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We introduce machine learning (ML) models that predict the electronic structure of materials across a wide temperature range. Our models employ neural networks and are trained on density functional theory (DFT) data. Unlike most other ML…
The wall cycle in wall-bounded turbulent flows is a complex turbulence regeneration mechanism that remains not fully understood. This study explores the potential of deep reinforcement learning (DRL) for managing the wall regeneration cycle…
Transient computational fluid dynamics (CFD) simulations are essential for many industrial applications, but suffer from high compute costs relative to steady-state simulations. This is due to the need to: (a) reach statistical steadiness…
A novel approach to wall modeling for the incompressible Navier-Stokes equations including flows of moderate and large Reynolds numbers is presented. The basic idea is that a problem-tailored function space allows prediction of turbulent…
This paper explores the recent advancements in enhancing Computational Fluid Dynamics (CFD) tasks through Machine Learning (ML) techniques. We begin by introducing fundamental concepts, traditional methods, and benchmark datasets, then…
We propose a methodology for generating time-dependent turbulent inflow data with the aid of machine learning (ML), which has a possibility to replace conventional driver simulations or synthetic turbulent inflow generators. As for the ML…
Fluid turbulence is an important problem for physics and engineering. Turbulence modeling deals with the development of simplified models that can act as surrogates for representing the effects of turbulence on flow evolution. Such models…
In this paper, we focus on the problem of inferring the underlying reward function of an expert given demonstrations, which is often referred to as inverse reinforcement learning (IRL). In particular, we propose a model-free density-based…
In this work, we use ML techniques to develop presumed PDF models for large eddy simulations of reacting flows. The joint sub-filter PDF of mixture fraction and progress variable is modeled using various ML algorithms and commonly used…
Federated learning has gained popularity as a means of training models distributed across the wireless edge. The paper introduces delay-aware hierarchical federated learning (DFL) to improve the efficiency of distributed machine learning…
The escalation of hazards to safety and hijacking of digital networks are among the strongest perilous difficulties that must be addressed in the present day. Numerous safety procedures were set up to track and recognize any illicit…
Is there a way for a designer to evaluate the performance of a given hood frame geometry without spending significant time on simulation setup? This paper seeks to address this challenge by developing a multimodal machine-learning (MMML)…
A new approach to turbulence simulation, based on a combination of large-eddy simulation (LES) for the whole flow and an array of non-space-filling quasi-direct numerical simulations (QDNS), which sample the response of near-wall turbulence…
Recently, the combination of machine learning (ML) and simulation is gaining a lot of attention. This paper presents a novel application of ML within the simulation to improve patient flow within an emergency department (ED). An ML model…
Computational Fluid Dynamics (CFD) is a major sub-field of engineering. Corresponding flow simulations are typically characterized by heavy computational resource requirements. Often, very fine and complex meshes are required to resolve…
We investigate the impact of choosing regressors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state properties of organic molecules. The performance of each…
The complexity of the topological and combinatorial configuration space of MXenes can give rise to gigantic design challenges that cannot be addressed through traditional experimental or routine theoretical approaches. To this end, we…
Cybersecurity has become one of the focuses of organisations. The number of cyberattacks keeps increasing as Internet usage continues to grow. An intrusion detection system (IDS) is an alarm system that helps to detect cyberattacks. As new…
Streamlined weirs which are a nature-inspired type of weir have gained tremendous attention among hydraulic engineers, mainly owing to their established performance with high discharge coefficients. Computational fluid dynamics (CFD) is…
Designing efficient algorithms for combinatorial optimization appears ubiquitously in various scientific fields. Recently, deep reinforcement learning (DRL) frameworks have gained considerable attention as a new approach: they can automate…