相关论文: dPOLY: Deep Learning of Polymer Phases and Phase T…

The state-of-the-art deep learning-based object recognition YOLO algorithm and object tracking DeepSORT algorithm are combined to analyze digital images from fluid dynamic simulations of multi-core emulsions and soft flowing crystals and to…

Artificial Intelligence (AI) technology is based on theory and development of computer systems able to perform tasks that normally require human intelligence. In this context, deep learning is a family of computational methods that allow an…

Deep neural networks have rightfully won the place of one of the most accurate analysis tools in high energy physics. In this paper we will cover several methods of improving the performance of a deep neural network in a classification task…

We identify configurational phases and structural transitions in a polymer nanotube composite by means of machine learning. We employ various unsupervised dimensionality reduction methods, conventional neural networks, as well as the…

Polygonal modeling is a core task of content creation in Computer Graphics. The complexity of modeling, in terms of the number and the order of operations and time required to execute them makes it challenging to learn and execute. Our goal…

The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from…

Global artificial intelligence (AI) models are rapidly advancing and beginning to outperform traditional numerical weather prediction (NWP) models across metrics, yet predicting regional extreme weather such as tropical cyclone (TC)…

Deep learning is the backbone of artificial intelligence technologies, and it can be regarded as a kind of multilayer feedforward neural network. An essence of deep learning is information propagation through layers. This suggests that…

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Seasonal forecasting remains challenging due to the inherent chaotic nature of atmospheric dynamics. This paper introduces DeepSeasons, a novel deep learning approach designed to enhance the accuracy and reliability of seasonal forecasts.…

Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers.…

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

In this paper, we discuss learning algorithms and their importance in different types of applications which includes training to identify important patterns and features in a straightforward, easy-to-understand manner. We will review the…

Polymers, integral to advancements in high-tech fields, necessitate the study of their thermal conductivity (TC) to enhance material attributes and energy efficiency. The TC of polymers obtained by molecular dynamics (MD) calculations and…

Deep learning (DL), a new-generation of artificial neural network research, has transformed industries, daily lives and various scientific disciplines in recent years. DL represents significant progress in the ability of neural networks to…

Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are still challenges associated with developing a solubility…

The inapplicability of amino acid covariation methods to small protein families has limited their use for structural annotation of whole genomes. Recently, deep learning has shown promise in allowing accurate residue-residue contact…

Decentralized learning (DL) has gained prominence for its potential benefits in terms of scalability, privacy, and fault tolerance. It consists of many nodes that coordinate without a central server and exchange millions of parameters in…

Topological Data Analysis (TDA) has emerged as a powerful framework for extracting robust, multiscale, and interpretable features from complex molecular data for artificial intelligence (AI) modeling and topological deep learning (TDL).…