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This literature review presents a comprehensive overview of machine learning (ML) applications in proton magnetic resonance spectroscopy (MRS). As the use of ML techniques in MRS continues to grow, this review aims to provide the MRS…
Despite successful use in a wide variety of disciplines for data analysis and prediction, machine learning (ML) methods suffer from a lack of understanding of the reliability of predictions due to the lack of transparency and black-box…
Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…
One of the fundamental steps toward understanding a complex system is identifying variation at the scale of the system's components that is most relevant to behavior on a macroscopic scale. Mutual information provides a natural means of…
Machine learning (ML) is probably the first and foremost used technique to deal with the size and complexity of the new generation of data. In this paper, we analyze one of the means to increase the performances of ML algorithms which is…
This chapter is dedicated to the assessment and performance estimation of machine learning (ML) algorithms, a topic that is equally important to the construction of these algorithms, in particular in the context of cyberphysical security…
Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends on robust benchmarks and minimal, information-rich…
Indistinguishability is a fundamental principle of cryptographic security, crucial for securing data transmitted between Internet of Things (IoT) devices. This principle ensures that an attacker cannot distinguish between the encrypted…
Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…
Machine Learning (ML) has revamped every domain of life as it provides powerful tools to build complex systems that learn and improve from experience and data. Our key insight is that to solve a machine learning problem, data scientists do…
Microplastics are increasingly recognized as a global environmental health threat, yet their detection and characterization remain constrained by the cost, form factor, and throughput of existing analytical tools. Portable…
Hackathons are time-bound collaborative events that often target software creation. Although hackathons have been studied in the past, existing work focused on in-depth case studies limiting our understanding of hackathons as a software…
Machine learning (ML) in medicine has transitioned from research to concrete applications aimed at supporting several medical purposes like therapy selection, monitoring and treatment. Acceptance and effective adoption by clinicians and…
Data collection is a major bottleneck in machine learning and an active research topic in multiple communities. There are largely two reasons data collection has recently become a critical issue. First, as machine learning is becoming more…
Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resource considerations across the AI-driven…
It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…
Machine Learning (ML) is currently being exploited in numerous applications being one of the most effective Artificial Intelligence (AI) technologies, used in diverse fields, such as vision, autonomous systems, and alike. The trend…
Deep learning has achieved remarkable success in many machine learning tasks such as image classification, speech recognition, and game playing. However, these breakthroughs are often difficult to translate into real-world engineering…
High-resolution transmission electron microscopy (HRTEM) is crucial for observing material's structural and morphological evolution at Angstrom scales, but the electron beam can alter these processes. Devices such as CMOS-based…
Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…