Deep Learning
摘要
In this chapter, we discuss advanced deep learning algorithms focusing on their application and impact in the field of machine learningMachine learning. We discuss the transformative impact of deep learning compared to classical approaches, which heavily rely on handcrafted features and hyperparameter tuning. To this extent, the chapter explores a rangeRange of advanced deep learning modelsModels, including Convolutional Neural Networks (CNNs) for materials image analysis, Long Short-Term Memory networks (LSTMs) for sequential materials data, Generative Adversarial Networks (GANs) for generating new material structures, Graph Neural Networks (GNNs) for analyzing materials graphs, Variational Autoencoders (VAEs) for materials representation learning, and Reinforcement LearningReinforcement learning (RL) which has been widely used in materials domain. Each modelModels is presented with a detailed explanation of its underlying principles, architectures, and training methodologies. By exploring these advanced deep learning techniques, researchers and practitioners in the field of materials can gain valuable insights into leveraging deep learning modelsModels to accelerate the exploration of novel materials and optimize material properties.