Related papers: Machine Learning Methods for Anomaly Detection in …
We demonstrate the utility of an unsupervised machine learning tool for the detection of phase transitions in off-lattice systems. We focus on the application of principal component analysis (PCA) to detect the freezing transitions of…
In this paper we propose a novel machine-learning method for anomaly detection applicable to data with periodic characteristics where randomly varying period lengths are explicitly allowed. A multi-dimensional time series analysis is…
The goal of the state estimation (SE) algorithm is to estimate complex bus voltages as state variables based on the available set of measurements in the power system. Because phasor measurement units (PMUs) are increasingly being used in…
Nuclear power plant operators face significant challenges due to unpredictable deviations between offline and online thermal limits, a phenomenon known as thermal limit bias, which leads to conservative design margins, increased fuel costs,…
Using machine learning, we explore the utility of various deep neural networks (NN) when applied to high harmonic generation (HHG) scenarios. First, we train the NNs to predict the time-dependent dipole and spectra of HHG emission from…
Highly energetic electron-hole pairs (hot carriers) formed from plasmon decay in metallic nanostructures promise sustainable pathways for energy-harvesting devices. However, efficient collection before thermalization remains an obstacle for…
The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…
Accurately predicting plasma behavior based on discharge configurations is essential for the safe and efficient operation of tokamak experiments. While physics-based integrated modeling codes provide valuable insights, their high…
Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…
By informing the onset of the degradation process, health status evaluation serves as a significant preliminary step for reliable remaining useful life (RUL) estimation of complex equipment. This paper proposes a novel temporal dynamics…
Machine-learning methods are nowadays of common use in the field of material science. For example, they can aid in optimizing the physicochemical properties of new materials, or help in the characterization of highly complex chemical…
Resistance spot welding is the dominant joining process for the body-in-white in the automotive industry, where the weld nugget diameter is the key quality metric. Its measurement requires destructive testing, limiting the potential for…
The control of complex systems is of critical importance in many branches of science, engineering, and industry. Controlling an unsteady fluid flow is particularly important, as flow control is a key enabler for technologies in energy…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…
Transformer has become fundamental to a vast series of pre-trained large models that have achieved remarkable success across diverse applications. Machine unlearning, which focuses on efficiently removing specific data influences to comply…
We use machine learning algorithms to detect the crystalline phase in undercooled melts in molecular dynamics simulations. Our classification method is based on local conformation and environmental fingerprints of individual monomers. In…
This paper proposes a tractable framework to determine key characteristics of non-linear dynamic systems by converting physics-informed neural networks to a mixed integer linear program. Our focus is on power system applications.…
In this paper, we show the implementation of deep neural networks applied in process control. In our approach, we based the training of the neural network on model predictive control. Model predictive control is popular for its ability to…
One of the challenges in operating nuclear power plants is to decide the amount of fuel needed in a cycle. Large-scale nuclear power plants are designed to operate at base load, meaning that they are expected to always operate at full…
Grid decarbonization for climate change requires dispatchable carbon-free energy like nuclear fusion. The tokamak concept offers a promising path for fusion, but one of the foremost challenges in implementation is the occurrence of…