相关论文: Generalizable Prediction Model of Molten Salt Mixt…

Due to extreme chemical, thermal, and radiation environments, existing molten salt property databases lack the necessary experimental thermal properties of reactor-relevant salt compositions. Meanwhile, simulating these properties directly…

Delimiting salt inclusions from migrated images is a time-consuming activity that relies on highly human-curated analysis and is subject to interpretation errors or limitations of the methods available. We propose to use migrated images…

Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development of a machine learning interatomic potential (MLIP) called…

LiF-NaF-ZrF4 multicomponent molten salts are promising candidate coolants for advanced clean energy systems owing to their desirable thermophysical and transport properties. However, the complex structures enabling these properties, and…

One of the most crucial tasks in seismic reflection imaging is to identify the salt bodies with high precision. Traditionally, this is accomplished by visually picking the salt/sediment boundaries, which requires a great amount of manual…

We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data representation of a molecule. We define multiple channels that…

Detecting heavy metal pollution in soils and seaports is vital for regional environmental monitoring. The Pollution Load Index (PLI), an international standard, is commonly used to assess heavy metal containment. However, the conventional…

In real applications, different computation-resource devices need different-depth networks (e.g., ResNet-18/34/50) with high-accuracy. Usually, existing methods either design multiple networks and train them independently, or construct…

Deep learning has shown great promise in diverse areas of computer vision, such as image classification, object detection and semantic segmentation, among many others. However, as it has been repeatedly demonstrated, deep learning methods…

Knowledge distillation is an effective way for model compression in deep learning. Given a large model (i.e., teacher model), it aims to improve the performance of a compact model (i.e., student model) by transferring the information from…

In this work, we developed a compositionally transferable machine learning interatomic potential using atomic cluster expansion potential and PBE-D3 method for (NaCl)1-x(MgCl2)x molten salt and we showed that it is possible to fit a robust…

We present a research study aimed at testing of applicability of machine learning techniques for prediction of permeability of digitized rock samples. We prepare a training set containing 3D images of sandstone samples imaged with X-ray…

This paper explores the use of knowledge distillation to improve a Multi-Task Deep Neural Network (MT-DNN) (Liu et al., 2019) for learning text representations across multiple natural language understanding tasks. Although ensemble learning…

We develop new transfer learning algorithms to accelerate prediction of material properties from ab initio simulations based on density functional theory (DFT). Transfer learning has been successfully utilized for data-efficient modeling in…

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom and molecule features from the fed atom (and, in some…

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i)…

Data scarcity, bias, and experimental noise are all frequently encountered problems in the application of deep learning to chemical and material science disciplines. Transfer learning has proven effective in compensating for the lack in…

Several Deep Learning (DL) methods have recently been proposed for an automated identification of kidney stones during an ureteroscopy to enable rapid therapeutic decisions. Even if these DL approaches led to promising results, they are…