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Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…
Motivation: Protein embedding, which represents proteins as numerical vectors, is a crucial step in various learning-based protein annotation/classification problems, including gene ontology prediction, protein-protein interaction…
The reproduction of a living cell requires a repeatable set of chemical events to be properly coordinated. Such events define a replication cycle, coupling the growth and shape change of the cell membrane with internal metabolic reactions.…
The lock-in amplifier is a versatile instrument frequently used in physics research. However, many students struggle with the basic operating principles of a lock-in amplifier which can lead to a variety of difficulties. To improve…
Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known molecules seen in training. We find that a key limitation is…
Seemingly we are not so far from Star Trek's food replicator. Generative artificial intelligence is rapidly becoming an integral part of both science and education, offering not only automation of processes but also the dynamic creation of…
Generative AI and agentic tools are reshaping agile software development, yet many engineering curricula still teach agile methods and AI competencies separately and largely lecture-based. This paper presents a project-based AI Engineering…
The spectroscopy measurement is one of main pathways for exploring and understanding the nature. Today, it seems that racing artificial intelligence will remould its styles. The algorithms contained in huge neural networks are capable of…
Writing complex computer programs to study scientific problems requires careful planning and an in-depth knowledge of programming languages and tools. In this chapter the importance of using the right tool for the right problem is…
Capabilities and the number of vision-based models are increasing rapidly. And these vision models are now able to do more tasks like object detection, image classification, instance segmentation etc. with great accuracy. But models which…
Virtual Reality (VR) has emerged as a powerful tool for workforce training, offering immersive, interactive, and risk-free environments that enhance skill acquisition, decision-making, and confidence. Despite its advantages, developing VR…
Foams are versatile by nature and ubiquitous in a wide range of applications, including padding, insulation, and acoustic dampening. Previous work established that foams 3D printed via Viscous Thread Printing (VTP) can in principle combine…
Sequence classification is the task of predicting a class label given a sequence of observations. In many applications such as healthcare monitoring or intrusion detection, early classification is crucial to prompt intervention. In this…
This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…
This paper introduces ESPnet-SPK, a toolkit designed with several objectives for training speaker embedding extractors. First, we provide an open-source platform for researchers in the speaker recognition community to effortlessly build…
One of the oft-cited qualities sought after in a potential future engineering employee is an analytical mind that is "continually examining things." In one sense this examination is discouraged in an instructional laboratory employing…
In computer science, students are encouraged to learn various programming languages such as Python, C++, and Java, equipping them with a broad range of technical skills and problem-solving capabilities. Nevertheless, the design of objective…
The chapter supports educators and postgraduate students in understanding the role of simulation in software engineering research based on the authors' experience. This way, it includes a background positioning simulation-based studies in…
Cellular life requires the presence of a set of biochemical mechanisms in order to maintain a predictable process of growth and division. Several attempts have been made towards the building of minimal protocells from a top-down approach,…
The mass production of complex software has made it impossible to manually test it for security vulnerabilities. Automated security testing tools come in a variety of flavors, function at various stages of software development, and target…