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In this paper, we introduce Partial Information Decomposition of Features (PIDF), a new paradigm for simultaneous data interpretability and feature selection. Contrary to traditional methods that assign a single importance value, our…
Electrospinning is a versatile nanofabrication technique whose outcomes emerge from a complex, high-dimensional interplay between solution properties, processing parameters, and environmental conditions. Optimizing this parameter space for…
Driven by the recent advances in smart, miniaturized, and mass produced sensors, networked systems, and high-speed data communication and computing, the ability to collect and process larger volumes of higher veracity real-time data from a…
In this paper, research on AI based modeling technique to optimize development of new alloys with necessitated improvements in properties and chemical mixture over existing alloys as per functional requirements of product is done. The…
Database engines have historically absorbed many of the innovations in data processing, adding features to process graph data, XML, object oriented, and text among many others. In this paper, we make the case that it is time to do the same…
Designing multi-functional alloys requires exploring high-dimensional composition-structure-property spaces, yet current tools are limited to low-dimensional projections and offer limited support for sensitivity or multi-objective tradeoff…
One of the challenges in fusion reactors is the discovery of plasma facing materials capable of withstanding extreme conditions, such as radiation damage and high heat flux. Development of fusion materials can be a daunting task since vast…
Recently, Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S Schmidt, Nicki F Hinsche, Morten N Gjerding, Daniele Torelli, Peter M Larsen, Anders C Riis-Jensen, Jakob Gath, Karsten W Jacobsen, Jens Jrgen Mortensen,…
Accurate prediction of mechanical properties of steel during hot rolling processes, such as Thin Slab Direct Rolling (TSDR), remains challenging due to complex interactions among chemical compositions, processing parameters, and resultant…
The area-normalized change of mass ($\Delta$m/A) with time during the oxidation of metallic alloys is commonly used to assess oxidation resistance. Analyses of such data can also aid in evaluating underlying oxidation mechanisms. We…
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as the band gap variation,…
Big Data are growing at an exponential rate and it becomes necessary the use of tools and technologies to manage, process and visualize them in order to extract value. In this paper a micro-service based platform is presented for the…
Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…
Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…
Factor Analysis has proved to be a powerful tool for the full exploitation of the chemical information included in the peak shapes and peak positions of spectra measured by AES depth profiling. Due to its ability to extract the number of…
Multimodal medical analysis combining image and tabular data has gained increasing attention. However, effective fusion remains challenging due to cross-modal discrepancies in feature dimensions and modality contributions, as well as the…
Tabular data, widely used in various applications such as industrial control systems, finance, and supply chain, often contains complex interrelationships among its attributes. Data disentanglement seeks to transform such data into latent…
Atomistic modeling of thin-film processes provides an avenue not only for discovering key chemical mechanisms of the processes but also to extract quantitative metrics on the events and reactions taking place at the gas-surface interface.…
Sodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast charging due to a Na-ion mobility higher than that of Li. The…
Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…