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This article discusses applications of Bayesian machine learning for quantum molecular dynamics. One particular formulation of quantum dynamics advocated here is in the form of a machine learning simulator of the Schr\"{o}dinger equation.…

Chemical Physics · Physics 2019-07-24 R. V. Krems

Machine Learning models incorporating multiple layered learning networks have been seen to provide effective models for various classification problems. The resulting optimization problem to solve for the optimal vector minimizing the…

Optimization and Control · Mathematics 2018-07-03 Vyacheslav Kungurtsev , Tomas Pevny

Quantum machine learning researchers often rely on incorporating Tensor Networks (TN) into Deep Neural Networks (DNN) and variational optimization. However, the standard optimization techniques used for training the contracted trainable…

Quantum Physics · Physics 2023-10-04 Debanjan Konar , Dheeraj Peddireddy , Vaneet Aggarwal , Bijaya K. Panigrahi

Orthogonal neural networks have recently been introduced as a new type of neural networks imposing orthogonality on the weight matrices. They could achieve higher accuracy and avoid evanescent or explosive gradients for deep architectures.…

Quantum Physics · Physics 2022-12-26 Iordanis Kerenidis , Jonas Landman , Natansh Mathur

The configuration interaction approach provides a conceptually simple and powerful approach to solve the Schr\"odinger equation for realistic molecules and materials but is characterized by an unfavourable scaling, which strongly limits its…

Chemical Physics · Physics 2022-08-16 B. Herzog , B. Casier , S. Lebègue , D. Rocca

A particle filtering approach is suggested for the training of multi-layer neural networks without utilizing gradients calculation. The network weights are considered to be the components of the estimated state-vector of a noise driven…

Optimization and Control · Mathematics 2020-10-13 Isaac Yaesh , Natan Grinfeld

Neural networks with binary weights are computation-efficient and hardware-friendly, but their training is challenging because it involves a discrete optimization problem. Surprisingly, ignoring the discrete nature of the problem and using…

Machine Learning · Computer Science 2020-08-19 Xiangming Meng , Roman Bachmann , Mohammad Emtiyaz Khan

Modern machine learning (ML) systems excel in recognising and classifying images with remarkable accuracy. However, like many computer software systems, they can fail by generating confusing or erroneous outputs or by deferring to human…

Machine Learning · Computer Science 2024-12-12 Milan Maksimovic , Ivan S. Maksymov

Scaling up quantum computing devices requires solving ever more complex quantum control tasks. Machine learning has been proposed as a promising approach to tackle the resulting challenges. However, experimental implementations are still…

Artificial neural networks bridge input data into output results by approximately encoding the function that relates them. This is achieved after training the network with a collection of known inputs and results leading to an adjustment of…

Quantum Physics · Physics 2021-09-01 Yue Ban , Javier Echanobe , Yongcheng Ding , Ricardo Puebla , Jorge Casanova

Quantum neural networks (QNNs) provide expressive probabilistic models by leveraging quantum superposition and entanglement, yet their practical training remains challenging due to highly oscillatory loss landscapes and noise inherent to…

Quantum Physics · Physics 2026-01-26 Jaemin Seo

In this paper we consider utilizing a residual neural network (ResNet) to solve ordinary differential equations. Stochastic gradient descent method is applied to obtain the optimal parameter set of weights and biases of the network. We…

Numerical Analysis · Mathematics 2021-01-12 Changxin Qiu , Aaron Bendickson , Joshua Kalyanapu , Jue Yan

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman

Neural networks have achieved remarkable empirical performance, while the current theoretical analysis is not adequate for understanding their success, e.g., the Neural Tangent Kernel approach fails to capture their key feature learning…

Machine Learning · Computer Science 2023-10-20 Zhenmei Shi , Junyi Wei , Yingyu Liang

Hybrid quantum-classical algorithms appear to be the most promising approach for near-term quantum applications. An important bottleneck is the classical optimization loop, where the multiple local minima and the emergence of barren…

Quantum Physics · Physics 2024-10-23 Ioannis Kolotouros , Petros Wallden

Deep neural networks (DNNs) are quantized for efficient inference on resource-constrained platforms. However, training deep learning models with low-precision weights and activations involves a demanding optimization task, which calls for…

Machine Learning · Computer Science 2021-05-25 Ziang Long , Penghang Yin , Jack Xin

In this paper, we introduce a tensor neural network based machine learning method for solving the elliptic partial differential equations with random coefficients in a bounded physical domain. With the help of tensor product structure, we…

Numerical Analysis · Mathematics 2024-02-02 Hongtao Chen , Rui Fu , Yifan Wang , Hehu Xie

This paper highlights the possibility of creating quantum neural networks that are trained by Grover's Search Algorithm. The purpose of this work is to propose the concept of combining the training process of a neural network, which is…

Quantum Physics · Physics 2021-10-05 Cesar Borisovich Pronin , Andrey Vladimirovich Ostroukh

In recent years, advanced deep neural networks have required a large number of parameters for training. Therefore, finding a method to reduce the number of parameters has become crucial for achieving efficient training. This work proposes a…

Quantum networks are often modelled using Schroedinger operators on metric graphs. To give meaning to such models one has to know how to interpret the boundary conditions which match the wave functions at the graph vertices. In this article…

Mathematical Physics · Physics 2009-11-13 Pavel Exner , Olaf Post
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