中文
相关论文

相关论文: Autoregressive neural-network wavefunctions for ab…

200 篇论文

Nuclear quantum many-body methods rely on integral transform techniques to infer properties of electroweak response functions from ground-state expectation values. Retrieving the energy dependence of these responses is highly non-trivial,…

核理论 · 物理学 2023-10-31 K. Raghavan , A. Lovato

We discuss differences and similarities between variational Monte Carlo approaches that use conventional and artificial neural network parameterizations of the ground-state wave function for systems of fermions. We focus on a relatively…

介观与纳米尺度物理 · 物理学 2025-01-13 Even M. Nordhagen , Jane M. Kim , Bryce Fore , Alessandro Lovato , Morten Hjorth-Jensen

We present a novel deep learning-based algorithm to accelerate - through the use of Artificial Neural Networks (ANNs) - the convergence of Algebraic Multigrid (AMG) methods for the iterative solution of the linear systems of equations…

数值分析 · 数学 2025-06-18 Paola F. Antonietti , Matteo Caldana , Luca Dede'

The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…

化学物理 · 物理学 2022-06-29 Andrea Grisafi , Alan M. Lewis , Mariana Rossi , Michele Ceriotti

Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…

无序系统与神经网络 · 物理学 2024-08-19 Matija Medvidović , Javier Robledo Moreno

The main approach to hybrid quantum-classical neural networks (QNN) is employing quantum computing to build a neural network (NN) that has quantum features, which is then optimized classically. Here, we propose a different strategy: to use…

量子物理 · 物理学 2025-04-22 Stefan-Alexandru Jura , Mihai Udrescu

This paper presents a novel predictive maintenance framework centered on Enhanced Quantile Regression Neural Networks EQRNNs, for anticipating system failures in industrial robotics. We address the challenge of early failure detection…

机器人学 · 计算机科学 2025-01-10 David J Poland

Recurrent neural networks (RNNs) are a class of neural networks that have emerged from the paradigm of artificial intelligence and has enabled lots of interesting advances in the field of natural language processing. Interestingly, these…

无序系统与神经网络 · 物理学 2024-01-17 Mohamed Hibat-Allah , Roger G. Melko , Juan Carrasquilla

We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…

量子物理 · 物理学 2021-05-12 Chee-Kong Lee , Pranay Patil , Shengyu Zhang , Chang-Yu Hsieh

Artificial Neural Networks (ANNs) are one of the most widely employed forms of bio-inspired computation. However the current trend is for ANNs to be structurally homogeneous. Furthermore, this structural homogeneity requires the application…

The near-critical unitary dynamics of quantum Ising spin chains in transversal and longitudinal magnetic fields is studied using an artificial neural network representation of the wave function. A focus is set on strong spatial correlations…

量子物理 · 物理学 2018-08-08 Stefanie Czischek , Martin Gärttner , Thomas Gasenzer

Due to the strong correlations present in quantum systems, classical machine learning algorithms like stochastic gradient descent are often insufficient for the training of neural network quantum states (NQSs). These difficulties can be…

量子物理 · 物理学 2021-04-23 J. Thorben Frank , Michael J. Kastoryano

The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…

化学物理 · 物理学 2024-04-26 Hugh G. A. Burton

Deployment of deep neural networks in resource-constrained embedded systems requires innovative algorithmic solutions to facilitate their energy and memory efficiency. To further ensure the reliability of these systems against malicious…

神经与进化计算 · 计算机科学 2025-05-23 Mathias Schmolli , Maximilian Baronig , Robert Legenstein , Ozan Özdenizci

Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…

Recent advances in artificial intelligence have highlighted the remarkable capabilities of neural network (NN)-powered systems on classical computers. However, these systems face significant computational challenges that limit scalability…

量子物理 · 物理学 2026-05-08 Erik L. Connerty , Ethan N. Evans , Gerasimos Angelatos , Vignesh Narayanan

Deep neural networks have become a highly accurate and powerful wavefunction ansatz in combination with variational Monte Carlo methods for solving the electronic Schr\"odinger equation. However, despite their success and favorable scaling,…

计算物理 · 物理学 2023-03-20 Michael Scherbela , Leon Gerard , Philipp Grohs

The remarkable success of deep neural networks (DNNs) in various applications is accompanied by a significant increase in network parameters and arithmetic operations. Such increases in memory and computational demands make deep learning…

机器学习 · 计算机科学 2024-06-07 Daniel Becking , Maximilian Dreyer , Wojciech Samek , Karsten Müller , Sebastian Lapuschkin

We examine the usefulness of applying neural networks as a variational state ansatz for many-body quantum systems in the context of quantum information-processing tasks. In the neural network state ansatz, the complex amplitude function of…

量子物理 · 物理学 2020-02-06 Johannes Bausch , Felix Leditzky

Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.…

化学物理 · 物理学 2022-12-23 Silvan Käser , Luis Itza Vazquez-Salazar , Markus Meuwly , Kai Töpfer