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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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,…
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…
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…
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…