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Register a new userA high-bias, low-variance introduction to Machine Learning for physicists
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Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily understood and intuitive to physicists. The review begins by covering fundamental concepts in ML and modern statistics such as the bias-variance tradeoff, overfitting, regularization, generalization, and gradient descent before moving on to more advanced topics in both supervised and unsupervised learning. Topics covered in the review include ensemble models, deep learning and neural networks, clustering and data visualization, energy-based models (including MaxEnt models and Restricted Boltzmann Machines), and variational methods. Throughout, we emphasize the many natural connections between ML and statistical physics. A notable aspect of the review is the use of Python Jupyter notebooks to introduce modern ML/statistical packages to readers using physics-inspired datasets (the Ising Model and Monte-Carlo simulations of supersymmetric decays of proton-proton collisions). We conclude with an extended outlook discussing possible uses of machine learning for furthering our understanding of the physical world as well as open problems in ML where physicists may be able to contribute. (Notebooks are available at https://physics.bu.edu/~pankajm/MLnotebooks.html )
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This pair of CAS lectures gives an introduction for accelerator physics students to the framework and terminology of machine learning (ML). We start by introducing the language of ML through a simple example of linear regression, including a probabilistic perspective to introduce the concepts of maximum likelihood estimation (MLE) and maximum a priori (MAP) estimation. We then apply the concepts to examples of neural networks and logistic regression. Next we introduce non-parametric models and the kernel method and give a brief introduction to two other machine learning paradigms, unsupervised and reinforcement learning. Finally we close with example applications of ML at a free-electron laser.
Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vision and natural language processing, its development in molecular modeling and simulations is still at an early stage, largely because the inductive biases of molecules are completely different from those of images or texts. Footed on these differences, we first reviewed the limitations of traditional deep learning models from the perspective of molecular physics, and wrapped up some relevant technical advancement at the interface between molecular modeling and deep learning. We do not focus merely on the ever more complex neural network models, instead, we emphasize the theories and ideas behind modern deep learning. We hope that transacting these ideas into molecular modeling will create new opportunities. For this purpose, we summarized several representative applications, ranging from supervised to unsupervised and reinforcement learning, and discussed their connections with the emerging trends in deep learning. Finally, we outlook promising directions which may help address the existing issues in the current framework of deep molecular modeling.
Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT industry. In the last couple of years, researchers investigated if quantum computing can help to improve classical machine learning algorithms. Ideas range from running computationally costly algorithms or their subroutines efficiently on a quantum computer to the translation of stochastic methods into the language of quantum theory. This contribution gives a systematic overview of the emerging field of quantum machine learning. It presents the approaches as well as technical details in an accessable way, and discusses the potential of a future theory of quantum learning.
Prior studies have unveiled the vulnerability of the deep neural networks in the context of adversarial machine learning, leading to great recent attention into this area. One interesting question that has yet to be fully explored is the bias-variance relationship of adversarial machine learning, which can potentially provide deeper insights into this behaviour. The notion of bias and variance is one of the main approaches to analyze and evaluate the generalization and reliability of a machine learning model. Although it has been extensively used in other machine learning models, it is not well explored in the field of deep learning and it is even less explored in the area of adversarial machine learning. In this study, we investigate the effect of adversarial machine learning on the bias and variance of a trained deep neural network and analyze how adversarial perturbations can affect the generalization of a network. We derive the bias-variance trade-off for both classification and regression applications based on two main loss functions: (i) mean squared error (MSE), and (ii) cross-entropy. Furthermore, we perform quantitative analysis with both simulated and real data to empirically evaluate consistency with the derived bias-variance tradeoffs. Our analysis sheds light on why the deep neural networks have poor performance under adversarial perturbation from a bias-variance point of view and how this type of perturbation would change the performance of a network. Moreover, given these new theoretical findings, we introduce a new adversarial machine learning algorithm with lower computational complexity than well-known adversarial machine learning strategies (e.g., PGD) while providing a high success rate in fooling deep neural networks in lower perturbation magnitudes.
This notebook tutorial demonstrates a method for sampling Boltzmann distributions of lattice field theories using a class of machine learning models known as normalizing flows. The ideas and approaches proposed in arXiv:1904.12072, arXiv:2002.02428, and arXiv:2003.06413 are reviewed and a concrete implementation of the framework is presented. We apply this framework to a lattice scalar field theory and to U(1) gauge theory, explicitly encoding gauge symmetries in the flow-based approach to the latter. This presentation is intended to be interactive and working with the attached Jupyter notebook is recommended.
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