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Deep neural networks (DNNs) have become an enabling component for a myriad of artificial intelligence applications. DNNs have shown sometimes superior performance, even compared to humans, in cases such as self-driving, health applications,…
Neural network-based machine learning is capable of approximating functions in very high dimension with unprecedented efficiency and accuracy. This has opened up many exciting new possibilities, not just in traditional areas of artificial…
This paper draws attention to the potential of computational methods in reworking data generated in past qualitative studies. While qualitative inquiries often produce rich data through rigorous and resource-intensive processes, much of…
We deliver a call to arms for probabilistic numerical methods: algorithms for numerical tasks, including linear algebra, integration, optimization and solving differential equations, that return uncertainties in their calculations. Such…
Tabular deep-learning methods require embedding numerical and categorical input features into high-dimensional spaces before processing them. Existing methods deal with this heterogeneous nature of tabular data by employing separate…
Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…
Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a…
Deep learning has become the dominant approach for creating high capacity, scalable models across diverse data modalities. However, because these models rely on a large number of learned parameters, tightly couple feature extraction with…
Tensors are ubiquitous in statistics and data analysis. The central object that links data science to tensor theory and algebra is that of a model with latent variables. We provide an overview of tensor theory, with a particular emphasis on…
Missing data is a fundamental challenge in data science, significantly hindering analysis and decision-making across a wide range of disciplines, including healthcare, bioinformatics, social science, e-commerce, and industrial monitoring.…
Artificial Intelligence (AI) is making a profound impact in almost every domain. A vital enabler of its great success is the availability of abundant and high-quality data for building machine learning models. Recently, the role of data in…
High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…
In recent years, deep learning revolutionized machine learning and its applications, producing results comparable to human experts in several domains, including neuroscience. Each year, hundreds of scientific publications present…
Machine learning is a modern approach to problem-solving and task automation. In particular, machine learning is concerned with the development and applications of algorithms that can recognize patterns in data and use them for predictive…
One of the most important problems in modern finance is finding efficient ways to summarize and visualize the stock market data to give individuals or institutions useful information about the market behavior for investment decisions. The…
In this article we review computational aspects of Deep Learning (DL). Deep learning uses network architectures consisting of hierarchical layers of latent variables to construct predictors for high-dimensional input-output models. Training…
Recent advances in data science, machine learning, and artificial intelligence, such as the emergence of large language models, are leading to an increasing demand for data that can be processed by such models. While data sources are…
Artificial Intelligence is rapidly transforming materials science and engineering, offering powerful tools to navigate complexity, accelerate discovery, and optimize material design in ways previously unattainable. Driven by the…
The impact of Machine Learning (ML) algorithms in the age of big data and platform capitalism has not spared scientific research in academia. In this work, we will analyse the use of ML in fundamental physics and its relationship to other…