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Lecture

Quantum Machine Learning: Theory and Applications

In course

PHYS-754: Lecture series on scientific machine learning

This lecture presents ongoing work on how scientific questions can be tackled using machine learning. Machine learning enables extracting knowledge from data computationally and in an automatized way. We will learn on examples how this is influencing the v ...

Description

This lecture, co-designed by the instructor and their postdoc, delves into the realm of quantum machine learning, exploring the interplay between machine learning theory and quantum physics. The lecture covers the journey from data to information, knowledge, and wisdom, emphasizing the importance of both inductive and deductive reasoning. Various representations of molecules, such as Coulomb Matrix and Spectrum of Lennard-Jones or Taylor, are discussed, along with the use of kernel regression to address non-linearity. The lecture also touches upon the challenges of injectivity in representations and the significance of covariant kernels in incorporating physics into machine learning models.

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Instructors (10)

Paolo De Los Rios

Paolo De Los Rios earned his master in Electronic Engineering at the Turin Institute of Technology (Politecnico di Torino) in May 1993. In November 1993 he moved to Trieste, Italy, to enter the PhD program in Theoretical Condensed Matter Theory at the International School for Advanced Studies (SISSA/ISAS) where he obtained the PhD degree in October 1996 for his work on the statistical physics of disordered systems. After a one year postdoc at the Max-Planck Institute for the Physics of Complex Systems in Dresden, Germany, in November 1997 he moved to the University of Fribourg, Switzerland, to join the group of Prof. Yi-Cheng Zhang. There he has worked on various applications of statistical physics to complex systems. In September 2000 he has been appointed Assistant Professor in Statistical Physics of Living Matter and Complex Systems at the Institute of Theoretical Physics of the University of Lausanne, Switzerland. Since April 2010 he is Associate Professor at the Institute of Theoretical Physics of the Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland.

Michele Ceriotti

Michele Ceriotti received his Ph.D. in Physics from ETH Zürich in 2010. He spent three years in Oxford as a Junior Research Fellow at Merton College. Since 2013 he leads the laboratory for Computational Science and Modeling in the Institute of Materials at EPFL. His research revolves around the atomic-scale modelling of materials, based on the sampling of quantum and thermal fluctuations and on the use of machine learning to predict and rationalize structure-property relations. He has been awarded the IBM Research Forschungspreis in 2010, the Volker Heine Young Investigator Award in 2013, an ERC Starting Grant in 2016, and the IUPAP C10 Young Scientist Prize in 2018.

Anne-Florence Raphaëlle Bitbol

Lenka Zdeborová

Lenka Zdeborová is a Professor of Physics and of Computer Science in École Polytechnique Fédérale de Lausanne where she leads the Statistical Physics of Computation Laboratory. She received a PhD in physics from University Paris-Sud and from Charles University in Prague in 2008. She spent two years in the Los Alamos National Laboratory as the Director's Postdoctoral Fellow. Between 2010 and 2020 she was a researcher at CNRS working in the Institute of Theoretical Physics in CEA Saclay, France. In 2014, she was awarded the CNRS bronze medal, in 2016 Philippe Meyer prize in theoretical physics and an ERC Starting Grant, in 2018 the Irène Joliot-Curie prize, in 2021 the Gibbs lectureship of AMS. She is an editorial board member for Journal of Physics A, Physical Review E, Physical Review X, SIMODS, Machine Learning: Science and Technology, and Information and Inference. Lenka's expertise is in applications of concepts from statistical physics, such as advanced mean field methods, replica method and related message-passing algorithms, to problems in machine learning, signal processing, inference and optimization. She enjoys erasing the boundaries between theoretical physics, mathematics and computer science.

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Related concepts (28)

Inductive reasoning

Inductive reasoning is a method of reasoning in which a general principle is derived from a body of observations. It consists of making broad generalizations based on specific observations. Inductive reasoning is distinct from deductive reasoning, where the conclusion of a deductive argument is certain given the premises are correct; in contrast, the truth of the conclusion of an inductive argument is probable, based upon the evidence given.

Deductive reasoning

Deductive reasoning is the mental process of drawing deductive inferences. An inference is deductively valid if its conclusion follows logically from its premises, i.e. it is impossible for the premises to be true and the conclusion to be false. For example, the inference from the premises "all men are mortal" and "Socrates is a man" to the conclusion "Socrates is mortal" is deductively valid. An argument is sound if it is valid and all its premises are true.

Logical reasoning

Logical reasoning is a mental activity that aims to arrive at a conclusion in a rigorous way. It happens in the form of inferences or arguments by starting from a set of premises and reasoning to a conclusion supported by these premises. The premises and the conclusion are propositions, i.e. true or false claims about what is the case. Together, they form an argument. Logical reasoning is norm-governed in the sense that it aims to formulate correct arguments that any rational person would find convincing.

Psychology of reasoning

The psychology of reasoning (also known as the cognitive science of reasoning) is the study of how people reason, often broadly defined as the process of drawing conclusions to inform how people solve problems and make decisions. It overlaps with psychology, philosophy, linguistics, cognitive science, artificial intelligence, logic, and probability theory. Psychological experiments on how humans and other animals reason have been carried out for over 100 years. An enduring question is whether or not people have the capacity to be rational.

Machine learning

Machine learning (ML) is an umbrella term for solving problems for which development of algorithms by human programmers would be cost-prohibitive, and instead the problems are solved by helping machines 'discover' their 'own' algorithms, without needing to be explicitly told what to do by any human-developed algorithms. Recently, generative artificial neural networks have been able to surpass results of many previous approaches.

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