相关论文: Machine Learning Approaches to Learn HyChem Models

Recent studies indicate that the denoising process in deep generative diffusion models implicitly learns and memorizes semantic information from the data distribution. These findings suggest that capturing more complex data distributions…

Simulation is one of the key components in high energy physics. Historically it relies on the Monte Carlo methods which require a tremendous amount of computation resources. These methods may have difficulties with the expected High…

Tabulated chemistry methods are a well-known strategy to efficiently store the flows thermochemical properties. In particular, the Flamelet-Generated Manifold (FGM) is a widely used technique that generates the database with a small number…

Probability density function (PDF) based turbulent combustion modelling is limited by the need to store multi-dimensional PDF tables that can take up large amounts of memory. A significant saving in storage can be achieved by using various…

Contemporary Artificial Intelligence (AI) and Machine Learning (ML) research places a significant emphasis on transfer learning, showcasing its transformative potential in enhancing model performance across diverse domains. This paper…

The physicochemical mechanisms underlying the pyrolysis of n-hexane in a high temperature Ar-H2 environment were investigated for plasma pyrolysis process. An optimal chemical kinetics model was developed using the Reaction Mechanism…

We present an approach for efficiently training Gaussian Mixture Model (GMM) by Stochastic Gradient Descent (SGD) with non-stationary, high-dimensional streaming data. Our training scheme does not require data-driven parameter…

In recent years, the increasing threat of devastating wildfires has underscored the need for effective prescribed fire management. Process-based computer simulations have traditionally been employed to plan prescribed fires for wildfire…

Western countries rely heavily on wheat, and yield prediction is crucial. Time-series deep learning models, such as Long Short Term Memory (LSTM), have already been explored and applied to yield prediction. Existing literature reported that…

Fuel efficient Homogeneous Charge Compression Ignition (HCCI) engine combustion timing predictions must contend with non-linear chemistry, non-linear physics, period doubling bifurcation(s), turbulent mixing, model parameters that can drift…

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Chemical kinetic models are an essential component in the development and optimisation of combustion devices through their coupling to multi-dimensional simulations such as computational fluid dynamics (CFD). Low-dimensional kinetic models…

Momentum-based acceleration of stochastic gradient descent (SGD) is widely used in deep learning. We propose the quasi-hyperbolic momentum algorithm (QHM) as an extremely simple alteration of momentum SGD, averaging a plain SGD step with a…

Currently, over half of the computing power at CERN GRID is used to run High Energy Physics simulations. The recent updates at the Large Hadron Collider (LHC) create the need for developing more efficient simulation methods. In particular,…

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…

State-of-the-art training algorithms for deep learning models are based on stochastic gradient descent (SGD). Recently, many variations have been explored: perturbing parameters for better accuracy (such as in Extragradient), limiting SGD…

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

This study investigates the application of an artificial neural network to predict the complex dielectric properties of granular catalysts commonly used in microwave reaction chemistry. The study utilizes finite element electromagnetic…

Thermal analysis provides deeper insights into electronic chips behavior under different temperature scenarios and enables faster design exploration. However, obtaining detailed and accurate thermal profile on chip is very time-consuming…