Related papers: PiNN: A Python Library for Building Atomic Neural …

Physics-informed neural network (PINN) has been a prevalent framework for solving PDEs since proposed. By incorporating the physical information into the neural network through loss functions, it can predict solutions to PDEs in an…

An artificial neural network (ANN) is investigated as a tool for estimating rate coefficients for the collisional excitation of molecules. The performance of such a tool can be evaluated by testing it on a dataset of collisionally-induced…

Artificial neural networks which are inspired from the learning mechanism of brain have achieved great successes in many problems, especially those with deep layers. In this paper, we propose a nucleus neural network (NNN) and corresponding…

This study presents a novel physics-informed neural network (PINN) framework for modeling poroelasticity in heterogeneous media with material interfaces. The approach introduces a composite neural network (CoNN) where separate neural…

A novel Trunk-Branch (TB)-net physics-informed neural network (PINN) architecture is developed, which is a PINN-based method incorporating trunk and branch nets to capture both global and local features. The aim is to solve four main…

Spiking Neural Networks (SNNs) have garnered considerable attention as a potential alternative to Artificial Neural Networks (ANNs). Recent studies have highlighted SNNs' potential on large-scale datasets. For SNN training, two main…

Physics-Informed Neural Networks (PINNs) are Neural Network architectures trained to emulate solutions of differential equations without the necessity of solution data. They are currently ubiquitous in the scientific literature due to their…

Training convolutional neural networks (CNNs) with back-propagation (BP) is time-consuming and resource-intensive particularly in view of the need to visit the dataset multiple times. In contrast, analytic learning attempts to obtain the…

Quantum many-body systems are of great interest for many research areas, including physics, biology and chemistry. However, their simulation is extremely challenging, due to the exponential growth of the Hilbert space with the system size,…

Spiking neural networks (SNNs) represent the most prominent biologically inspired computing model for neuromorphic computing (NC) architectures. However, due to the non-differentiable nature of spiking neuronal functions, the standard error…

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system. The traditional approach for fitting the potential energy…

The massive use of artificial neural networks (ANNs), increasingly popular in many areas of scientific computing, rapidly increases the energy consumption of modern high-performance computing systems. An appealing and possibly more…

Colored Petri Nets (CPNs) are an established formalism for modeling processes where tokens carry data. Although tools like CPN Tools and CPN IDE excel at CPN-based simulation, they are often separate from modern data science ecosystems.…

The simulation of power system dynamics poses a computationally expensive task. Considering the growing uncertainty of generation and demand patterns, thousands of scenarios need to be continuously assessed to ensure the safety of power…

Spiking Neural Networks (SNNs) represent a biologically inspired paradigm offering an energy-efficient alternative to conventional artificial neural networks (ANNs) for Computer Vision (CV) applications. This paper presents a systematic…

The main computational task of Scientific Machine Learning (SciML) is function regression, required both for inputs as well as outputs of a simulation. Physics-Informed Neural Networks (PINNs) and neural operators (such as DeepONet) have…

Acid mine drainage (AMD) is one of the common environmental problems in the coal mining industry that was formed by the oxidation of sulfide minerals in the overburden or waste rock. The prediction of acid generation through AMD is…

Physics-informed neural networks (PINNs) [31] use automatic differentiation to solve partial differential equations (PDEs) by penalizing the PDE in the loss function at a random set of points in the domain of interest. Here, we develop a…

Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…