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Variational Monte Carlo (VMC) combined with expressive neural network wavefunctions has become a powerful route to high-accuracy ground-state calculations, yet its practical success hinges on efficient and stable wavefunction optimization.…

Optimization and Control · Mathematics 2026-04-21 Yuyang Wang , Xin Liu

Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start…

Quantum Physics · Physics 2023-03-21 Youle Wang , Chenghong Zhu , Mingrui Jing , Xin Wang

Restart techniques are common in gradient-free optimization to deal with multimodal functions. Partial warm restarts are also gaining popularity in gradient-based optimization to improve the rate of convergence in accelerated gradient…

Machine Learning · Computer Science 2017-05-04 Ilya Loshchilov , Frank Hutter

Deep learning is a powerful tool to represent subgrid processes in climate models, but many application cases have so far used idealized settings and deterministic approaches. Here, we develop stochastic parameterizations with calibrated…

Being the most classical generative model for serial data, state-space models (SSM) are fundamental in AI and statistical machine learning. In SSM, any form of parameter learning or latent state inference typically involves the computation…

Machine Learning · Statistics 2024-07-04 Alessandro Mastrototaro , Jimmy Olsson

The possibility to simulate the properties of many-body open quantum systems with a large number of degrees of freedom is the premise to the solution of several outstanding problems in quantum science and quantum information. The challenge…

Quantum Physics · Physics 2019-07-03 Alexandra Nagy , Vincenzo Savona

Precoding design based on weighted sum-rate (WSR) maximization is a fundamental problem in downlink multi-user multiple-input multiple-output (MU-MIMO) systems. While the weighted minimum mean-square error (WMMSE) algorithm is a standard…

Signal Processing · Electrical Eng. & Systems 2025-10-24 Xi Gao , Akang Wang , Junkai Zhang , Qihong Duan , Jiang Xue

Obtaining accurate solutions to the Schr\"odinger equation is the key challenge in computational quantum chemistry. Deep-learning-based Variational Monte Carlo (DL-VMC) has recently outperformed conventional approaches in terms of accuracy,…

Chemical Physics · Physics 2023-07-19 Michael Scherbela , Leon Gerard , Philipp Grohs

Variational Quantum Eigensolver (VQE) is widely used in near-term hardware. However, their performances remain limited by the poor trainability and are dependent on random parameter initialization. In this work, we propose a warm start…

Quantum Physics · Physics 2025-12-19 Yahui Chai , Karl Jansen , Stefan Kühn , Tim Schwägerl , Tobias Stollenwerk

In this paper, we introduce a new stochastic approximation (SA) type algorithm, namely the randomized stochastic gradient (RSG) method, for solving an important class of nonlinear (possibly nonconvex) stochastic programming (SP) problems.…

Optimization and Control · Mathematics 2015-10-27 Saeed Ghadimi , Guanghui Lan

Solving the quantum many-body Schr\"odinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum…

Computational Physics · Physics 2023-11-03 Kirill Neklyudov , Jannes Nys , Luca Thiede , Juan Carrasquilla , Qiang Liu , Max Welling , Alireza Makhzani

We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…

Strongly Correlated Electrons · Physics 2013-05-30 Eric Neuscamman , C. J. Umrigar , Garnet Kin-Lic Chan

The Variational Quantum Eigensolver (VQE) is a Variational Quantum Algorithm (VQA) to determine the ground state of quantum-mechanical systems. As a VQA, it makes use of a classical computer to optimize parameter values for its quantum…

Quantum Physics · Physics 2025-11-13 Felix Truger , Johanna Barzen , Frank Leymann , Julian Obst

This study addresses the inverse problem of parameter estimation for Stochastic Differential Equations (SDEs) by minimizing a regularized discrepancy functional via Stochastic Gradient Descent (SGD). To achieve computational efficiency, we…

Machine Learning · Statistics 2026-03-31 Francisco Delgado-Vences , José Julián Pavón-Español , Arelly Ornelas

We study the stochastic Riemannian gradient algorithm for matrix eigen-decomposition. The state-of-the-art stochastic Riemannian algorithm requires the learning rate to decay to zero and thus suffers from slow convergence and sub-optimal…

Machine Learning · Computer Science 2016-05-30 Zhiqiang Xu , Yiping Ke

Many Markov Chain Monte Carlo (MCMC) methods leverage gradient information of the potential function of target distribution to explore sample space efficiently. However, computing gradients can often be computationally expensive for large…

Machine Learning · Computer Science 2021-09-24 Ruilin Li , Xin Wang , Hongyuan Zha , Molei Tao

In this paper, we proposed a new technique, {\em variance controlled stochastic gradient} (VCSG), to improve the performance of the stochastic variance reduced gradient (SVRG) algorithm. To avoid over-reducing the variance of gradient by…

Machine Learning · Computer Science 2021-02-22 Jia Bi , Steve R. Gunn

In this work, we propose a decoupled support vector regression (SVR) approach for direct canonical polyadic decomposition (CPD) of a potential energy surface (PES) through a set of discrete training energy data. This approach, denoted by…

Chemical Physics · Physics 2024-11-01 Zekai Miao , Xingyu Zhang , Qingfei Song , Qingyong Meng

The study of variational quantum algorithms (VQCs) has received significant attention from the quantum computing community in recent years. These hybrid algorithms, utilizing both classical and quantum components, are well-suited for noisy…

Deep learning has been used to image compressive sensing (CS) for enhanced reconstruction performance. However, most existing deep learning methods train different models for different subsampling ratios, which brings additional hardware…

Computer Vision and Pattern Recognition · Computer Science 2021-01-25 Zhonghao Zhang , Yipeng Liu , Xingyu Cao , Fei Wen , Ce Zhu
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