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Applying machine learning (ML) (including deep learning) methods to the study of quantum systems is an emergent area of physics research.A basic example of this is quantum state tomography, where a quantum state is learned from measurement. [1]
Computational chemistry can help predict values like activation energy from catalysis. The presence of the catalyst opens a different reaction pathway (shown in red) with lower activation energy. The final result and the overall thermodynamics are the same. Computational chemistry is a tool for analyzing catalytic systems without doing experiments.
Natural language processing (NLP) is a subfield of computer science and especially artificial intelligence.It is primarily concerned with providing computers with the ability to process data encoded in natural language and is thus closely related to information retrieval, knowledge representation and computational linguistics, a subfield of linguistics.
Artificial intelligence (AI), in its broadest sense, is intelligence exhibited by machines, particularly computer systems.It is a field of research in computer science that develops and studies methods and software that enable machines to perceive their environment and use learning and intelligence to take actions that maximize their chances of achieving defined goals. [1]
Neural networks are typically trained through empirical risk minimization.This method is based on the idea of optimizing the network's parameters to minimize the difference, or empirical risk, between the predicted output and the actual target values in a given dataset. [4]
Machine learning (ML) is a field of study in artificial intelligence concerned with the development and study of statistical algorithms that can learn from data and generalize to unseen data, and thus perform tasks without explicit instructions. [1]
In machine learning, knowledge distillation or model distillation is the process of transferring knowledge from a large model to a smaller one. While large models (such as very deep neural networks or ensembles of many models) have more knowledge capacity than small models, this capacity might not be fully utilized.
Definition of an ontology – taxonomy – of concepts needed to describe tasks in the topic addressed. Each concept and all their attributes are defined in natural-language words. This ontology will define the data structures the NLP can use in sentences. Definition of one or more top-level sentences in terms of concepts from the ontology.