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While user-modeling and recommender systems successfully utilize items like emails, news, and movies, they widely neglect mind-maps as a source for user modeling. We consider this a serious shortcoming since we assume user modeling based on…
Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design. Machine learning offers a compelling pathway to accelerate the exploration, but existing models…
Recommender systems play a central role in providing individualized access to information and services. This paper focuses on collaborative filtering, an approach that exploits the shared structure among mind-liked users and similar items.…
Emerging collaborative Peer-to-Peer (P2P) systems require discovery and utilization of diverse, multi-attribute, distributed, and dynamic groups of resources to achieve greater tasks beyond conventional file and processor cycle sharing.…
In this paper, we present a novel approach to knowledge extraction and retrieval using Natural Language Processing (NLP) techniques for material science. Our goal is to automatically mine structured knowledge from millions of research…
Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require…
Driven by the recent rapid increase in the number of materials databases published (open and commercial), I discuss here some perspectives on the growing need for standardized, interoperable, open databases. The field of computational…
The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…
The acceleration of materials discovery requires digital platforms that go beyond data repositories to embed learning, optimization, and decision-making directly into research workflows. We introduce DataScribe, an AI-native, cloud-based…
Virtual observatories will give astronomers easy access to an unprecedented amount of data. Extracting scientific knowledge from these data will increasingly demand both efficient algorithms as well as the power of parallel computers.…
The world is abundant with diverse materials, each possessing unique surface appearances that play a crucial role in our daily perception and understanding of their properties. Despite advancements in technology enabling the capture and…
Facilitating the application of machine learning to materials science problems will require enhancing the data ecosystem to enable discovery and collection of data from many sources, automated dissemination of new data across the ecosystem,…
The analysis of the practices and the tendencies of the users at the time of the search for information on Internet makes it possible to highlight several points. The search for information becomes powerful after knowledge of the typology…
Recommending items to potentially interested users has been an important commercial task that faces two main challenges: accuracy and explainability. While most collaborative filtering models rely on statistical computations on a large…
NASA JPL scientists working on the micro x-ray fluorescence (microXRF) spectroscopy data collected from Mars surface perform data analysis to look for signs of past microbial life on Mars. Their data analysis workflow mainly involves…
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…
Acquiring valuable data from the rapidly expanding information on the internet has become a significant concern, and recommender systems have emerged as a widely used and effective tool for helping users discover items of interest. The…
The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…
Reliable material property data is crucial for trustworthy simulations throughout different areas of engineering. Special care must be taken when materials at extreme conditions are under study. Superconductors and devices assembled from…
Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…