What Types of Machine Learning Algorithms are Used?
Several types of ML algorithms are utilized in catalysis, including:
Supervised learning: Algorithms like linear regression, support vector machines, and neural networks are used to predict catalyst performance based on labeled data. Unsupervised learning: Techniques such as clustering and dimensionality reduction help in identifying patterns and structures in data without predefined labels. Reinforcement learning: This approach is employed to optimize reaction pathways and conditions by learning from the outcomes of different experimental setups.
