observations carrying relative information. Even though the case of vector or even two-factorial compositional data (compositional tables) is already well described in the literature,…

Methodology · Statistics 2022-01-26 Kamila Fačevicová , Peter Filzmoser , Karel Hron

Unsupervised image anomaly detection (UAD) has become a critical process in industrial and medical applications, but it faces growing challenges due to increasing concerns over data privacy. The limited class diversity inherent to one-class…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-30 Silin Chen , Andy Liu , Kangjian Di , Yichu Xu , Han-Jia Ye , Wenhan Luo , Ningmu Zou

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

Effective monitoring of manufacturing processes is crucial for maintaining product quality and operational efficiency. Modern manufacturing environments generate vast amounts of multimodal data, including visual imagery from various…

Federated learning (FL) is a promising paradigm to enable privacy-preserving deep learning from distributed data. Most previous works are based on federated average (FedAvg), which, however, faces several critical issues, including a high…

Machine Learning · Computer Science 2022-03-15 Lumin Liu , Jun Zhang , S. H. Song , Khaled B. Letaief