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Sensors such as accelerometers, magnetometers, and gyroscopes are frequently utilized to perform measurements in nuclear power plants. For example, accelerometers are used for vibration monitoring of critical systems. With the recent rise…
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with…
This paper provides a starting point for Software Engineering (SE) researchers and practitioners faced with the problem of training machine learning models on small datasets. Due to the high costs associated with labeling data, in Software…
Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely…
Quantum scattering calculations for all but low-dimensional systems at low energies must rely on approximations. All approximations introduce errors. The impact of these errors is often difficult to assess because they depend on the…
This article presents an algorithm for reducing measurement uncertainty of one physical quantity when given oversampled measurements of two physical quantities with correlated noise. The algorithm assumes that the aleatoric measurement…
Power transformers are subjected to electrical currents and temperature fluctuations that, if not properly controlled, can lead to major deterioration of their insulation system. Therefore, monitoring the temperature of a power transformer…
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…
Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the…
Machine Learning (ML) is of increasing interest for modeling parametric effects in manufacturing processes. But this approach is limited to established processes for which a deep physics-based understanding has been developed over time,…
Over the last few decades, modern industrial processes have investigated several cost-effective methodologies to improve the productivity and yield of semiconductor manufacturing. While playing an essential role in facilitating real-time…
Model predictive control is a powerful tool to generate complex motions for robots. However, it often requires solving non-convex problems online to produce rich behaviors, which is computationally expensive and not always practical in real…
Energy meters need to be calibrated for use in Measurement and Verification (M&V) projects. However, calibration can be prohibitively expensive and affect project feasibility negatively. This study presents a novel low-cost in-situ meter…
This study focuses on inverting time-domain airborne electromagnetic data in 2D by training a neural-network to understand the relationship between data and conductivity, thereby removing the need for expensive forward modeling during the…
Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…
Accurate particle shower simulation remains a critical computational bottleneck for high-energy physics. Traditional Monte Carlo methods, such as Geant4, are computationally prohibitive, while existing machine learning surrogates are tied…
Machine learning employs dynamical algorithms that mimic the human capacity to learn, where the reinforcement learning ones are among the most similar to humans in this respect. On the other hand, adaptability is an essential aspect to…
Modern software systems provide many configuration options which significantly influence their non-functional properties. To understand and predict the effect of configuration options, several sampling and learning strategies have been…
Accurately simulating the properties of liquid water remains a central challenge in molecular simulations. In this work, we use machine learning potentials to investigate how the convergence settings of electronic structure calculations…
In this study, we explore the potential of machine learning for modeling molecular electronic spectral intensities as a continuous function in a given wavelength range. Since presently available chemical space datasets provide excitation…