Which Machine Learning techniques are most effective in Catalysis?
Several machine learning techniques have proven to be effective in catalysis, including supervised learning, unsupervised learning, and reinforcement learning. Supervised learning, which involves training a model on labeled data, is often used for property prediction and classification tasks. Unsupervised learning, which deals with unlabeled data, is useful for clustering and feature extraction. Reinforcement learning can optimize sequential decision-making processes, such as reaction optimization.