Related papers: Nuclear Mass Predictions Using a Neural Network wi…

We report a deep generative model for regression tasks in materials informatics. The model is introduced as a component of a data imputer, and predicts more than 20 diverse experimental properties of organic molecules. The imputer is…

Deep neural networks (DNNs) have achieved state-of-the-art performance across a variety of traditional machine learning tasks, e.g., speech recognition, image classification, and segmentation. The ability of DNNs to efficiently approximate…

Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been precluded by their…

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

The kernel ridge regression (KRR) method with Gaussian kernel is used to improve the description of the nuclear charge radius by several phenomenological formulae. The widely used $A^{1/3}$, $N^{1/3}$ and $Z^{1/3}$ formulae, and their…

This paper presents a method for approximate Gaussian process (GP) regression with tensor networks (TNs). A parametric approximation of a GP uses a linear combination of basis functions, where the accuracy of the approximation depends on…

A nuclear reactor based on MIT BEAVRS benchmark was used as a typical power generating Pressurized Water Reactor (PWR). The PARCS v3.2 nodal-diffusion core simulator was used as a full-core reactor physics solver to emulate the operation of…

Neural network potentials are a powerful tool for atomistic simulations, allowing to accurately reproduce \textit{ab initio} potential energy surfaces with computational performance approaching classical force fields. A central component of…

While Graph Neural Networks (GNNs) recently became powerful tools in graph learning tasks, considerable efforts have been spent on improving GNNs' structural encoding ability. A particular line of work proposed subgraph GNNs that use…

We present a simple linear regression based approach for learning the weights and biases of a neural network, as an alternative to standard gradient based backpropagation. The present work is exploratory in nature, and we restrict the…

Gaussian process regression is a classical kernel method for function estimation and data interpolation. In large data applications, computational costs can be reduced using low-rank or sparse approximations of the kernel. This paper…

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

We characterize the power-law asymptotics of learning curves for Gaussian process regression (GPR) under the assumption that the eigenspectrum of the prior and the eigenexpansion coefficients of the target function follow a power law. Under…

Graph Neural Networks (GNNs) have emerged as formidable resources for processing graph-based information across diverse applications. While the expressive power of GNNs has traditionally been examined in the context of graph-level tasks,…

Complex-valued signals are used in the modeling of many systems in engineering and science, hence being of fundamental interest. Often, random complex-valued signals are considered to be proper. A proper complex random variable or process…

Autonomous experiments are excellent tools to increase the efficiency of material discovery. Indeed, AI and ML methods can help optimizing valuable experimental resources as, for example, beam time in neutron scattering experiments, in…

We implement machine learning algorithms to nuclear data. These algorithms are purely data driven and generate models that are capable to capture intricate trends. Gradient boosted trees algorithm is employed to generate a trained model…

We introduce a method to train Quantized Neural Networks (QNNs) --- neural networks with extremely low precision (e.g., 1-bit) weights and activations, at run-time. At train-time the quantized weights and activations are used for computing…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Graph neural networks (GNNs) are one of the most popular approaches to using deep learning on graph-structured data, and they have shown state-of-the-art performances on a variety of tasks. However, according to a recent study, a careful…