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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]
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.
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]
[6] [7] [8] Each input sample is a graph representation of a molecule, where atoms form the nodes and chemical bonds between atoms form the edges. In addition to the graph representation, the input also includes known chemical properties for each of the atoms.
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]
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
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]
Natural-language programming (NLP) is an ontology-assisted way of programming in terms of natural-language sentences, e.g. English. [1] A structured document with Content, sections and subsections for explanations of sentences forms a NLP document, which is actually a computer program. Natural language programming is not to be mixed up with ...