相关论文: Deep learning-driven evaluation and prediction of …

The thermoelectric performance of materials exhibits complex nonlinear dependencies on both elemental types and their proportions, rendering traditional trial-and-error approaches inefficient and time-consuming for material discovery. In…

Composites are amongst the most important materials manufactured today, as evidenced by their use in countless applications. In order to establish the suitability of composites in specific applications, finite element (FE) modelling, a…

We have applied recent machine learning advances, deep convolutional neural network, to three-dimensional (voxels) soft matter data, generated by Molecular Dynamics computer simulation. We have focused on the structural and phase properties…

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

Batteries are a key enabling technology for the decarbonization of transport and energy sectors. The safe and reliable operation of batteries is crucial for battery-powered systems. In this direction, the development of accurate and robust…

Manufacturing of microstructures using a microfluidic device is a largely empirical effort due to the multi-physical nature of the fabrication process. As such, models are desired that will predict microstructure performance characteristics…

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Molecular dynamics simulations have been extensively used to predict thermal properties, but simulating different phases with similar precision using a unified force field is often difficult, due to the lack of accurate and transferrable…

To improve predictive models for STEM applications, supplemental physics-based features computed from input parameters are introduced into single and multiple layers of a deep neural network (DNN). While many studies focus on informing DNNs…

The deep learning technique has been applied for the first time to investigate the possibility of centrality determination in terms of the number of participants ($N_{\mathrm{part}}$) in high-energy heavy-ion collisions. For this purpose,…

Deep neural networks (DNNs) utilized recently are physically deployed with computational units (e.g., CPUs and GPUs). Such a design might lead to a heavy computational burden, significant latency, and intensive power consumption, which are…

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…

Homogenization is a technique commonly used in multiscale computational science and engineering for predicting collective response of heterogeneous materials and extracting effective mechanical properties. In this paper, a three-dimensional…

We scrutinize the structural and operational aspects of deep learning models, particularly focusing on the nuances of learnable parameters (weight) statistics, distribution, node interaction, and visualization. By establishing correlations…

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Deep Neural Networks (DNNs) have had a significant impact on domains like autonomous vehicles and smart cities through low-latency inferencing on edge computing devices close to the data source. However, DNN training on the edge is poorly…

High-throughput computational screening has emerged as a critical component of materials discovery. Direct density functional theory (DFT) simulation of inorganic materials and molecular transition metal complexes is often used to describe…

Advanced computational methods are being actively sought for addressing the challenges associated with discovery and development of new combinatorial material such as formulations. A widely adopted approach involves domain informed…

Accurate day-ahead individual residential load forecasting is of great importance to various applications of smart grid on day-ahead market. Deep learning, as a powerful machine learning technology, has shown great advantages and promising…

Our proposed deeply-supervised nets (DSN) method simultaneously minimizes classification error while making the learning process of hidden layers direct and transparent. We make an attempt to boost the classification performance by studying…