5 accepted papers
Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a novel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the discovery and design of new solid-state materials. Inspired…
Recently, a variety of regularization techniques have been widely applied in deep neural networks, which mainly focus on the regularization of weight parameters to encourage generalization effectively. Label regularization techniques are also proposed with the motivation of softening the labels whil…
Many approaches have been proposed for time series forecasting, in light of its significance in wide applications including business demand prediction. However, the existing methods suffer from two key limitations. Firstly, most point prediction models only predict an exact value of each time step…
Predicting the price movement of finance securities like stocks is an important but challenging task, due to the uncertainty of financial markets. In this paper, we propose a novel approach based on the Transformer to tackle the stock movement prediction task. Furthermore, we present several enhance…
Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis, various retrosynthesis prediction algorithms have been propose…